smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(OC)c1O ZINC000264949671 201212798 /nfs/dbraw/zinc/21/27/98/201212798.db2.gz KCXHOWAYLIHGQT-UHFFFAOYSA-N 2 1 330.472 3.236 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000277175091 201300660 /nfs/dbraw/zinc/30/06/60/201300660.db2.gz HEOYHYPJLULGQX-INIZCTEOSA-N 2 1 332.488 3.352 20 30 EGEDMP Cc1cc2ncn(C[C@@H](O)CN(CCC#N)CC(C)(C)C)c2cc1C ZINC000111250663 454858695 /nfs/dbraw/zinc/85/86/95/454858695.db2.gz BHADVSOTIBGZHR-KRWDZBQOSA-N 2 1 342.487 3.276 20 30 EGEDMP C[C@@H](NC(=[NH2+])NCC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000271861728 455791033 /nfs/dbraw/zinc/79/10/33/455791033.db2.gz ZAIQBXACFXKDJC-LLVKDONJSA-N 2 1 341.286 3.221 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000271941203 455800678 /nfs/dbraw/zinc/80/06/78/455800678.db2.gz LSIIYYJIIMCHAO-QINHECLXSA-N 2 1 347.478 3.485 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000271941203 455800681 /nfs/dbraw/zinc/80/06/81/455800681.db2.gz LSIIYYJIIMCHAO-QINHECLXSA-N 2 1 347.478 3.485 20 30 EGEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426436174 457829793 /nfs/dbraw/zinc/82/97/93/457829793.db2.gz HFWJWZQDDINXSO-IBGZPJMESA-N 2 1 334.891 3.124 20 30 EGEDMP C=CC[N@@H+](CCc1ccco1)Cc1ccc(CN2CCOCC2)cc1 ZINC000420953240 458404273 /nfs/dbraw/zinc/40/42/73/458404273.db2.gz UWFVZSYCHLGSBW-UHFFFAOYSA-N 2 1 340.467 3.343 20 30 EGEDMP C=CC[N@H+](CCc1ccco1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420953240 458404277 /nfs/dbraw/zinc/40/42/77/458404277.db2.gz UWFVZSYCHLGSBW-UHFFFAOYSA-N 2 1 340.467 3.343 20 30 EGEDMP C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1c[nH+]ccc1N ZINC000423000161 458429465 /nfs/dbraw/zinc/42/94/65/458429465.db2.gz YVOFVKZUNRDNER-ODIFPOPNSA-N 2 1 336.439 3.407 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424386149 458631629 /nfs/dbraw/zinc/63/16/29/458631629.db2.gz XBCINPRWXKYYRG-INIZCTEOSA-N 2 1 330.472 3.224 20 30 EGEDMP C=CC[C@@H](C)[C@@H](C)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000558274280 459144160 /nfs/dbraw/zinc/14/41/60/459144160.db2.gz QDGYSHMGJGNNCF-HZPDHXFCSA-N 2 1 342.487 3.450 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000602647205 460042356 /nfs/dbraw/zinc/04/23/56/460042356.db2.gz WWBMDQQCYNFUNI-IEBWSBKVSA-N 2 1 333.520 3.472 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000619295327 460322777 /nfs/dbraw/zinc/32/27/77/460322777.db2.gz RETPTTKSYSLHLP-SZPZYZBQSA-N 2 1 331.463 3.431 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000619295327 460322780 /nfs/dbraw/zinc/32/27/80/460322780.db2.gz RETPTTKSYSLHLP-SZPZYZBQSA-N 2 1 331.463 3.431 20 30 EGEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000619295327 460322788 /nfs/dbraw/zinc/32/27/88/460322788.db2.gz RETPTTKSYSLHLP-SZPZYZBQSA-N 2 1 331.463 3.431 20 30 EGEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000619295327 460322792 /nfs/dbraw/zinc/32/27/92/460322792.db2.gz RETPTTKSYSLHLP-SZPZYZBQSA-N 2 1 331.463 3.431 20 30 EGEDMP CCCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000740878238 576632920 /nfs/dbraw/zinc/63/29/20/576632920.db2.gz YZLKJXRZRBRKPN-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000742367083 576774225 /nfs/dbraw/zinc/77/42/25/576774225.db2.gz JLHRSTJOVNOSPP-CALCHBBNSA-N 2 1 329.488 3.415 20 30 EGEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104191498 1293020229 /nfs/dbraw/zinc/02/02/29/1293020229.db2.gz OZQOPWNLMOZDNH-LLVKDONJSA-N 2 1 332.370 3.042 20 30 EGEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160692474 1294275213 /nfs/dbraw/zinc/27/52/13/1294275213.db2.gz HCODEMIICJYOCO-GFCCVEGCSA-N 2 1 344.381 3.044 20 30 EGEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCCCCC1 ZINC000195291595 1296054806 /nfs/dbraw/zinc/05/48/06/1296054806.db2.gz QRWDPXXLAUZDBW-SFHVURJKSA-N 2 1 328.504 3.136 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])NCC1CCC1 ZINC000303771708 1296849130 /nfs/dbraw/zinc/84/91/30/1296849130.db2.gz CVWZFRIMBSWWCP-INIZCTEOSA-N 2 1 328.504 3.265 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NCC2CCC2)C1 ZINC000303867685 1296862309 /nfs/dbraw/zinc/86/23/09/1296862309.db2.gz ADVKRDPSVHMPSQ-INIZCTEOSA-N 2 1 328.504 3.123 20 30 EGEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])Nc1ccc(OC)cc1)C(C)C ZINC000303878118 1296864527 /nfs/dbraw/zinc/86/45/27/1296864527.db2.gz FTRSMDLNJATYDV-GOSISDBHSA-N 2 1 330.476 3.120 20 30 EGEDMP CCCCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303882395 1296867057 /nfs/dbraw/zinc/86/70/57/1296867057.db2.gz LKNMIPGNPLHLGJ-LJQANCHMSA-N 2 1 330.520 3.036 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303883222 1296869347 /nfs/dbraw/zinc/86/93/47/1296869347.db2.gz ILXHCSOTKSHWFW-SFHVURJKSA-N 2 1 330.520 3.348 20 30 EGEDMP CC(C)CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000303898514 1296873567 /nfs/dbraw/zinc/87/35/67/1296873567.db2.gz QZWOLSUGWIKVMR-QGZVFWFLSA-N 2 1 330.520 3.369 20 30 EGEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000304747292 1296938798 /nfs/dbraw/zinc/93/87/98/1296938798.db2.gz GFSDJKWWQDWRCF-UHFFFAOYSA-N 2 1 344.381 3.186 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(O)c(OC)c1 ZINC000754735722 1300204425 /nfs/dbraw/zinc/20/44/25/1300204425.db2.gz ANFPUJSESKLWRK-GOSISDBHSA-N 2 1 344.499 3.293 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(O)c(OC)c1 ZINC000754735722 1300204435 /nfs/dbraw/zinc/20/44/35/1300204435.db2.gz ANFPUJSESKLWRK-GOSISDBHSA-N 2 1 344.499 3.293 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(O)c(OC)c1 ZINC000754735722 1300204445 /nfs/dbraw/zinc/20/44/45/1300204445.db2.gz ANFPUJSESKLWRK-GOSISDBHSA-N 2 1 344.499 3.293 20 30 EGEDMP C=CCOc1ccc(C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000762062037 1301605013 /nfs/dbraw/zinc/60/50/13/1301605013.db2.gz VCCYFYWDGMFYNC-LJQANCHMSA-N 2 1 346.515 3.309 20 30 EGEDMP C=CCOc1ccc(C[N@H+](C[C@H](O)C[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000762062037 1301605023 /nfs/dbraw/zinc/60/50/23/1301605023.db2.gz VCCYFYWDGMFYNC-LJQANCHMSA-N 2 1 346.515 3.309 20 30 EGEDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000902816057 1317619818 /nfs/dbraw/zinc/61/98/18/1317619818.db2.gz NPKCSIFFDDKFGO-VXKWHMMOSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000902816057 1317619824 /nfs/dbraw/zinc/61/98/24/1317619824.db2.gz NPKCSIFFDDKFGO-VXKWHMMOSA-N 2 1 349.478 3.236 20 30 EGEDMP CCC[N@H+]1CC[C@H](C[NH+]=C(NCc2ccccc2)NC(C)(C)C)C1 ZINC000912499665 1318895099 /nfs/dbraw/zinc/89/50/99/1318895099.db2.gz XXLNDFCAWDFSSX-GOSISDBHSA-N 2 1 330.520 3.252 20 30 EGEDMP C=CCSc1ccccc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843353834 1321505236 /nfs/dbraw/zinc/50/52/36/1321505236.db2.gz MFXWQJBVOAVABJ-UHFFFAOYSA-N 2 1 333.501 3.105 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849059143 1322061651 /nfs/dbraw/zinc/06/16/51/1322061651.db2.gz FUVQBBKZZJIENE-KDURUIRLSA-N 2 1 344.547 3.452 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440560 1323401839 /nfs/dbraw/zinc/40/18/39/1323401839.db2.gz RHWXKRHJNVPNIB-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440560 1323401845 /nfs/dbraw/zinc/40/18/45/1323401845.db2.gz RHWXKRHJNVPNIB-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440560 1323401851 /nfs/dbraw/zinc/40/18/51/1323401851.db2.gz RHWXKRHJNVPNIB-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617860 1323546764 /nfs/dbraw/zinc/54/67/64/1323546764.db2.gz LZPWHJLGFLAWCG-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617860 1323546770 /nfs/dbraw/zinc/54/67/70/1323546770.db2.gz LZPWHJLGFLAWCG-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617860 1323546779 /nfs/dbraw/zinc/54/67/79/1323546779.db2.gz LZPWHJLGFLAWCG-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231148 1324017850 /nfs/dbraw/zinc/01/78/50/1324017850.db2.gz GNYVEIFETYGJHM-RTBURBONSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025257646 1324064097 /nfs/dbraw/zinc/06/40/97/1324064097.db2.gz FMNXYNYZIBCPEB-OALUTQOASA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624070 1324475220 /nfs/dbraw/zinc/47/52/20/1324475220.db2.gz AYJJAXCJPWEOQH-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027470496 1327726646 /nfs/dbraw/zinc/72/66/46/1327726646.db2.gz RRMDJHAVSGUTDJ-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027470496 1327726649 /nfs/dbraw/zinc/72/66/49/1327726649.db2.gz RRMDJHAVSGUTDJ-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027470496 1327726655 /nfs/dbraw/zinc/72/66/55/1327726655.db2.gz RRMDJHAVSGUTDJ-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364178 1333495137 /nfs/dbraw/zinc/49/51/37/1333495137.db2.gz CEOWRQLPCMAARS-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364178 1333495138 /nfs/dbraw/zinc/49/51/38/1333495138.db2.gz CEOWRQLPCMAARS-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364178 1333495139 /nfs/dbraw/zinc/49/51/39/1333495139.db2.gz CEOWRQLPCMAARS-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711833 1333643716 /nfs/dbraw/zinc/64/37/16/1333643716.db2.gz USMOVBWQICSKCA-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711833 1333643719 /nfs/dbraw/zinc/64/37/19/1333643719.db2.gz USMOVBWQICSKCA-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711833 1333643723 /nfs/dbraw/zinc/64/37/23/1333643723.db2.gz USMOVBWQICSKCA-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687418 1336011760 /nfs/dbraw/zinc/01/17/60/1336011760.db2.gz ASXYLIDOOJFXPB-SJLPKXTDSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968856711 1336069769 /nfs/dbraw/zinc/06/97/69/1336069769.db2.gz NCKRQWYMQDFNBW-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968856711 1336069771 /nfs/dbraw/zinc/06/97/71/1336069771.db2.gz NCKRQWYMQDFNBW-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968856711 1336069773 /nfs/dbraw/zinc/06/97/73/1336069773.db2.gz NCKRQWYMQDFNBW-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936143 1336095593 /nfs/dbraw/zinc/09/55/93/1336095593.db2.gz BSIUNRNQLCXITC-SFHVURJKSA-N 2 1 340.471 3.275 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924749 1338771891 /nfs/dbraw/zinc/77/18/91/1338771891.db2.gz YEUHODHEQSXKRD-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573730 1341878932 /nfs/dbraw/zinc/87/89/32/1341878932.db2.gz IZHJSUSUDDKRNU-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573730 1341878933 /nfs/dbraw/zinc/87/89/33/1341878933.db2.gz IZHJSUSUDDKRNU-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573730 1341878935 /nfs/dbraw/zinc/87/89/35/1341878935.db2.gz IZHJSUSUDDKRNU-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210581 1342319843 /nfs/dbraw/zinc/31/98/43/1342319843.db2.gz IAUYMLUHOWRCIE-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210581 1342319844 /nfs/dbraw/zinc/31/98/44/1342319844.db2.gz IAUYMLUHOWRCIE-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210581 1342319847 /nfs/dbraw/zinc/31/98/47/1342319847.db2.gz IAUYMLUHOWRCIE-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034366589 1342436060 /nfs/dbraw/zinc/43/60/60/1342436060.db2.gz BQLZPWDDEVFRDK-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034366589 1342436064 /nfs/dbraw/zinc/43/60/64/1342436064.db2.gz BQLZPWDDEVFRDK-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034366589 1342436070 /nfs/dbraw/zinc/43/60/70/1342436070.db2.gz BQLZPWDDEVFRDK-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039284607 1344996554 /nfs/dbraw/zinc/99/65/54/1344996554.db2.gz XTWMJTQHYCNVSV-JLYLLQBASA-N 2 1 347.547 3.327 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199639 1345372551 /nfs/dbraw/zinc/37/25/51/1345372551.db2.gz AUCSMGRUWKWBMW-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199639 1345372555 /nfs/dbraw/zinc/37/25/55/1345372555.db2.gz AUCSMGRUWKWBMW-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199639 1345372557 /nfs/dbraw/zinc/37/25/57/1345372557.db2.gz AUCSMGRUWKWBMW-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040732735 1345572294 /nfs/dbraw/zinc/57/22/94/1345572294.db2.gz LONJFMLIZWNAJZ-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125204 1345950334 /nfs/dbraw/zinc/95/03/34/1345950334.db2.gz PLVASJILLSJPDG-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125204 1345950335 /nfs/dbraw/zinc/95/03/35/1345950335.db2.gz PLVASJILLSJPDG-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125204 1345950336 /nfs/dbraw/zinc/95/03/36/1345950336.db2.gz PLVASJILLSJPDG-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048529936 1347579663 /nfs/dbraw/zinc/57/96/63/1347579663.db2.gz YIVCXZBZOOPWKH-LJDSDSDDSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529936 1347579664 /nfs/dbraw/zinc/57/96/64/1347579664.db2.gz YIVCXZBZOOPWKH-LJDSDSDDSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048529936 1347579666 /nfs/dbraw/zinc/57/96/66/1347579666.db2.gz YIVCXZBZOOPWKH-LJDSDSDDSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049837814 1348050335 /nfs/dbraw/zinc/05/03/35/1348050335.db2.gz RUGKZWMPRHJPRM-XUVXKRRUSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049837814 1348050336 /nfs/dbraw/zinc/05/03/36/1348050336.db2.gz RUGKZWMPRHJPRM-XUVXKRRUSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049837814 1348050340 /nfs/dbraw/zinc/05/03/40/1348050340.db2.gz RUGKZWMPRHJPRM-XUVXKRRUSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049914872 1348109501 /nfs/dbraw/zinc/10/95/01/1348109501.db2.gz RMRFIWSXHDITSX-ZCNNSNEGSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052860013 1348706090 /nfs/dbraw/zinc/70/60/90/1348706090.db2.gz PIAADVLFIPATIH-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860013 1348706091 /nfs/dbraw/zinc/70/60/91/1348706091.db2.gz PIAADVLFIPATIH-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860013 1348706093 /nfs/dbraw/zinc/70/60/93/1348706093.db2.gz PIAADVLFIPATIH-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141747 1349153127 /nfs/dbraw/zinc/15/31/27/1349153127.db2.gz ORDPGCSHGPTUQF-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141747 1349153131 /nfs/dbraw/zinc/15/31/31/1349153131.db2.gz ORDPGCSHGPTUQF-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141747 1349153137 /nfs/dbraw/zinc/15/31/37/1349153137.db2.gz ORDPGCSHGPTUQF-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3CC)cc2C1 ZINC001054292356 1349297714 /nfs/dbraw/zinc/29/77/14/1349297714.db2.gz BBKKVMLZJVHAQG-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292356 1349297720 /nfs/dbraw/zinc/29/77/20/1349297720.db2.gz BBKKVMLZJVHAQG-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292356 1349297725 /nfs/dbraw/zinc/29/77/25/1349297725.db2.gz BBKKVMLZJVHAQG-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071897350 1355012434 /nfs/dbraw/zinc/01/24/34/1355012434.db2.gz MXERGUOJOOBXKX-YLJYHZDGSA-N 2 1 343.515 3.297 20 30 EGEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183399439 1387306666 /nfs/dbraw/zinc/30/66/66/1387306666.db2.gz VHNHMTRVDMSWGW-YLJYHZDGSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085918989 1358879002 /nfs/dbraw/zinc/87/90/02/1358879002.db2.gz QKQYELVEHPKBIC-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918989 1358879006 /nfs/dbraw/zinc/87/90/06/1358879006.db2.gz QKQYELVEHPKBIC-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918989 1358879008 /nfs/dbraw/zinc/87/90/08/1358879008.db2.gz QKQYELVEHPKBIC-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001088394222 1359870518 /nfs/dbraw/zinc/87/05/18/1359870518.db2.gz ZVABPUIZRMCHHQ-SFHVURJKSA-N 2 1 346.519 3.334 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400825 1360400913 /nfs/dbraw/zinc/40/09/13/1360400913.db2.gz LIJOJWDFVDPLEW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400825 1360400914 /nfs/dbraw/zinc/40/09/14/1360400914.db2.gz LIJOJWDFVDPLEW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400825 1360400915 /nfs/dbraw/zinc/40/09/15/1360400915.db2.gz LIJOJWDFVDPLEW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089459685 1360446128 /nfs/dbraw/zinc/44/61/28/1360446128.db2.gz ZMASXBDQFOUEGC-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642381 1360555309 /nfs/dbraw/zinc/55/53/09/1360555309.db2.gz KOCFOVVHRWVOJX-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642381 1360555310 /nfs/dbraw/zinc/55/53/10/1360555310.db2.gz KOCFOVVHRWVOJX-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642381 1360555312 /nfs/dbraw/zinc/55/53/12/1360555312.db2.gz KOCFOVVHRWVOJX-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684031 1360589484 /nfs/dbraw/zinc/58/94/84/1360589484.db2.gz MTXMOLBILMFDFG-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684031 1360589487 /nfs/dbraw/zinc/58/94/87/1360589487.db2.gz MTXMOLBILMFDFG-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684031 1360589490 /nfs/dbraw/zinc/58/94/90/1360589490.db2.gz MTXMOLBILMFDFG-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430146 1361799575 /nfs/dbraw/zinc/79/95/75/1361799575.db2.gz DVLBVNXSLPRDSN-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430146 1361799576 /nfs/dbraw/zinc/79/95/76/1361799576.db2.gz DVLBVNXSLPRDSN-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430146 1361799579 /nfs/dbraw/zinc/79/95/79/1361799579.db2.gz DVLBVNXSLPRDSN-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912360 1362284975 /nfs/dbraw/zinc/28/49/75/1362284975.db2.gz SWZRHAMELSYYEC-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095912360 1362284978 /nfs/dbraw/zinc/28/49/78/1362284978.db2.gz SWZRHAMELSYYEC-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095912360 1362284982 /nfs/dbraw/zinc/28/49/82/1362284982.db2.gz SWZRHAMELSYYEC-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095912363 1362285261 /nfs/dbraw/zinc/28/52/61/1362285261.db2.gz SWZRHAMELSYYEC-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095912363 1362285265 /nfs/dbraw/zinc/28/52/65/1362285265.db2.gz SWZRHAMELSYYEC-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095912363 1362285271 /nfs/dbraw/zinc/28/52/71/1362285271.db2.gz SWZRHAMELSYYEC-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001096642777 1362613462 /nfs/dbraw/zinc/61/34/62/1362613462.db2.gz BANLKPCSLGADSZ-NJAFHUGGSA-N 2 1 345.487 3.033 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043846 1363206040 /nfs/dbraw/zinc/20/60/40/1363206040.db2.gz YSRONEKYFQDDSC-AQNXPRMDSA-N 2 1 341.499 3.050 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116499 1363633284 /nfs/dbraw/zinc/63/32/84/1363633284.db2.gz SDWATTHTWQPCPH-ROUUACIJSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153006 1363658313 /nfs/dbraw/zinc/65/83/13/1363658313.db2.gz CUVRIBOPSWZKDN-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099154555 1363660131 /nfs/dbraw/zinc/66/01/31/1363660131.db2.gz ZLAQRASXAQYLEL-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153973 1363660522 /nfs/dbraw/zinc/66/05/22/1363660522.db2.gz RJRHMYCCMNCDJM-MOPGFXCFSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001099194885 1363686294 /nfs/dbraw/zinc/68/62/94/1363686294.db2.gz UNNITTCFRXHLPF-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001099194885 1363686295 /nfs/dbraw/zinc/68/62/95/1363686295.db2.gz UNNITTCFRXHLPF-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001099194885 1363686297 /nfs/dbraw/zinc/68/62/97/1363686297.db2.gz UNNITTCFRXHLPF-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099339317 1363759739 /nfs/dbraw/zinc/75/97/39/1363759739.db2.gz GNRWHIBHHARFFM-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100332527 1364082396 /nfs/dbraw/zinc/08/23/96/1364082396.db2.gz FOMGEQJRNOBQFH-JLAWEPINSA-N 2 1 347.547 3.092 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364086 1364528814 /nfs/dbraw/zinc/52/88/14/1364528814.db2.gz MXWDBUGVHRGYFO-SBHAEUEKSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364086 1364528819 /nfs/dbraw/zinc/52/88/19/1364528819.db2.gz MXWDBUGVHRGYFO-SBHAEUEKSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001101364086 1364528822 /nfs/dbraw/zinc/52/88/22/1364528822.db2.gz MXWDBUGVHRGYFO-SBHAEUEKSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364420 1364528923 /nfs/dbraw/zinc/52/89/23/1364528923.db2.gz SUUXQFHOZJHCAI-SBHAEUEKSA-N 2 1 349.563 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364420 1364528927 /nfs/dbraw/zinc/52/89/27/1364528927.db2.gz SUUXQFHOZJHCAI-SBHAEUEKSA-N 2 1 349.563 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001101364420 1364528932 /nfs/dbraw/zinc/52/89/32/1364528932.db2.gz SUUXQFHOZJHCAI-SBHAEUEKSA-N 2 1 349.563 3.079 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101575010 1364629014 /nfs/dbraw/zinc/62/90/14/1364629014.db2.gz PEYRWNXBLPZDMN-IEBWSBKVSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190217 1364923932 /nfs/dbraw/zinc/92/39/32/1364923932.db2.gz WXMFNTNRIZBXJZ-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190217 1364923935 /nfs/dbraw/zinc/92/39/35/1364923935.db2.gz WXMFNTNRIZBXJZ-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190217 1364923937 /nfs/dbraw/zinc/92/39/37/1364923937.db2.gz WXMFNTNRIZBXJZ-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106726887 1366782200 /nfs/dbraw/zinc/78/22/00/1366782200.db2.gz CBJBTOLHFVZSAV-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435881 1366962761 /nfs/dbraw/zinc/96/27/61/1366962761.db2.gz DJBDWSQDUGSBGL-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435881 1366962762 /nfs/dbraw/zinc/96/27/62/1366962762.db2.gz DJBDWSQDUGSBGL-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435881 1366962764 /nfs/dbraw/zinc/96/27/64/1366962764.db2.gz DJBDWSQDUGSBGL-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307885 1367047991 /nfs/dbraw/zinc/04/79/91/1367047991.db2.gz GJQJXCARGFJRGA-MHORFTMASA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307885 1367047995 /nfs/dbraw/zinc/04/79/95/1367047995.db2.gz GJQJXCARGFJRGA-MHORFTMASA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643298 1367089675 /nfs/dbraw/zinc/08/96/75/1367089675.db2.gz GKXLNRLSBHIDIO-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646764 1367091529 /nfs/dbraw/zinc/09/15/29/1367091529.db2.gz UZRDFMUHDQSMEM-SVFBPWRDSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189872198 1367121688 /nfs/dbraw/zinc/12/16/88/1367121688.db2.gz UOYBJXISWXRGDL-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560388 1367528029 /nfs/dbraw/zinc/52/80/29/1367528029.db2.gz FAOIYICQNCPSSP-QZTJIDSGSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001110626635 1367874916 /nfs/dbraw/zinc/87/49/16/1367874916.db2.gz JTQCMDUMCCPKCO-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001110626635 1367874920 /nfs/dbraw/zinc/87/49/20/1367874920.db2.gz JTQCMDUMCCPKCO-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001110626635 1367874925 /nfs/dbraw/zinc/87/49/25/1367874925.db2.gz JTQCMDUMCCPKCO-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192905302 1367900953 /nfs/dbraw/zinc/90/09/53/1367900953.db2.gz DOFMUGXFPLCILA-RBUKOAKNSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905302 1367900956 /nfs/dbraw/zinc/90/09/56/1367900956.db2.gz DOFMUGXFPLCILA-RBUKOAKNSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905302 1367900957 /nfs/dbraw/zinc/90/09/57/1367900957.db2.gz DOFMUGXFPLCILA-RBUKOAKNSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389731 1368016982 /nfs/dbraw/zinc/01/69/82/1368016982.db2.gz HEQHYWDYCDCKSU-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389731 1368016987 /nfs/dbraw/zinc/01/69/87/1368016987.db2.gz HEQHYWDYCDCKSU-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389731 1368016989 /nfs/dbraw/zinc/01/69/89/1368016989.db2.gz HEQHYWDYCDCKSU-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388068 1368604641 /nfs/dbraw/zinc/60/46/41/1368604641.db2.gz ASOYPYJFJMGPBD-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388068 1368604645 /nfs/dbraw/zinc/60/46/45/1368604645.db2.gz ASOYPYJFJMGPBD-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388068 1368604647 /nfs/dbraw/zinc/60/46/47/1368604647.db2.gz ASOYPYJFJMGPBD-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197187493 1368762003 /nfs/dbraw/zinc/76/20/03/1368762003.db2.gz HFRJLYZGARZHBE-UHFFFAOYSA-N 2 1 339.568 3.469 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197187493 1368762008 /nfs/dbraw/zinc/76/20/08/1368762008.db2.gz HFRJLYZGARZHBE-UHFFFAOYSA-N 2 1 339.568 3.469 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197187493 1368762011 /nfs/dbraw/zinc/76/20/11/1368762011.db2.gz HFRJLYZGARZHBE-UHFFFAOYSA-N 2 1 339.568 3.469 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001197769781 1368892921 /nfs/dbraw/zinc/89/29/21/1368892921.db2.gz ZCYLVGDHNRDRSW-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001197769781 1368892926 /nfs/dbraw/zinc/89/29/26/1368892926.db2.gz ZCYLVGDHNRDRSW-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001197769781 1368892929 /nfs/dbraw/zinc/89/29/29/1368892929.db2.gz ZCYLVGDHNRDRSW-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112579131 1368935573 /nfs/dbraw/zinc/93/55/73/1368935573.db2.gz XWEAWQOCCXSFCU-DYXWJJEUSA-N 2 1 349.563 3.127 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605755 1387985495 /nfs/dbraw/zinc/98/54/95/1387985495.db2.gz SZHKRHHWBCYSLW-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C[NH+](C)Cc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001201390334 1369534368 /nfs/dbraw/zinc/53/43/68/1369534368.db2.gz WKQPGMWXNJIUOZ-UHFFFAOYSA-N 2 1 326.469 3.413 20 30 EGEDMP CCCCCCCCC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001201847629 1369633722 /nfs/dbraw/zinc/63/37/22/1369633722.db2.gz XRIVIPIVJSFOEN-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156394 1369702802 /nfs/dbraw/zinc/70/28/02/1369702802.db2.gz DSCQMEMCBMRPHB-FQEVSTJZSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001202973649 1369942920 /nfs/dbraw/zinc/94/29/20/1369942920.db2.gz LUFBCTRASIJUCE-SFHVURJKSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203035995 1369962859 /nfs/dbraw/zinc/96/28/59/1369962859.db2.gz IRPRBMUCNWWJPC-MOPGFXCFSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103807 1369984212 /nfs/dbraw/zinc/98/42/12/1369984212.db2.gz MIOVKJYJDWXZLO-ROUUACIJSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641638 1370198983 /nfs/dbraw/zinc/19/89/83/1370198983.db2.gz SPNIKJNCUKZJJW-RBUKOAKNSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203911140 1370311427 /nfs/dbraw/zinc/31/14/27/1370311427.db2.gz UGTCUFLHQZXKAU-YLJYHZDGSA-N 2 1 343.515 3.225 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571540 1370573825 /nfs/dbraw/zinc/57/38/25/1370573825.db2.gz DIXSZSDHXSNABT-IBGZPJMESA-N 2 1 349.563 3.339 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571931 1370574364 /nfs/dbraw/zinc/57/43/64/1370574364.db2.gz VOHPGSGPUPZDNA-LJQANCHMSA-N 2 1 349.563 3.339 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001206275492 1371009811 /nfs/dbraw/zinc/00/98/11/1371009811.db2.gz UGQBXWLIPAIGHN-GOSISDBHSA-N 2 1 337.552 3.127 20 30 EGEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001207487255 1371411280 /nfs/dbraw/zinc/41/12/80/1371411280.db2.gz VLPDYMQSJOCIAA-IBGZPJMESA-N 2 1 327.472 3.133 20 30 EGEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001207488195 1371411502 /nfs/dbraw/zinc/41/15/02/1371411502.db2.gz HUUNMPATPQIQTI-HXUWFJFHSA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010436 1371454042 /nfs/dbraw/zinc/45/40/42/1371454042.db2.gz RRBANKVZEPUFDC-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013102 1371567367 /nfs/dbraw/zinc/56/73/67/1371567367.db2.gz AESBJKGUZZNTKQ-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C#CCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001209262873 1372053773 /nfs/dbraw/zinc/05/37/73/1372053773.db2.gz BGJKIXYCIZDHCM-KRWDZBQOSA-N 2 1 332.513 3.217 20 30 EGEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001121919623 1372122583 /nfs/dbraw/zinc/12/25/83/1372122583.db2.gz XTNLRRKBQNEYAK-UHFFFAOYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183035 1372290090 /nfs/dbraw/zinc/29/00/90/1372290090.db2.gz KFJUSJHMJRVHJU-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633573 1372396183 /nfs/dbraw/zinc/39/61/83/1372396183.db2.gz FWRJIOWTQMPIIH-ROUUACIJSA-N 2 1 349.906 3.013 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001188151248 1388251118 /nfs/dbraw/zinc/25/11/18/1388251118.db2.gz SLXXILFHMKILHO-WOJBJXKFSA-N 2 1 345.531 3.450 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188665159 1388356696 /nfs/dbraw/zinc/35/66/96/1388356696.db2.gz YCEVVFDLLBFRDU-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188665159 1388356701 /nfs/dbraw/zinc/35/67/01/1388356701.db2.gz YCEVVFDLLBFRDU-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188665159 1388356706 /nfs/dbraw/zinc/35/67/06/1388356706.db2.gz YCEVVFDLLBFRDU-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132090240 1375140295 /nfs/dbraw/zinc/14/02/95/1375140295.db2.gz FIWAXXSXDDBVTI-WMZOPIPTSA-N 2 1 334.508 3.282 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132090240 1375140296 /nfs/dbraw/zinc/14/02/96/1375140296.db2.gz FIWAXXSXDDBVTI-WMZOPIPTSA-N 2 1 334.508 3.282 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132090240 1375140298 /nfs/dbraw/zinc/14/02/98/1375140298.db2.gz FIWAXXSXDDBVTI-WMZOPIPTSA-N 2 1 334.508 3.282 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690806 1388361781 /nfs/dbraw/zinc/36/17/81/1388361781.db2.gz QUQLXMKYRHFORM-GBESFXJTSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001132354395 1375326970 /nfs/dbraw/zinc/32/69/70/1375326970.db2.gz LZGFGLDITBBDLI-FXAWDEMLSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380136 1375340800 /nfs/dbraw/zinc/34/08/00/1375340800.db2.gz FPJAZNCENKACIF-VQTJNVASSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437159 1375382382 /nfs/dbraw/zinc/38/23/82/1375382382.db2.gz QXLJJZLYDUSYMD-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132543165 1375450488 /nfs/dbraw/zinc/45/04/88/1375450488.db2.gz VWXHMGODQAZHNG-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132543165 1375450492 /nfs/dbraw/zinc/45/04/92/1375450492.db2.gz VWXHMGODQAZHNG-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132543165 1375450496 /nfs/dbraw/zinc/45/04/96/1375450496.db2.gz VWXHMGODQAZHNG-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132543165 1375450499 /nfs/dbraw/zinc/45/04/99/1375450499.db2.gz VWXHMGODQAZHNG-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227877029 1375485621 /nfs/dbraw/zinc/48/56/21/1375485621.db2.gz NJLTUOOCWCXRQU-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794834 1375568917 /nfs/dbraw/zinc/56/89/17/1375568917.db2.gz HMOOETHLCKIXDQ-IBGZPJMESA-N 2 1 337.552 3.460 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132977202 1375690873 /nfs/dbraw/zinc/69/08/73/1375690873.db2.gz KNLDXRKYYGIZTH-HKUYNNGSSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189110833 1388461560 /nfs/dbraw/zinc/46/15/60/1388461560.db2.gz UKGVDYBHUXKDSS-SLFFLAALSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481297 1377113936 /nfs/dbraw/zinc/11/39/36/1377113936.db2.gz SOKKNNAABUPCSO-RTBURBONSA-N 2 1 345.531 3.000 20 30 EGEDMP C=CCc1cccc(C[NH+]2CCC([N@H+](CC)[C@H]3CCOC3)CC2)c1O ZINC001138627593 1377756652 /nfs/dbraw/zinc/75/66/52/1377756652.db2.gz BECKWKDUFGRJJU-FQEVSTJZSA-N 2 1 344.499 3.196 20 30 EGEDMP C=CCc1cccc(C[NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)c1O ZINC001138627593 1377756655 /nfs/dbraw/zinc/75/66/55/1377756655.db2.gz BECKWKDUFGRJJU-FQEVSTJZSA-N 2 1 344.499 3.196 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC001140542697 1378081337 /nfs/dbraw/zinc/08/13/37/1378081337.db2.gz FEDNOEGLHZMXIL-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803619 1378142438 /nfs/dbraw/zinc/14/24/38/1378142438.db2.gz UMXFZVRWNHBJJS-FQEVSTJZSA-N 2 1 338.455 3.096 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803619 1378142444 /nfs/dbraw/zinc/14/24/44/1378142444.db2.gz UMXFZVRWNHBJJS-FQEVSTJZSA-N 2 1 338.455 3.096 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001156306605 1380555010 /nfs/dbraw/zinc/55/50/10/1380555010.db2.gz QZPAWBBHCSEXBU-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156306605 1380555011 /nfs/dbraw/zinc/55/50/11/1380555011.db2.gz QZPAWBBHCSEXBU-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156306605 1380555012 /nfs/dbraw/zinc/55/50/12/1380555012.db2.gz QZPAWBBHCSEXBU-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157091773 1380774060 /nfs/dbraw/zinc/77/40/60/1380774060.db2.gz AZDGPJSZIKGGSD-LJQANCHMSA-N 2 1 337.552 3.435 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158680713 1381349194 /nfs/dbraw/zinc/34/91/94/1381349194.db2.gz YBQUVFIENPCYMK-HXUWFJFHSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466808 1382113635 /nfs/dbraw/zinc/11/36/35/1382113635.db2.gz JKCVQELURIPUHR-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466808 1382113638 /nfs/dbraw/zinc/11/36/38/1382113638.db2.gz JKCVQELURIPUHR-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466808 1382113642 /nfs/dbraw/zinc/11/36/42/1382113642.db2.gz JKCVQELURIPUHR-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161084457 1382294141 /nfs/dbraw/zinc/29/41/41/1382294141.db2.gz LZSXNBIDQLUDEG-UHFFFAOYSA-N 2 1 349.563 3.437 20 30 EGEDMP C[C@H]1C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168103085 1383817963 /nfs/dbraw/zinc/81/79/63/1383817963.db2.gz RPAXAPPOWVMJDZ-MVJPYGJCSA-N 2 1 327.472 3.198 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133546 1384738873 /nfs/dbraw/zinc/73/88/73/1384738873.db2.gz SWVVURAIXCHRDX-RCLSDMTESA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133546 1384738880 /nfs/dbraw/zinc/73/88/80/1384738880.db2.gz SWVVURAIXCHRDX-RCLSDMTESA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133546 1384738882 /nfs/dbraw/zinc/73/88/82/1384738882.db2.gz SWVVURAIXCHRDX-RCLSDMTESA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133546 1384738889 /nfs/dbraw/zinc/73/88/89/1384738889.db2.gz SWVVURAIXCHRDX-RCLSDMTESA-N 2 1 339.483 3.417 20 30 EGEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001172498966 1384805310 /nfs/dbraw/zinc/80/53/10/1384805310.db2.gz PULLVBDDWQNZJR-SFHVURJKSA-N 2 1 326.488 3.452 20 30 EGEDMP CCCCCCC[C@@H](CCC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172501372 1384806391 /nfs/dbraw/zinc/80/63/91/1384806391.db2.gz HASTXQPKHGOLOV-GOSISDBHSA-N 2 1 325.541 3.269 20 30 EGEDMP N#CCC1CCC([N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173334431 1384960920 /nfs/dbraw/zinc/96/09/20/1384960920.db2.gz XIGCOGIABZHQHL-FPGXKEGCSA-N 2 1 338.499 3.308 20 30 EGEDMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335990 1384961446 /nfs/dbraw/zinc/96/14/46/1384961446.db2.gz JHNIFQWATYGHDP-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335990 1384961451 /nfs/dbraw/zinc/96/14/51/1384961451.db2.gz JHNIFQWATYGHDP-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335990 1384961456 /nfs/dbraw/zinc/96/14/56/1384961456.db2.gz JHNIFQWATYGHDP-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335990 1384961459 /nfs/dbraw/zinc/96/14/59/1384961459.db2.gz JHNIFQWATYGHDP-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(C)(C#N)CC1)C2 ZINC001173594345 1384983393 /nfs/dbraw/zinc/98/33/93/1384983393.db2.gz AEWIJMPOZOODKQ-WCHWRFHJSA-N 2 1 345.531 3.139 20 30 EGEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594345 1384983395 /nfs/dbraw/zinc/98/33/95/1384983395.db2.gz AEWIJMPOZOODKQ-WCHWRFHJSA-N 2 1 345.531 3.139 20 30 EGEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594345 1384983397 /nfs/dbraw/zinc/98/33/97/1384983397.db2.gz AEWIJMPOZOODKQ-WCHWRFHJSA-N 2 1 345.531 3.139 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCC=C ZINC001178722992 1386290273 /nfs/dbraw/zinc/29/02/73/1386290273.db2.gz ZVVSMFJUIFZTTQ-FQEVSTJZSA-N 2 1 347.547 3.097 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCC=C ZINC001178722992 1386290277 /nfs/dbraw/zinc/29/02/77/1386290277.db2.gz ZVVSMFJUIFZTTQ-FQEVSTJZSA-N 2 1 347.547 3.097 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178729370 1386291806 /nfs/dbraw/zinc/29/18/06/1386291806.db2.gz VSZWLVABNUUOGZ-MOPGFXCFSA-N 2 1 337.552 3.482 20 30 EGEDMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001713064388 1417622412 /nfs/dbraw/zinc/62/24/12/1417622412.db2.gz JVYRELYQFAGPKG-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001713064388 1417622415 /nfs/dbraw/zinc/62/24/15/1417622415.db2.gz JVYRELYQFAGPKG-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001713064388 1417622416 /nfs/dbraw/zinc/62/24/16/1417622416.db2.gz JVYRELYQFAGPKG-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753322841 1440364631 /nfs/dbraw/zinc/36/46/31/1440364631.db2.gz KFWKGICJZDHNLJ-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753322841 1440364632 /nfs/dbraw/zinc/36/46/32/1440364632.db2.gz KFWKGICJZDHNLJ-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001753322841 1440364633 /nfs/dbraw/zinc/36/46/33/1440364633.db2.gz KFWKGICJZDHNLJ-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001753322841 1440364634 /nfs/dbraw/zinc/36/46/34/1440364634.db2.gz KFWKGICJZDHNLJ-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001754731723 1440679749 /nfs/dbraw/zinc/67/97/49/1440679749.db2.gz XFLRIEDCNJLKNS-CTNGQTDRSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001755030920 1440731428 /nfs/dbraw/zinc/73/14/28/1440731428.db2.gz KIMDZVDFEAKZBT-ICSRJNTNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001755195047 1440776457 /nfs/dbraw/zinc/77/64/57/1440776457.db2.gz IFNXBDPNXJANDK-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001755195047 1440776458 /nfs/dbraw/zinc/77/64/58/1440776458.db2.gz IFNXBDPNXJANDK-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755195047 1440776459 /nfs/dbraw/zinc/77/64/59/1440776459.db2.gz IFNXBDPNXJANDK-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191331104 239044950 /nfs/dbraw/zinc/04/49/50/239044950.db2.gz KNYVNUZXTLYDSR-QRTHJKPMSA-N 2 1 336.483 3.143 20 30 EGEDMP C[N@H+](CCOc1ccccc1C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383094553 324255182 /nfs/dbraw/zinc/25/51/82/324255182.db2.gz XRJPDDYWPPYBCL-HXUWFJFHSA-N 2 1 349.478 3.391 20 30 EGEDMP C[N@@H+](CCOc1ccccc1C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383094553 324255186 /nfs/dbraw/zinc/25/51/86/324255186.db2.gz XRJPDDYWPPYBCL-HXUWFJFHSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1ccccc1C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383094553 324255193 /nfs/dbraw/zinc/25/51/93/324255193.db2.gz XRJPDDYWPPYBCL-HXUWFJFHSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1ccccc1C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383094553 324255196 /nfs/dbraw/zinc/25/51/96/324255196.db2.gz XRJPDDYWPPYBCL-HXUWFJFHSA-N 2 1 349.478 3.391 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123194756 454613167 /nfs/dbraw/zinc/61/31/67/454613167.db2.gz OUWVXJMMWLKSEI-IAGOWNOFSA-N 2 1 337.508 3.062 20 30 EGEDMP C#CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@H]1CCc2ccccc21 ZINC000177256583 454843103 /nfs/dbraw/zinc/84/31/03/454843103.db2.gz CPZBXLACOOFRHY-FQEVSTJZSA-N 2 1 328.419 3.390 20 30 EGEDMP C#CCN(Cc1ccc(-n2ccnc2)nc1)[C@H]1CCc2ccccc21 ZINC000177256583 454843105 /nfs/dbraw/zinc/84/31/05/454843105.db2.gz CPZBXLACOOFRHY-FQEVSTJZSA-N 2 1 328.419 3.390 20 30 EGEDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000181415754 455332466 /nfs/dbraw/zinc/33/24/66/455332466.db2.gz VDHBDFGCAIPDGX-KRWDZBQOSA-N 2 1 335.451 3.241 20 30 EGEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159304174 455368956 /nfs/dbraw/zinc/36/89/56/455368956.db2.gz BXVXQYQLFPDFDS-NJDAHSKKSA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159304174 455368963 /nfs/dbraw/zinc/36/89/63/455368963.db2.gz BXVXQYQLFPDFDS-NJDAHSKKSA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159304174 455368966 /nfs/dbraw/zinc/36/89/66/455368966.db2.gz BXVXQYQLFPDFDS-NJDAHSKKSA-N 2 1 328.500 3.300 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000247080484 455556616 /nfs/dbraw/zinc/55/66/16/455556616.db2.gz OVLQYFYKYXLZHJ-ZWOKBUDYSA-N 2 1 329.488 3.346 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268836322 455715482 /nfs/dbraw/zinc/71/54/82/455715482.db2.gz BKTADMBYDPQIES-GOSISDBHSA-N 2 1 343.515 3.214 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc(OC)c1O ZINC000290637495 456391631 /nfs/dbraw/zinc/39/16/31/456391631.db2.gz YIGHCNVVXLZBIU-ROUUACIJSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(OC)c1O ZINC000290637495 456391634 /nfs/dbraw/zinc/39/16/34/456391634.db2.gz YIGHCNVVXLZBIU-ROUUACIJSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc(OC)c1O ZINC000290637495 456391639 /nfs/dbraw/zinc/39/16/39/456391639.db2.gz YIGHCNVVXLZBIU-ROUUACIJSA-N 2 1 330.472 3.045 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000303003499 456441301 /nfs/dbraw/zinc/44/13/01/456441301.db2.gz IHTQMYRBHNIKLA-FQEVSTJZSA-N 2 1 341.499 3.381 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000303003499 456441309 /nfs/dbraw/zinc/44/13/09/456441309.db2.gz IHTQMYRBHNIKLA-FQEVSTJZSA-N 2 1 341.499 3.381 20 30 EGEDMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000282518479 456539596 /nfs/dbraw/zinc/53/95/96/456539596.db2.gz ZLITXYRXSZLPOF-HKUYNNGSSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000282518479 456539602 /nfs/dbraw/zinc/53/96/02/456539602.db2.gz ZLITXYRXSZLPOF-HKUYNNGSSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1C#N ZINC000282518479 456539607 /nfs/dbraw/zinc/53/96/07/456539607.db2.gz ZLITXYRXSZLPOF-HKUYNNGSSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C#N ZINC000282518479 456539614 /nfs/dbraw/zinc/53/96/14/456539614.db2.gz ZLITXYRXSZLPOF-HKUYNNGSSA-N 2 1 325.456 3.016 20 30 EGEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000345154626 456944500 /nfs/dbraw/zinc/94/45/00/456944500.db2.gz ADUXTIHTSFPZAF-UHFFFAOYSA-N 2 1 347.462 3.489 20 30 EGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000354280854 457170255 /nfs/dbraw/zinc/17/02/55/457170255.db2.gz OXVFHSXTZLEQMK-HXUWFJFHSA-N 2 1 343.515 3.054 20 30 EGEDMP Cc1cc(N2CCC([NH2+]C3CCC(C)(C#N)CC3)CC2)nc(C)[nH+]1 ZINC000332402220 457362524 /nfs/dbraw/zinc/36/25/24/457362524.db2.gz UNDSZYDMEITVQT-UHFFFAOYSA-N 2 1 327.476 3.124 20 30 EGEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370650706 457691307 /nfs/dbraw/zinc/69/13/07/457691307.db2.gz NBMIIQRZHRGLNS-HXUWFJFHSA-N 2 1 328.500 3.302 20 30 EGEDMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168997 459788105 /nfs/dbraw/zinc/78/81/05/459788105.db2.gz VNEWGAAFVNKHSO-QGZVFWFLSA-N 2 1 340.496 3.277 20 30 EGEDMP COc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000574391355 459812643 /nfs/dbraw/zinc/81/26/43/459812643.db2.gz XXHGBQUCNMUJOO-PNGKTBNWSA-N 2 1 327.472 3.408 20 30 EGEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000585725464 459837045 /nfs/dbraw/zinc/83/70/45/459837045.db2.gz PQDAGLWCZISUDA-UHFFFAOYSA-N 2 1 340.515 3.007 20 30 EGEDMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1)CC(C)C ZINC000598601247 459959245 /nfs/dbraw/zinc/95/92/45/459959245.db2.gz RWCCJYJUYUHHTP-IBGZPJMESA-N 2 1 337.552 3.367 20 30 EGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000611392259 460354004 /nfs/dbraw/zinc/35/40/04/460354004.db2.gz OWKDNYDDGMUMAJ-HXUWFJFHSA-N 2 1 339.483 3.170 20 30 EGEDMP C=CCOc1c(Cl)cc(CNC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000623411155 460533665 /nfs/dbraw/zinc/53/36/65/460533665.db2.gz VEROMWBUKQHDKU-AWEZNQCLSA-N 2 1 338.879 3.345 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000623411155 460533677 /nfs/dbraw/zinc/53/36/77/460533677.db2.gz VEROMWBUKQHDKU-AWEZNQCLSA-N 2 1 338.879 3.345 20 30 EGEDMP C=CC[C@@]1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000662826250 461383580 /nfs/dbraw/zinc/38/35/80/461383580.db2.gz XTNOJGBHGCXTEX-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C#CCN(C)CCC[NH2+][C@@H](CC)c1cc(Br)ccc1[O-] ZINC000328050268 1297253124 /nfs/dbraw/zinc/25/31/24/1297253124.db2.gz ZEKXFBBHYSZNRE-HNNXBMFYSA-N 2 1 339.277 3.151 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236688487 1296197971 /nfs/dbraw/zinc/19/79/71/1296197971.db2.gz NKYQBOFFTLKHNR-OAQYLSRUSA-N 2 1 348.490 3.353 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236688487 1296197975 /nfs/dbraw/zinc/19/79/75/1296197975.db2.gz NKYQBOFFTLKHNR-OAQYLSRUSA-N 2 1 348.490 3.353 20 30 EGEDMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000303866104 1296862988 /nfs/dbraw/zinc/86/29/88/1296862988.db2.gz CGKXVWISQMJIQR-INIZCTEOSA-N 2 1 348.491 3.085 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303887901 1296868219 /nfs/dbraw/zinc/86/82/19/1296868219.db2.gz OOIJRVLVEXFATL-MRXNPFEDSA-N 2 1 336.483 3.422 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303887901 1296868241 /nfs/dbraw/zinc/86/82/41/1296868241.db2.gz OOIJRVLVEXFATL-MRXNPFEDSA-N 2 1 336.483 3.422 20 30 EGEDMP COc1ccccc1[C@H](CNC(=[NH2+])NCCC(C)C)[NH+]1CCCCC1 ZINC000303886928 1296869097 /nfs/dbraw/zinc/86/90/97/1296869097.db2.gz KMYRQJAIXXOTPK-SFHVURJKSA-N 2 1 346.519 3.173 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000303891289 1296870823 /nfs/dbraw/zinc/87/08/23/1296870823.db2.gz MYXKNDBMFQXSLS-HZPDHXFCSA-N 2 1 332.492 3.463 20 30 EGEDMP C[C@H](NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000303968067 1296882146 /nfs/dbraw/zinc/88/21/46/1296882146.db2.gz AGEKYURMBBZYHY-QWRGUYRKSA-N 2 1 343.302 3.441 20 30 EGEDMP C[N@H+](Cc1cc(C#N)ccc1Br)CC1CC[NH+](C)CC1 ZINC000755003824 1300266460 /nfs/dbraw/zinc/26/64/60/1300266460.db2.gz YVOYTEMVIRVZPS-UHFFFAOYSA-N 2 1 336.277 3.094 20 30 EGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471270 1303119728 /nfs/dbraw/zinc/11/97/28/1303119728.db2.gz RQBBJLGVBINOTD-YLJYHZDGSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471270 1303119730 /nfs/dbraw/zinc/11/97/30/1303119730.db2.gz RQBBJLGVBINOTD-YLJYHZDGSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471270 1303119732 /nfs/dbraw/zinc/11/97/32/1303119732.db2.gz RQBBJLGVBINOTD-YLJYHZDGSA-N 2 1 328.504 3.341 20 30 EGEDMP C#CCCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769514302 1303133262 /nfs/dbraw/zinc/13/32/62/1303133262.db2.gz IYBXKBPMZWOQDA-FQEVSTJZSA-N 2 1 326.484 3.252 20 30 EGEDMP C#CCCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000769514302 1303133266 /nfs/dbraw/zinc/13/32/66/1303133266.db2.gz IYBXKBPMZWOQDA-FQEVSTJZSA-N 2 1 326.484 3.252 20 30 EGEDMP C#CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769514302 1303133270 /nfs/dbraw/zinc/13/32/70/1303133270.db2.gz IYBXKBPMZWOQDA-FQEVSTJZSA-N 2 1 326.484 3.252 20 30 EGEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769514302 1303133276 /nfs/dbraw/zinc/13/32/76/1303133276.db2.gz IYBXKBPMZWOQDA-FQEVSTJZSA-N 2 1 326.484 3.252 20 30 EGEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000809756416 1317892791 /nfs/dbraw/zinc/89/27/91/1317892791.db2.gz QELJTQOJDTWCGN-HXUWFJFHSA-N 2 1 326.484 3.252 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961374990 1319531256 /nfs/dbraw/zinc/53/12/56/1319531256.db2.gz NITRAVYPXFDCOL-UXHICEINSA-N 2 1 349.563 3.099 20 30 EGEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819079832 1319629784 /nfs/dbraw/zinc/62/97/84/1319629784.db2.gz WXFYCCWJNOLKPP-VGSWGCGISA-N 2 1 349.478 3.407 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769854 1319918024 /nfs/dbraw/zinc/91/80/24/1319918024.db2.gz ILDQKLZKHGZCJH-KRWDZBQOSA-N 2 1 347.503 3.139 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024523882 1323470446 /nfs/dbraw/zinc/47/04/46/1323470446.db2.gz RLVCRQDHWMEXGU-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523882 1323470449 /nfs/dbraw/zinc/47/04/49/1323470449.db2.gz RLVCRQDHWMEXGU-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523882 1323470453 /nfs/dbraw/zinc/47/04/53/1323470453.db2.gz RLVCRQDHWMEXGU-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431684 1324268824 /nfs/dbraw/zinc/26/88/24/1324268824.db2.gz BOORYVLPLHXERK-HZPDHXFCSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475302 1324320551 /nfs/dbraw/zinc/32/05/51/1324320551.db2.gz SPGXZKBHAZBWSR-FUHWJXTLSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628650 1324479090 /nfs/dbraw/zinc/47/90/90/1324479090.db2.gz SLKPBGTZMLPBEW-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347325 1325137771 /nfs/dbraw/zinc/13/77/71/1325137771.db2.gz QNNPDJLZJNQMHV-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000925812125 1325312265 /nfs/dbraw/zinc/31/22/65/1325312265.db2.gz HJVGKCOIAXDUPA-AZUAARDMSA-N 2 1 337.398 3.043 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108258 1328187833 /nfs/dbraw/zinc/18/78/33/1328187833.db2.gz WWNLQQHIXHLMOM-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C[Si](C)(CC[NH+]1CCC[C@@H](C#N)C1)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932150335 1329789216 /nfs/dbraw/zinc/78/92/16/1329789216.db2.gz BNGLUHCYPOWKCD-ROUUACIJSA-N 2 1 332.568 3.166 20 30 EGEDMP C[Si](C)(CC[NH+]1CCC[C@@H](C#N)C1)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932150335 1329789218 /nfs/dbraw/zinc/78/92/18/1329789218.db2.gz BNGLUHCYPOWKCD-ROUUACIJSA-N 2 1 332.568 3.166 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943519326 1332192773 /nfs/dbraw/zinc/19/27/73/1332192773.db2.gz WJDLLFZQPRXVAQ-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945338307 1332561220 /nfs/dbraw/zinc/56/12/20/1332561220.db2.gz ZSZRSNHTSNPTBZ-SJLPKXTDSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377047 1333502032 /nfs/dbraw/zinc/50/20/32/1333502032.db2.gz GEWPSMBBZFWDJI-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948377047 1333502034 /nfs/dbraw/zinc/50/20/34/1333502034.db2.gz GEWPSMBBZFWDJI-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948377047 1333502036 /nfs/dbraw/zinc/50/20/36/1333502036.db2.gz GEWPSMBBZFWDJI-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948852925 1333709831 /nfs/dbraw/zinc/70/98/31/1333709831.db2.gz YCBMNSQQTGYCBG-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888437 1336080941 /nfs/dbraw/zinc/08/09/41/1336080941.db2.gz VCNBUXQJTWOTNU-ZWKOTPCHSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888437 1336080943 /nfs/dbraw/zinc/08/09/43/1336080943.db2.gz VCNBUXQJTWOTNU-ZWKOTPCHSA-N 2 1 344.503 3.088 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969060005 1336133318 /nfs/dbraw/zinc/13/33/18/1336133318.db2.gz UVTCRUZXWOZLPU-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060005 1336133321 /nfs/dbraw/zinc/13/33/21/1336133321.db2.gz UVTCRUZXWOZLPU-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060005 1336133325 /nfs/dbraw/zinc/13/33/25/1336133325.db2.gz UVTCRUZXWOZLPU-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273778 1336811633 /nfs/dbraw/zinc/81/16/33/1336811633.db2.gz AHFLJEMJXHULDM-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008273778 1336811636 /nfs/dbraw/zinc/81/16/36/1336811636.db2.gz AHFLJEMJXHULDM-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008273778 1336811639 /nfs/dbraw/zinc/81/16/39/1336811639.db2.gz AHFLJEMJXHULDM-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285636 1342373541 /nfs/dbraw/zinc/37/35/41/1342373541.db2.gz ULRNRMZFHMXVRW-KRWDZBQOSA-N 2 1 340.471 3.193 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444296 1342504136 /nfs/dbraw/zinc/50/41/36/1342504136.db2.gz DWDPKPPBKRKVDX-FQEVSTJZSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193791 1343007483 /nfs/dbraw/zinc/00/74/83/1343007483.db2.gz OPGLVFUIUSOCEY-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193791 1343007488 /nfs/dbraw/zinc/00/74/88/1343007488.db2.gz OPGLVFUIUSOCEY-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193791 1343007490 /nfs/dbraw/zinc/00/74/90/1343007490.db2.gz OPGLVFUIUSOCEY-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241581 1344966774 /nfs/dbraw/zinc/96/67/74/1344966774.db2.gz DJHCXSCKLXAHCR-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382880 1345037100 /nfs/dbraw/zinc/03/71/00/1345037100.db2.gz OSQSYVINITUPPB-SJORKVTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039382880 1345037103 /nfs/dbraw/zinc/03/71/03/1345037103.db2.gz OSQSYVINITUPPB-SJORKVTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040489322 1345516684 /nfs/dbraw/zinc/51/66/84/1345516684.db2.gz OHJBUZBCVJXVGL-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040489322 1345516687 /nfs/dbraw/zinc/51/66/87/1345516687.db2.gz OHJBUZBCVJXVGL-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040489322 1345516691 /nfs/dbraw/zinc/51/66/91/1345516691.db2.gz OHJBUZBCVJXVGL-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125203 1345950346 /nfs/dbraw/zinc/95/03/46/1345950346.db2.gz PLVASJILLSJPDG-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125203 1345950347 /nfs/dbraw/zinc/95/03/47/1345950347.db2.gz PLVASJILLSJPDG-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125203 1345950348 /nfs/dbraw/zinc/95/03/48/1345950348.db2.gz PLVASJILLSJPDG-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958349 1346793423 /nfs/dbraw/zinc/79/34/23/1346793423.db2.gz QIFFWYRIOVUXEH-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985725 1346826477 /nfs/dbraw/zinc/82/64/77/1346826477.db2.gz ATGZUOQRQMBQSE-NRFANRHFSA-N 2 1 347.547 3.143 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049662331 1347961970 /nfs/dbraw/zinc/96/19/70/1347961970.db2.gz GRJMWFUZKMVIOR-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049662331 1347961972 /nfs/dbraw/zinc/96/19/72/1347961972.db2.gz GRJMWFUZKMVIOR-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049662331 1347961973 /nfs/dbraw/zinc/96/19/73/1347961973.db2.gz GRJMWFUZKMVIOR-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054245319 1349239412 /nfs/dbraw/zinc/23/94/12/1349239412.db2.gz RMHZTXOOPUTICY-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245319 1349239413 /nfs/dbraw/zinc/23/94/13/1349239413.db2.gz RMHZTXOOPUTICY-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245319 1349239414 /nfs/dbraw/zinc/23/94/14/1349239414.db2.gz RMHZTXOOPUTICY-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183255710 1387286473 /nfs/dbraw/zinc/28/64/73/1387286473.db2.gz NNGQURZWVXPJOP-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085352715 1358476590 /nfs/dbraw/zinc/47/65/90/1358476590.db2.gz TXTJKJWOKGBPGN-BRWVUGGUSA-N 2 1 341.927 3.019 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597745 1358623770 /nfs/dbraw/zinc/62/37/70/1358623770.db2.gz FHUKWJDGZKTZEQ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597745 1358623774 /nfs/dbraw/zinc/62/37/74/1358623774.db2.gz FHUKWJDGZKTZEQ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597745 1358623777 /nfs/dbraw/zinc/62/37/77/1358623777.db2.gz FHUKWJDGZKTZEQ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784614 1359201379 /nfs/dbraw/zinc/20/13/79/1359201379.db2.gz GKSXMAQVKLZDMC-NLWGTHIKSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088395025 1359870960 /nfs/dbraw/zinc/87/09/60/1359870960.db2.gz VCLCHVGVDWAYCQ-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390942 1360391733 /nfs/dbraw/zinc/39/17/33/1360391733.db2.gz JLPOCNUQCCJUPW-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390942 1360391736 /nfs/dbraw/zinc/39/17/36/1360391736.db2.gz JLPOCNUQCCJUPW-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390942 1360391747 /nfs/dbraw/zinc/39/17/47/1360391747.db2.gz JLPOCNUQCCJUPW-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565444 1360511979 /nfs/dbraw/zinc/51/19/79/1360511979.db2.gz SDXONRSMJDLABR-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565444 1360511980 /nfs/dbraw/zinc/51/19/80/1360511980.db2.gz SDXONRSMJDLABR-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565444 1360511982 /nfs/dbraw/zinc/51/19/82/1360511982.db2.gz SDXONRSMJDLABR-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089707619 1360610847 /nfs/dbraw/zinc/61/08/47/1360610847.db2.gz OPLPKKKOBJXRNB-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089707619 1360610849 /nfs/dbraw/zinc/61/08/49/1360610849.db2.gz OPLPKKKOBJXRNB-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089707619 1360610853 /nfs/dbraw/zinc/61/08/53/1360610853.db2.gz OPLPKKKOBJXRNB-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089733794 1360638015 /nfs/dbraw/zinc/63/80/15/1360638015.db2.gz BUVKMXYRLOWUMN-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089733794 1360638017 /nfs/dbraw/zinc/63/80/17/1360638017.db2.gz BUVKMXYRLOWUMN-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089733794 1360638019 /nfs/dbraw/zinc/63/80/19/1360638019.db2.gz BUVKMXYRLOWUMN-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001099080123 1363611766 /nfs/dbraw/zinc/61/17/66/1363611766.db2.gz MOVKKUUWNAPQHU-IRXDYDNUSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001099080123 1363611769 /nfs/dbraw/zinc/61/17/69/1363611769.db2.gz MOVKKUUWNAPQHU-IRXDYDNUSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116654 1363632681 /nfs/dbraw/zinc/63/26/81/1363632681.db2.gz UNKVXMYUUSUKHC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099116654 1363632679 /nfs/dbraw/zinc/63/26/79/1363632679.db2.gz UNKVXMYUUSUKHC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116654 1363632683 /nfs/dbraw/zinc/63/26/83/1363632683.db2.gz UNKVXMYUUSUKHC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099116710 1363632889 /nfs/dbraw/zinc/63/28/89/1363632889.db2.gz UXTMBERZDWXWMN-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116710 1363632890 /nfs/dbraw/zinc/63/28/90/1363632890.db2.gz UXTMBERZDWXWMN-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116710 1363632895 /nfs/dbraw/zinc/63/28/95/1363632895.db2.gz UXTMBERZDWXWMN-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099116709 1363633482 /nfs/dbraw/zinc/63/34/82/1363633482.db2.gz UXTMBERZDWXWMN-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116709 1363633485 /nfs/dbraw/zinc/63/34/85/1363633485.db2.gz UXTMBERZDWXWMN-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116709 1363633488 /nfs/dbraw/zinc/63/34/88/1363633488.db2.gz UXTMBERZDWXWMN-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353597 1363767860 /nfs/dbraw/zinc/76/78/60/1363767860.db2.gz CUHNXQHPWKZKFK-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354158 1363767916 /nfs/dbraw/zinc/76/79/16/1363767916.db2.gz NJJGCWSTNXXJAX-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099354530 1363769019 /nfs/dbraw/zinc/76/90/19/1363769019.db2.gz UIZFOUCXVRKWAE-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372664 1363778422 /nfs/dbraw/zinc/77/84/22/1363778422.db2.gz PDXZQEXAVFZSQS-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185308478 1387677519 /nfs/dbraw/zinc/67/75/19/1387677519.db2.gz WLOOLXSLHIFEPR-MJGOQNOKSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272299 1364494115 /nfs/dbraw/zinc/49/41/15/1364494115.db2.gz FITDLWCDHPLLJA-DYXWJJEUSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435582 1364562081 /nfs/dbraw/zinc/56/20/81/1364562081.db2.gz XRWLLHLCEMKRGM-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102110433 1364863153 /nfs/dbraw/zinc/86/31/53/1364863153.db2.gz AUJNPVHRFNFWEA-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102110433 1364863154 /nfs/dbraw/zinc/86/31/54/1364863154.db2.gz AUJNPVHRFNFWEA-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102110433 1364863155 /nfs/dbraw/zinc/86/31/55/1364863155.db2.gz AUJNPVHRFNFWEA-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479899 1365078385 /nfs/dbraw/zinc/07/83/85/1365078385.db2.gz MTQHLEPMDNHZAZ-WOJBJXKFSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007546 1365335144 /nfs/dbraw/zinc/33/51/44/1365335144.db2.gz SCHGLIINEALGMI-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007546 1365335147 /nfs/dbraw/zinc/33/51/47/1365335147.db2.gz SCHGLIINEALGMI-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495854 1365597327 /nfs/dbraw/zinc/59/73/27/1365597327.db2.gz VZZCYLDFHXOPDL-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495854 1365597330 /nfs/dbraw/zinc/59/73/30/1365597330.db2.gz VZZCYLDFHXOPDL-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495854 1365597332 /nfs/dbraw/zinc/59/73/32/1365597332.db2.gz VZZCYLDFHXOPDL-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753722 1365764986 /nfs/dbraw/zinc/76/49/86/1365764986.db2.gz XGYKACWGAAGDPT-QZTJIDSGSA-N 2 1 343.515 3.012 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683582 1366130610 /nfs/dbraw/zinc/13/06/10/1366130610.db2.gz MPXZSDVEUMHEIH-CEXWTWQISA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104938251 1366231734 /nfs/dbraw/zinc/23/17/34/1366231734.db2.gz QGOQMDCQGGXEIM-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544919 1366522281 /nfs/dbraw/zinc/52/22/81/1366522281.db2.gz YZMXBIJAZVHFHU-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765445 1366792193 /nfs/dbraw/zinc/79/21/93/1366792193.db2.gz BYHLBLZMSFKPAJ-ZHALLVOQSA-N 2 1 346.519 3.011 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489370 1367155745 /nfs/dbraw/zinc/15/57/45/1367155745.db2.gz TZXDYTQQMNIPQK-JZGRTCEGSA-N 2 1 338.455 3.024 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688436 1367283327 /nfs/dbraw/zinc/28/33/27/1367283327.db2.gz OYDWEZFFMZAJLS-YDZRNGNQSA-N 2 1 335.536 3.041 20 30 EGEDMP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654826 1367318788 /nfs/dbraw/zinc/31/87/88/1367318788.db2.gz LYBYLKVKUGOZJH-ZWKOTPCHSA-N 2 1 346.519 3.264 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654826 1367318793 /nfs/dbraw/zinc/31/87/93/1367318793.db2.gz LYBYLKVKUGOZJH-ZWKOTPCHSA-N 2 1 346.519 3.264 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879626 1367378733 /nfs/dbraw/zinc/37/87/33/1367378733.db2.gz DIRAGABLAQBFHK-AABGKKOBSA-N 2 1 347.547 3.186 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679192 1367848554 /nfs/dbraw/zinc/84/85/54/1367848554.db2.gz BZVCZAAHAFSUHN-LJQANCHMSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718969 1367947513 /nfs/dbraw/zinc/94/75/13/1367947513.db2.gz IKHGTUFYSGYTLF-AKHDSKFASA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718969 1367947517 /nfs/dbraw/zinc/94/75/17/1367947517.db2.gz IKHGTUFYSGYTLF-AKHDSKFASA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001110718969 1367947519 /nfs/dbraw/zinc/94/75/19/1367947519.db2.gz IKHGTUFYSGYTLF-AKHDSKFASA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001110718969 1367947521 /nfs/dbraw/zinc/94/75/21/1367947521.db2.gz IKHGTUFYSGYTLF-AKHDSKFASA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110718970 1367947607 /nfs/dbraw/zinc/94/76/07/1367947607.db2.gz IKHGTUFYSGYTLF-YRXWBPOGSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110718970 1367947609 /nfs/dbraw/zinc/94/76/09/1367947609.db2.gz IKHGTUFYSGYTLF-YRXWBPOGSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001110718970 1367947613 /nfs/dbraw/zinc/94/76/13/1367947613.db2.gz IKHGTUFYSGYTLF-YRXWBPOGSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001110718970 1367947616 /nfs/dbraw/zinc/94/76/16/1367947616.db2.gz IKHGTUFYSGYTLF-YRXWBPOGSA-N 2 1 335.536 3.163 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865035 1368506516 /nfs/dbraw/zinc/50/65/16/1368506516.db2.gz GOCNZWSDXLPOMT-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865035 1368506521 /nfs/dbraw/zinc/50/65/21/1368506521.db2.gz GOCNZWSDXLPOMT-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195865035 1368506522 /nfs/dbraw/zinc/50/65/22/1368506522.db2.gz GOCNZWSDXLPOMT-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001111935867 1368566751 /nfs/dbraw/zinc/56/67/51/1368566751.db2.gz XCWFESOMUBIRCL-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001196936841 1368717371 /nfs/dbraw/zinc/71/73/71/1368717371.db2.gz VLIXYDOOWCRGQM-RTWAWAEBSA-N 2 1 341.499 3.178 20 30 EGEDMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001196936841 1368717372 /nfs/dbraw/zinc/71/73/72/1368717372.db2.gz VLIXYDOOWCRGQM-RTWAWAEBSA-N 2 1 341.499 3.178 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001198258998 1368991949 /nfs/dbraw/zinc/99/19/49/1368991949.db2.gz IWLIIGNQGJRJRW-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198258998 1368991950 /nfs/dbraw/zinc/99/19/50/1368991950.db2.gz IWLIIGNQGJRJRW-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198258998 1368991955 /nfs/dbraw/zinc/99/19/55/1368991955.db2.gz IWLIIGNQGJRJRW-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112854969 1369047970 /nfs/dbraw/zinc/04/79/70/1369047970.db2.gz GBEBPTIOAKENPI-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001186604288 1387984453 /nfs/dbraw/zinc/98/44/53/1387984453.db2.gz CNMDFOBCWHOICF-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186604288 1387984458 /nfs/dbraw/zinc/98/44/58/1387984458.db2.gz CNMDFOBCWHOICF-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186604288 1387984461 /nfs/dbraw/zinc/98/44/61/1387984461.db2.gz CNMDFOBCWHOICF-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605754 1387985268 /nfs/dbraw/zinc/98/52/68/1387985268.db2.gz SZHKRHHWBCYSLW-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001202973648 1369942597 /nfs/dbraw/zinc/94/25/97/1369942597.db2.gz LUFBCTRASIJUCE-GOSISDBHSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507766 1370148886 /nfs/dbraw/zinc/14/88/86/1370148886.db2.gz UYHGICZVRNTYOA-RBUKOAKNSA-N 2 1 349.563 3.482 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)CCCCCC)CCCCC1 ZINC001115776564 1370759275 /nfs/dbraw/zinc/75/92/75/1370759275.db2.gz TXYLRSMEOISBSE-UHFFFAOYSA-N 2 1 337.552 3.483 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206021657 1370940299 /nfs/dbraw/zinc/94/02/99/1370940299.db2.gz BBLYGMSWIZMUQC-HXUWFJFHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189722 1371503266 /nfs/dbraw/zinc/50/32/66/1371503266.db2.gz PVDHUGRWAGYCSS-HDICACEKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073559 1371588666 /nfs/dbraw/zinc/58/86/66/1371588666.db2.gz DYBIYUKAHRMVCP-RLLQIKCJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209233140 1372045125 /nfs/dbraw/zinc/04/51/25/1372045125.db2.gz OJNWMILQUXFGBR-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209661737 1372164246 /nfs/dbraw/zinc/16/42/46/1372164246.db2.gz ZOBHUFLMFSQLII-GOSISDBHSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643519 1372399067 /nfs/dbraw/zinc/39/90/67/1372399067.db2.gz JVASWDFKPBDZMD-VQTJNVASSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636650 1373094147 /nfs/dbraw/zinc/09/41/47/1373094147.db2.gz OSCDGCZUXMRXFD-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780349 1373118052 /nfs/dbraw/zinc/11/80/52/1373118052.db2.gz WEROQJQPSBFJQT-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132140954 1375167557 /nfs/dbraw/zinc/16/75/57/1375167557.db2.gz NAWYHXRWCVLECQ-DOTOQJQBSA-N 2 1 340.471 3.192 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202199 1375205398 /nfs/dbraw/zinc/20/53/98/1375205398.db2.gz DQVPXHPVNPMPID-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941268 1375660545 /nfs/dbraw/zinc/66/05/45/1375660545.db2.gz JBTRSYNFHVPSKJ-ROUUACIJSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165428 1375818848 /nfs/dbraw/zinc/81/88/48/1375818848.db2.gz GUUUOMGNWRADKP-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133274542 1375888660 /nfs/dbraw/zinc/88/86/60/1375888660.db2.gz JUJHPCJGADTCOC-RBUKOAKNSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133315361 1375918276 /nfs/dbraw/zinc/91/82/76/1375918276.db2.gz SLGSBLCVEKBNCG-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235632597 1376881329 /nfs/dbraw/zinc/88/13/29/1376881329.db2.gz LYWRYJBVFZCYKE-UXHICEINSA-N 2 1 336.520 3.125 20 30 EGEDMP C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235632597 1376881336 /nfs/dbraw/zinc/88/13/36/1376881336.db2.gz LYWRYJBVFZCYKE-UXHICEINSA-N 2 1 336.520 3.125 20 30 EGEDMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405850 1377880031 /nfs/dbraw/zinc/88/00/31/1377880031.db2.gz CYBSINFVTMQJQQ-TZIWHRDSSA-N 2 1 332.451 3.146 20 30 EGEDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405850 1377880035 /nfs/dbraw/zinc/88/00/35/1377880035.db2.gz CYBSINFVTMQJQQ-TZIWHRDSSA-N 2 1 332.451 3.146 20 30 EGEDMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405849 1377880256 /nfs/dbraw/zinc/88/02/56/1377880256.db2.gz CYBSINFVTMQJQQ-PZJWPPBQSA-N 2 1 332.451 3.146 20 30 EGEDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@H]21 ZINC001139405849 1377880257 /nfs/dbraw/zinc/88/02/57/1377880257.db2.gz CYBSINFVTMQJQQ-PZJWPPBQSA-N 2 1 332.451 3.146 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148286243 1379146046 /nfs/dbraw/zinc/14/60/46/1379146046.db2.gz VMUPFBAFILEIGT-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362628 1380064806 /nfs/dbraw/zinc/06/48/06/1380064806.db2.gz PXEOZMLFVBICOL-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362628 1380064808 /nfs/dbraw/zinc/06/48/08/1380064808.db2.gz PXEOZMLFVBICOL-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362628 1380064812 /nfs/dbraw/zinc/06/48/12/1380064812.db2.gz PXEOZMLFVBICOL-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1ccnc1CC ZINC001153433553 1380075927 /nfs/dbraw/zinc/07/59/27/1380075927.db2.gz WZOMXTPRLQIMAF-DLBZAZTESA-N 2 1 334.508 3.189 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153433553 1380075929 /nfs/dbraw/zinc/07/59/29/1380075929.db2.gz WZOMXTPRLQIMAF-DLBZAZTESA-N 2 1 334.508 3.189 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153433553 1380075934 /nfs/dbraw/zinc/07/59/34/1380075934.db2.gz WZOMXTPRLQIMAF-DLBZAZTESA-N 2 1 334.508 3.189 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100221 1381127700 /nfs/dbraw/zinc/12/77/00/1381127700.db2.gz YEQASKCJLOWARY-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186102 1381152245 /nfs/dbraw/zinc/15/22/45/1381152245.db2.gz MVNSCIMGWAOVBW-GOSISDBHSA-N 2 1 340.471 3.227 20 30 EGEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158468040 1381254360 /nfs/dbraw/zinc/25/43/60/1381254360.db2.gz KYKKRTUELOPKAO-SJORKVTESA-N 2 1 343.943 3.172 20 30 EGEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158468040 1381254364 /nfs/dbraw/zinc/25/43/64/1381254364.db2.gz KYKKRTUELOPKAO-SJORKVTESA-N 2 1 343.943 3.172 20 30 EGEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](CCC)CCC ZINC001158739205 1381376566 /nfs/dbraw/zinc/37/65/66/1381376566.db2.gz BYVRXAQMRYTSLV-HXUWFJFHSA-N 2 1 349.563 3.225 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219287 1382345419 /nfs/dbraw/zinc/34/54/19/1382345419.db2.gz BCSJERXBGAWLTN-UHFFFAOYSA-N 2 1 335.536 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219287 1382345425 /nfs/dbraw/zinc/34/54/25/1382345425.db2.gz BCSJERXBGAWLTN-UHFFFAOYSA-N 2 1 335.536 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491088 1382420834 /nfs/dbraw/zinc/42/08/34/1382420834.db2.gz FWNQJMFBOLZLSA-FQEVSTJZSA-N 2 1 349.563 3.457 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504334 1382424719 /nfs/dbraw/zinc/42/47/19/1382424719.db2.gz IGJWHACKHWZZGM-UHFFFAOYSA-N 2 1 337.552 3.437 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749817 1382495212 /nfs/dbraw/zinc/49/52/12/1382495212.db2.gz OPZAACRQMLGVBP-GOSISDBHSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749817 1382495217 /nfs/dbraw/zinc/49/52/17/1382495217.db2.gz OPZAACRQMLGVBP-GOSISDBHSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749817 1382495219 /nfs/dbraw/zinc/49/52/19/1382495219.db2.gz OPZAACRQMLGVBP-GOSISDBHSA-N 2 1 335.536 3.211 20 30 EGEDMP CC[N@H+]1CCCC[C@H]1c1ccc(NC2(C#N)CC[NH+](C)CC2)nc1 ZINC001162231195 1382662438 /nfs/dbraw/zinc/66/24/38/1382662438.db2.gz MPAAEHZERWCJSM-KRWDZBQOSA-N 2 1 327.476 3.028 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001163333374 1383024542 /nfs/dbraw/zinc/02/45/42/1383024542.db2.gz RGJUFQBPQFJSAA-NJDAHSKKSA-N 2 1 341.499 3.333 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164492240 1383193112 /nfs/dbraw/zinc/19/31/12/1383193112.db2.gz YOXYIMDMLQPZTR-IEBWSBKVSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164540362 1383197560 /nfs/dbraw/zinc/19/75/60/1383197560.db2.gz IGAOCNVRTGLRRA-SFHVURJKSA-N 2 1 347.547 3.093 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687487 1383460537 /nfs/dbraw/zinc/46/05/37/1383460537.db2.gz TYRUMZNXONDKPW-LJQANCHMSA-N 2 1 341.515 3.041 20 30 EGEDMP N#Cc1cccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168387556 1383892197 /nfs/dbraw/zinc/89/21/97/1383892197.db2.gz KCUFAZKZLNOREJ-OAQYLSRUSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168387556 1383892201 /nfs/dbraw/zinc/89/22/01/1383892201.db2.gz KCUFAZKZLNOREJ-OAQYLSRUSA-N 2 1 339.483 3.276 20 30 EGEDMP C=CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984558 1384704122 /nfs/dbraw/zinc/70/41/22/1384704122.db2.gz NBJMOKTYVYARSQ-FQEVSTJZSA-N 2 1 327.516 3.233 20 30 EGEDMP C=CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984558 1384704124 /nfs/dbraw/zinc/70/41/24/1384704124.db2.gz NBJMOKTYVYARSQ-FQEVSTJZSA-N 2 1 327.516 3.233 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172304660 1384764737 /nfs/dbraw/zinc/76/47/37/1384764737.db2.gz OSVXBVKFIVXVQF-INIZCTEOSA-N 2 1 334.467 3.432 20 30 EGEDMP C[C@H](CCCC#N)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172495350 1384803911 /nfs/dbraw/zinc/80/39/11/1384803911.db2.gz PJIQMJWWRLSIRW-QZTJIDSGSA-N 2 1 345.487 3.417 20 30 EGEDMP CCCCCCC[C@H](CCC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172501375 1384806633 /nfs/dbraw/zinc/80/66/33/1384806633.db2.gz HASTXQPKHGOLOV-SFHVURJKSA-N 2 1 325.541 3.269 20 30 EGEDMP C=CCOC1CCC(N(c2cc(C)[nH+]c(C)n2)C2CC[NH2+]CC2)CC1 ZINC001173323590 1384958415 /nfs/dbraw/zinc/95/84/15/1384958415.db2.gz FKCRKEIGYWGKOE-UHFFFAOYSA-N 2 1 344.503 3.166 20 30 EGEDMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCC(CC#N)CC1 ZINC001173333032 1384960606 /nfs/dbraw/zinc/96/06/06/1384960606.db2.gz JMTMVCYZCIXFCM-ABHNRTSZSA-N 2 1 333.520 3.470 20 30 EGEDMP N#CCC1CCC([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001173335807 1384961632 /nfs/dbraw/zinc/96/16/32/1384961632.db2.gz ZGXOASDYLLKBJG-OPWVIFHQSA-N 2 1 345.531 3.282 20 30 EGEDMP N#CCC1CCC([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001173335807 1384961634 /nfs/dbraw/zinc/96/16/34/1384961634.db2.gz ZGXOASDYLLKBJG-OPWVIFHQSA-N 2 1 345.531 3.282 20 30 EGEDMP N#CCC1CCC([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001173335807 1384961638 /nfs/dbraw/zinc/96/16/38/1384961638.db2.gz ZGXOASDYLLKBJG-OPWVIFHQSA-N 2 1 345.531 3.282 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001176111126 1385487078 /nfs/dbraw/zinc/48/70/78/1385487078.db2.gz GGQHOKZCTWRZBY-RBUKOAKNSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001318990175 1385913922 /nfs/dbraw/zinc/91/39/22/1385913922.db2.gz GNQUDKPVNYCCDX-GOSISDBHSA-N 2 1 349.906 3.018 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177415784 1385948746 /nfs/dbraw/zinc/94/87/46/1385948746.db2.gz LJYZBZFGBRBUFF-LJQANCHMSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CCC ZINC001177466760 1385966781 /nfs/dbraw/zinc/96/67/81/1385966781.db2.gz FUKVYECIBFDCJB-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468887 1386227355 /nfs/dbraw/zinc/22/73/55/1386227355.db2.gz YISGDIKCEONIDG-RBUKOAKNSA-N 2 1 337.552 3.480 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179550242 1386511794 /nfs/dbraw/zinc/51/17/94/1386511794.db2.gz SYTZLFYVNGSOQU-ROUUACIJSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001179580745 1386522116 /nfs/dbraw/zinc/52/21/16/1386522116.db2.gz OJEBDPTUYOFZFJ-IBGZPJMESA-N 2 1 337.552 3.483 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001180035923 1386676352 /nfs/dbraw/zinc/67/63/52/1386676352.db2.gz ZPQPDYHHWTXVGB-IBGZPJMESA-N 2 1 337.552 3.483 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001724981248 1425382969 /nfs/dbraw/zinc/38/29/69/1425382969.db2.gz XOBCQFUYLOQRAN-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001724981248 1425382974 /nfs/dbraw/zinc/38/29/74/1425382974.db2.gz XOBCQFUYLOQRAN-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC001724981248 1425382979 /nfs/dbraw/zinc/38/29/79/1425382979.db2.gz XOBCQFUYLOQRAN-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001752833706 1440226427 /nfs/dbraw/zinc/22/64/27/1440226427.db2.gz IZABOAPKLSPNGR-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001752833706 1440226428 /nfs/dbraw/zinc/22/64/28/1440226428.db2.gz IZABOAPKLSPNGR-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001752833706 1440226429 /nfs/dbraw/zinc/22/64/29/1440226429.db2.gz IZABOAPKLSPNGR-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753275388 1440346143 /nfs/dbraw/zinc/34/61/43/1440346143.db2.gz QMVLBKQNECIDFX-IEBWSBKVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001753562606 1440437137 /nfs/dbraw/zinc/43/71/37/1440437137.db2.gz SYCXHVXFEFBHEO-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001753749824 1440482267 /nfs/dbraw/zinc/48/22/67/1440482267.db2.gz QVYKZBDEBIMEMB-RBUKOAKNSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001754696708 1440667211 /nfs/dbraw/zinc/66/72/11/1440667211.db2.gz BQMUOKKZNSIVKQ-TZIWHRDSSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001755141046 1440760334 /nfs/dbraw/zinc/76/03/34/1440760334.db2.gz ATEXKOWBBHNBHX-HKUYNNGSSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001755720462 1440906950 /nfs/dbraw/zinc/90/69/50/1440906950.db2.gz HWOSHGQXXWSJNZ-PKOBYXMFSA-N 2 1 335.536 3.042 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191430437 239106198 /nfs/dbraw/zinc/10/61/98/239106198.db2.gz IGTJUJMZRNIWSZ-QGZVFWFLSA-N 2 1 328.504 3.373 20 30 EGEDMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC000282890326 201329683 /nfs/dbraw/zinc/32/96/83/201329683.db2.gz DNYKFLBCENDEGQ-HXUWFJFHSA-N 2 1 336.483 3.287 20 30 EGEDMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC000282890326 201329687 /nfs/dbraw/zinc/32/96/87/201329687.db2.gz DNYKFLBCENDEGQ-HXUWFJFHSA-N 2 1 336.483 3.287 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000088716146 201369949 /nfs/dbraw/zinc/36/99/49/201369949.db2.gz CLARDIOPLNPVGE-NQIIRXRSSA-N 2 1 327.516 3.137 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000088716146 201369951 /nfs/dbraw/zinc/36/99/51/201369951.db2.gz CLARDIOPLNPVGE-NQIIRXRSSA-N 2 1 327.516 3.137 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000421322648 268233407 /nfs/dbraw/zinc/23/34/07/268233407.db2.gz GUBATHJDYWTNPW-LJQANCHMSA-N 2 1 337.442 3.352 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000421322648 268233408 /nfs/dbraw/zinc/23/34/08/268233408.db2.gz GUBATHJDYWTNPW-LJQANCHMSA-N 2 1 337.442 3.352 20 30 EGEDMP COCC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360837685 274026151 /nfs/dbraw/zinc/02/61/51/274026151.db2.gz QRVRREYVWKNUBH-FQEVSTJZSA-N 2 1 327.472 3.026 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960715 453890359 /nfs/dbraw/zinc/89/03/59/453890359.db2.gz QBFMJWDWMGDLJE-SFHVURJKSA-N 2 1 337.552 3.243 20 30 EGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000052210272 454661411 /nfs/dbraw/zinc/66/14/11/454661411.db2.gz DFPUGSIUHSVUKX-UHFFFAOYSA-N 2 1 329.488 3.381 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2C)CC1 ZINC000152949297 454745705 /nfs/dbraw/zinc/74/57/05/454745705.db2.gz CHYNWRFKGVVUDS-QGZVFWFLSA-N 2 1 329.488 3.342 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000152990672 454750168 /nfs/dbraw/zinc/75/01/68/454750168.db2.gz HAYYNNYOCBYKEI-MRXNPFEDSA-N 2 1 343.471 3.334 20 30 EGEDMP N#Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000151379758 454977260 /nfs/dbraw/zinc/97/72/60/454977260.db2.gz VJMOHSBFADLMJT-UHFFFAOYSA-N 2 1 337.442 3.494 20 30 EGEDMP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000264094879 455190529 /nfs/dbraw/zinc/19/05/29/455190529.db2.gz MELBYRZRSCFFHQ-INIZCTEOSA-N 2 1 334.533 3.007 20 30 EGEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CC(C)(C)CCC#N)c2)CCO1 ZINC000174304554 455377734 /nfs/dbraw/zinc/37/77/34/455377734.db2.gz BMSQOKYYMNCDSO-KRWDZBQOSA-N 2 1 329.488 3.327 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CC(C)(C)CCC#N)c2)CCO1 ZINC000174304554 455377738 /nfs/dbraw/zinc/37/77/38/455377738.db2.gz BMSQOKYYMNCDSO-KRWDZBQOSA-N 2 1 329.488 3.327 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000247080462 455556900 /nfs/dbraw/zinc/55/69/00/455556900.db2.gz OVLQYFYKYXLZHJ-QKLQHJQFSA-N 2 1 329.488 3.346 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)CCO1 ZINC000185798033 455624471 /nfs/dbraw/zinc/62/44/71/455624471.db2.gz PHJDQHIGWRDRNY-FUHIMQAGSA-N 2 1 327.472 3.079 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)CCO1 ZINC000185798033 455624477 /nfs/dbraw/zinc/62/44/77/455624477.db2.gz PHJDQHIGWRDRNY-FUHIMQAGSA-N 2 1 327.472 3.079 20 30 EGEDMP C=CCn1c(C)cc(C(=O)CN2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000247572120 455626715 /nfs/dbraw/zinc/62/67/15/455626715.db2.gz LLPRHIMDKIQQNC-KXBFYZLASA-N 2 1 340.471 3.253 20 30 EGEDMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000290124468 456245617 /nfs/dbraw/zinc/24/56/17/456245617.db2.gz JOAWUGJDNBYQED-QGZVFWFLSA-N 2 1 328.504 3.237 20 30 EGEDMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000290124468 456245620 /nfs/dbraw/zinc/24/56/20/456245620.db2.gz JOAWUGJDNBYQED-QGZVFWFLSA-N 2 1 328.504 3.237 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000290523226 456353003 /nfs/dbraw/zinc/35/30/03/456353003.db2.gz QDMREKKLXRWHNA-IBGZPJMESA-N 2 1 344.499 3.293 20 30 EGEDMP C=C[C@@](C)(CC)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000353120016 456502534 /nfs/dbraw/zinc/50/25/34/456502534.db2.gz DQLLTKMYKSTXMV-NRFANRHFSA-N 2 1 349.563 3.243 20 30 EGEDMP N#CCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000377647727 458508254 /nfs/dbraw/zinc/50/82/54/458508254.db2.gz MEIOFMALKOVGAS-PMACEKPBSA-N 2 1 349.482 3.180 20 30 EGEDMP N#CCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000377647727 458508257 /nfs/dbraw/zinc/50/82/57/458508257.db2.gz MEIOFMALKOVGAS-PMACEKPBSA-N 2 1 349.482 3.180 20 30 EGEDMP COc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC000440811301 458856876 /nfs/dbraw/zinc/85/68/76/458856876.db2.gz GTWMDEHVEQTRQQ-UHFFFAOYSA-N 2 1 335.451 3.105 20 30 EGEDMP COc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000440811301 458856882 /nfs/dbraw/zinc/85/68/82/458856882.db2.gz GTWMDEHVEQTRQQ-UHFFFAOYSA-N 2 1 335.451 3.105 20 30 EGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000532950329 459166796 /nfs/dbraw/zinc/16/67/96/459166796.db2.gz XVTJAOWCXUWWMN-UHFFFAOYSA-N 2 1 348.516 3.001 20 30 EGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC[C@H](C#N)CCC#N ZINC000559703649 459272806 /nfs/dbraw/zinc/27/28/06/459272806.db2.gz SRMXMQKZPJYVQZ-KRWDZBQOSA-N 2 1 336.439 3.445 20 30 EGEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000595471010 459315760 /nfs/dbraw/zinc/31/57/60/459315760.db2.gz YPCXZLDQSBWBRR-SZPZYZBQSA-N 2 1 331.463 3.165 20 30 EGEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000595471010 459315765 /nfs/dbraw/zinc/31/57/65/459315765.db2.gz YPCXZLDQSBWBRR-SZPZYZBQSA-N 2 1 331.463 3.165 20 30 EGEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000595471010 459315767 /nfs/dbraw/zinc/31/57/67/459315767.db2.gz YPCXZLDQSBWBRR-SZPZYZBQSA-N 2 1 331.463 3.165 20 30 EGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000570983652 459562596 /nfs/dbraw/zinc/56/25/96/459562596.db2.gz OIYTWESDDDIHEF-SFHVURJKSA-N 2 1 349.906 3.099 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598713309 460003751 /nfs/dbraw/zinc/00/37/51/460003751.db2.gz ANYYKEHIRNCMSD-YLJYHZDGSA-N 2 1 343.515 3.309 20 30 EGEDMP C=CC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185317 546654609 /nfs/dbraw/zinc/65/46/09/546654609.db2.gz MONQOTYIVSMBNO-FQEVSTJZSA-N 2 1 327.516 3.280 20 30 EGEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)ccc1F ZINC000262240913 1296623286 /nfs/dbraw/zinc/62/32/86/1296623286.db2.gz BNOTXMXPXUJYQV-HNNXBMFYSA-N 2 1 344.409 3.214 20 30 EGEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCCC2)[C@H]1c1cccs1 ZINC000262482148 1296634569 /nfs/dbraw/zinc/63/45/69/1296634569.db2.gz IDJOGKWSZHQBIU-WBVHZDCISA-N 2 1 334.533 3.322 20 30 EGEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)c(F)c1)NC(C)(C)C ZINC000263243120 1296671121 /nfs/dbraw/zinc/67/11/21/1296671121.db2.gz LVYVMWAGPRYWPL-UHFFFAOYSA-N 2 1 331.439 3.173 20 30 EGEDMP COc1ccc([C@H](CNC(=[NH2+])N2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000303792903 1296858026 /nfs/dbraw/zinc/85/80/26/1296858026.db2.gz YVBRKEFUJGPNSY-IBGZPJMESA-N 2 1 344.503 3.023 20 30 EGEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303991572 1296886902 /nfs/dbraw/zinc/88/69/02/1296886902.db2.gz ZRPYACUIYLXCQS-NSHDSACASA-N 2 1 331.291 3.299 20 30 EGEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000305003013 1296951137 /nfs/dbraw/zinc/95/11/37/1296951137.db2.gz HUIXDADFBDNXJU-INIZCTEOSA-N 2 1 328.504 3.270 20 30 EGEDMP CC(=[NH+]n1cc(Br)cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779784924 1304605355 /nfs/dbraw/zinc/60/53/55/1304605355.db2.gz SYHMKAISDLAXEN-HNNXBMFYSA-N 2 1 347.260 3.392 20 30 EGEDMP CC(=[NH+]n1cc(Br)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779784924 1304605360 /nfs/dbraw/zinc/60/53/60/1304605360.db2.gz SYHMKAISDLAXEN-HNNXBMFYSA-N 2 1 347.260 3.392 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000793745847 1309434920 /nfs/dbraw/zinc/43/49/20/1309434920.db2.gz PGCLFQRQUFXGBN-LJQANCHMSA-N 2 1 342.512 3.300 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000793745847 1309434928 /nfs/dbraw/zinc/43/49/28/1309434928.db2.gz PGCLFQRQUFXGBN-LJQANCHMSA-N 2 1 342.512 3.300 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000793745847 1309434935 /nfs/dbraw/zinc/43/49/35/1309434935.db2.gz PGCLFQRQUFXGBN-LJQANCHMSA-N 2 1 342.512 3.300 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000793745847 1309434940 /nfs/dbraw/zinc/43/49/40/1309434940.db2.gz PGCLFQRQUFXGBN-LJQANCHMSA-N 2 1 342.512 3.300 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000815652405 1319036828 /nfs/dbraw/zinc/03/68/28/1319036828.db2.gz BCEKSOHJWRIGBL-ZDUSSCGKSA-N 2 1 341.268 3.064 20 30 EGEDMP C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000904552517 1317861716 /nfs/dbraw/zinc/86/17/16/1317861716.db2.gz OTNGHTDJOILIJL-INIZCTEOSA-N 2 1 330.432 3.033 20 30 EGEDMP C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000904602921 1317867221 /nfs/dbraw/zinc/86/72/21/1317867221.db2.gz YSIDPDHSCBNPMC-MRXNPFEDSA-N 2 1 330.432 3.033 20 30 EGEDMP C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000904603218 1317867593 /nfs/dbraw/zinc/86/75/93/1317867593.db2.gz FCRQZWULJJTJFE-OAHLLOKOSA-N 2 1 330.432 3.033 20 30 EGEDMP CC(C)[N@H+]1CC[C@H](C[NH+]=C(NCc2cccs2)NC(C)(C)C)C1 ZINC000912506552 1318894727 /nfs/dbraw/zinc/89/47/27/1318894727.db2.gz PZCVUOQAWGRDPI-OAHLLOKOSA-N 2 1 336.549 3.312 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000815652405 1319036824 /nfs/dbraw/zinc/03/68/24/1319036824.db2.gz BCEKSOHJWRIGBL-ZDUSSCGKSA-N 2 1 341.268 3.064 20 30 EGEDMP C=CCNC(=[NH2+])NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000848998555 1322057867 /nfs/dbraw/zinc/05/78/67/1322057867.db2.gz SWTRLCNFQLLCJW-HNNXBMFYSA-N 2 1 342.409 3.388 20 30 EGEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000924693288 1323116108 /nfs/dbraw/zinc/11/61/08/1323116108.db2.gz XFYIGOJHVJAKRZ-GOSISDBHSA-N 2 1 342.531 3.242 20 30 EGEDMP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025264500 1324075990 /nfs/dbraw/zinc/07/59/90/1324075990.db2.gz ARSUSDDCLIJFLG-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025264500 1324075995 /nfs/dbraw/zinc/07/59/95/1324075995.db2.gz ARSUSDDCLIJFLG-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025264500 1324076004 /nfs/dbraw/zinc/07/60/04/1324076004.db2.gz ARSUSDDCLIJFLG-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266794 1324078704 /nfs/dbraw/zinc/07/87/04/1324078704.db2.gz LPUNDGHJSFFBCC-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266794 1324078707 /nfs/dbraw/zinc/07/87/07/1324078707.db2.gz LPUNDGHJSFFBCC-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266794 1324078712 /nfs/dbraw/zinc/07/87/12/1324078712.db2.gz LPUNDGHJSFFBCC-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560029 1324407087 /nfs/dbraw/zinc/40/70/87/1324407087.db2.gz ZBQIIZRVLPVODI-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559228 1324407661 /nfs/dbraw/zinc/40/76/61/1324407661.db2.gz SDFWHGHIDPZPFK-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963331578 1325116661 /nfs/dbraw/zinc/11/66/61/1325116661.db2.gz OSMLEABSGZODQV-VIQWUECVSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881934 1333289735 /nfs/dbraw/zinc/28/97/35/1333289735.db2.gz LNEJCZCDZGUDHR-IEBWSBKVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574355 1333582732 /nfs/dbraw/zinc/58/27/32/1333582732.db2.gz FPNVKKMAKNVLML-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574355 1333582735 /nfs/dbraw/zinc/58/27/35/1333582735.db2.gz FPNVKKMAKNVLML-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574355 1333582737 /nfs/dbraw/zinc/58/27/37/1333582737.db2.gz FPNVKKMAKNVLML-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888268 1336080656 /nfs/dbraw/zinc/08/06/56/1336080656.db2.gz RYQXUXCVUHFZHA-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888268 1336080658 /nfs/dbraw/zinc/08/06/58/1336080658.db2.gz RYQXUXCVUHFZHA-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968888268 1336080660 /nfs/dbraw/zinc/08/06/60/1336080660.db2.gz RYQXUXCVUHFZHA-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969101360 1336143199 /nfs/dbraw/zinc/14/31/99/1336143199.db2.gz ZMSVPYVDLNBGIH-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005504356 1336363507 /nfs/dbraw/zinc/36/35/07/1336363507.db2.gz PWYKRTFUHPUPGV-LJQANCHMSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001018312377 1339572211 /nfs/dbraw/zinc/57/22/11/1339572211.db2.gz DOULLZLRJXWKEO-ZCNNSNEGSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035244421 1343066432 /nfs/dbraw/zinc/06/64/32/1343066432.db2.gz MJGLFJYBCYAVBY-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CCCC)CC2 ZINC001035244421 1343066433 /nfs/dbraw/zinc/06/64/33/1343066433.db2.gz MJGLFJYBCYAVBY-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CCCC)CC2 ZINC001035244421 1343066435 /nfs/dbraw/zinc/06/64/35/1343066435.db2.gz MJGLFJYBCYAVBY-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039283259 1344995730 /nfs/dbraw/zinc/99/57/30/1344995730.db2.gz PDQJALDEVKYJIL-CSNJMZFVSA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039288780 1344998111 /nfs/dbraw/zinc/99/81/11/1344998111.db2.gz HHYPSQVRQOAKCG-SEBOWIOWSA-N 2 1 347.547 3.327 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039387124 1345039541 /nfs/dbraw/zinc/03/95/41/1345039541.db2.gz UJILQMVJHTUCFC-AABGKKOBSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039387124 1345039542 /nfs/dbraw/zinc/03/95/42/1345039542.db2.gz UJILQMVJHTUCFC-AABGKKOBSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039387124 1345039544 /nfs/dbraw/zinc/03/95/44/1345039544.db2.gz UJILQMVJHTUCFC-AABGKKOBSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433590 1345496093 /nfs/dbraw/zinc/49/60/93/1345496093.db2.gz XVRWWODEIDTVFW-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433590 1345496094 /nfs/dbraw/zinc/49/60/94/1345496094.db2.gz XVRWWODEIDTVFW-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433590 1345496097 /nfs/dbraw/zinc/49/60/97/1345496097.db2.gz XVRWWODEIDTVFW-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937796 1346774234 /nfs/dbraw/zinc/77/42/34/1346774234.db2.gz KPJJEHJGKXVSAX-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045937796 1346774235 /nfs/dbraw/zinc/77/42/35/1346774235.db2.gz KPJJEHJGKXVSAX-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045937796 1346774238 /nfs/dbraw/zinc/77/42/38/1346774238.db2.gz KPJJEHJGKXVSAX-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986182 1346827613 /nfs/dbraw/zinc/82/76/13/1346827613.db2.gz JICLJFSPRMVTTC-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986182 1346827616 /nfs/dbraw/zinc/82/76/16/1346827616.db2.gz JICLJFSPRMVTTC-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986182 1346827620 /nfs/dbraw/zinc/82/76/20/1346827620.db2.gz JICLJFSPRMVTTC-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578485 1347603238 /nfs/dbraw/zinc/60/32/38/1347603238.db2.gz PHBPZSKKJJFKMW-FNLKRUPLSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049526526 1347892654 /nfs/dbraw/zinc/89/26/54/1347892654.db2.gz VMUSJKRRDCYDGB-SLFFLAALSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526526 1347892656 /nfs/dbraw/zinc/89/26/56/1347892656.db2.gz VMUSJKRRDCYDGB-SLFFLAALSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526526 1347892658 /nfs/dbraw/zinc/89/26/58/1347892658.db2.gz VMUSJKRRDCYDGB-SLFFLAALSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049526528 1347893151 /nfs/dbraw/zinc/89/31/51/1347893151.db2.gz VMUSJKRRDCYDGB-XUVXKRRUSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526528 1347893153 /nfs/dbraw/zinc/89/31/53/1347893153.db2.gz VMUSJKRRDCYDGB-XUVXKRRUSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526528 1347893158 /nfs/dbraw/zinc/89/31/58/1347893158.db2.gz VMUSJKRRDCYDGB-XUVXKRRUSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913518 1348108865 /nfs/dbraw/zinc/10/88/65/1348108865.db2.gz ZFDIYKBPBLBMLS-VQTJNVASSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049921404 1348114078 /nfs/dbraw/zinc/11/40/78/1348114078.db2.gz WGMZXHFJFLBHBS-PMACEKPBSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857817 1348704550 /nfs/dbraw/zinc/70/45/50/1348704550.db2.gz VEFTZYYIEBWYCX-HXUWFJFHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089508222 1360479930 /nfs/dbraw/zinc/47/99/30/1360479930.db2.gz VRSXYHBBZCKPDA-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089508222 1360479931 /nfs/dbraw/zinc/47/99/31/1360479931.db2.gz VRSXYHBBZCKPDA-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071897347 1355012984 /nfs/dbraw/zinc/01/29/84/1355012984.db2.gz MXERGUOJOOBXKX-FXAWDEMLSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106820 1363626074 /nfs/dbraw/zinc/62/60/74/1363626074.db2.gz PKEMOUGYZVFPMI-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792157 1359648171 /nfs/dbraw/zinc/64/81/71/1359648171.db2.gz PSTXSEQTPXWPHQ-IPMKNSEASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792157 1359648174 /nfs/dbraw/zinc/64/81/74/1359648174.db2.gz PSTXSEQTPXWPHQ-IPMKNSEASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792157 1359648177 /nfs/dbraw/zinc/64/81/77/1359648177.db2.gz PSTXSEQTPXWPHQ-IPMKNSEASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089380557 1360383478 /nfs/dbraw/zinc/38/34/78/1360383478.db2.gz FWTMMINZNKTXEB-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089380557 1360383481 /nfs/dbraw/zinc/38/34/81/1360383481.db2.gz FWTMMINZNKTXEB-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089380557 1360383483 /nfs/dbraw/zinc/38/34/83/1360383483.db2.gz FWTMMINZNKTXEB-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425862 1360418452 /nfs/dbraw/zinc/41/84/52/1360418452.db2.gz DNLNTVHENQYKSB-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425862 1360418453 /nfs/dbraw/zinc/41/84/53/1360418453.db2.gz DNLNTVHENQYKSB-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425862 1360418455 /nfs/dbraw/zinc/41/84/55/1360418455.db2.gz DNLNTVHENQYKSB-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430352 1360422230 /nfs/dbraw/zinc/42/22/30/1360422230.db2.gz LVPVTYGNGGDELX-QGZVFWFLSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510611 1360482214 /nfs/dbraw/zinc/48/22/14/1360482214.db2.gz YVCWDRSGSWESRY-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089638904 1360552727 /nfs/dbraw/zinc/55/27/27/1360552727.db2.gz IYURUBUGJOBEDE-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638904 1360552729 /nfs/dbraw/zinc/55/27/29/1360552729.db2.gz IYURUBUGJOBEDE-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638904 1360552730 /nfs/dbraw/zinc/55/27/30/1360552730.db2.gz IYURUBUGJOBEDE-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089645943 1360558128 /nfs/dbraw/zinc/55/81/28/1360558128.db2.gz DSUZALCTYQFUSW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089645943 1360558129 /nfs/dbraw/zinc/55/81/29/1360558129.db2.gz DSUZALCTYQFUSW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089645943 1360558133 /nfs/dbraw/zinc/55/81/33/1360558133.db2.gz DSUZALCTYQFUSW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094493703 1361829539 /nfs/dbraw/zinc/82/95/39/1361829539.db2.gz MNGSWURSHAZSDD-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094493703 1361829542 /nfs/dbraw/zinc/82/95/42/1361829542.db2.gz MNGSWURSHAZSDD-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094493703 1361829545 /nfs/dbraw/zinc/82/95/45/1361829545.db2.gz MNGSWURSHAZSDD-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313444 1362459868 /nfs/dbraw/zinc/45/98/68/1362459868.db2.gz GTUSYABYQUZTQD-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313444 1362459871 /nfs/dbraw/zinc/45/98/71/1362459871.db2.gz GTUSYABYQUZTQD-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313444 1362459872 /nfs/dbraw/zinc/45/98/72/1362459872.db2.gz GTUSYABYQUZTQD-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001099103002 1363623126 /nfs/dbraw/zinc/62/31/26/1363623126.db2.gz SZUYLOHZDPFRQC-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001099103002 1363623128 /nfs/dbraw/zinc/62/31/28/1363623128.db2.gz SZUYLOHZDPFRQC-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001099103002 1363623131 /nfs/dbraw/zinc/62/31/31/1363623131.db2.gz SZUYLOHZDPFRQC-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229716 1363703351 /nfs/dbraw/zinc/70/33/51/1363703351.db2.gz MFYXKXYUESRRPX-QZTJIDSGSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099234801 1363705509 /nfs/dbraw/zinc/70/55/09/1363705509.db2.gz MICODNATTVWORG-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234801 1363705510 /nfs/dbraw/zinc/70/55/10/1363705510.db2.gz MICODNATTVWORG-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234801 1363705512 /nfs/dbraw/zinc/70/55/12/1363705512.db2.gz MICODNATTVWORG-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001099334545 1363756187 /nfs/dbraw/zinc/75/61/87/1363756187.db2.gz LVTDIXZOJCNARF-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099334545 1363756190 /nfs/dbraw/zinc/75/61/90/1363756190.db2.gz LVTDIXZOJCNARF-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099334545 1363756195 /nfs/dbraw/zinc/75/61/95/1363756195.db2.gz LVTDIXZOJCNARF-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185227271 1387656890 /nfs/dbraw/zinc/65/68/90/1387656890.db2.gz WKKRMEWRJJOUNA-ZWKOTPCHSA-N 2 1 346.519 3.047 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344707 1364519651 /nfs/dbraw/zinc/51/96/51/1364519651.db2.gz AEYMIRGJBWVHRT-QUCCMNQESA-N 2 1 337.552 3.079 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101540853 1364607056 /nfs/dbraw/zinc/60/70/56/1364607056.db2.gz XJXWQETUTJRERY-IBGZPJMESA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102047920 1364822786 /nfs/dbraw/zinc/82/27/86/1364822786.db2.gz XYVIOMWPBOJQDW-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612996 1365137476 /nfs/dbraw/zinc/13/74/76/1365137476.db2.gz HGQVDEZVYLIMFI-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007547 1365335166 /nfs/dbraw/zinc/33/51/66/1365335166.db2.gz SCHGLIINEALGMI-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007547 1365335169 /nfs/dbraw/zinc/33/51/69/1365335169.db2.gz SCHGLIINEALGMI-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753544 1365764878 /nfs/dbraw/zinc/76/48/78/1365764878.db2.gz OKIGQUHKIUGDBX-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556586 1366529334 /nfs/dbraw/zinc/52/93/34/1366529334.db2.gz KOEPTIZBXZUBFC-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321868 1366653289 /nfs/dbraw/zinc/65/32/89/1366653289.db2.gz GHBYPDSJACMHRM-QRVBRYPASA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328881 1366930044 /nfs/dbraw/zinc/93/00/44/1366930044.db2.gz BNLFSRDULPEDFX-SFHLNBCPSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328881 1366930047 /nfs/dbraw/zinc/93/00/47/1366930047.db2.gz BNLFSRDULPEDFX-SFHLNBCPSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328881 1366930049 /nfs/dbraw/zinc/93/00/49/1366930049.db2.gz BNLFSRDULPEDFX-SFHLNBCPSA-N 2 1 349.563 3.412 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495035 1366994701 /nfs/dbraw/zinc/99/47/01/1366994701.db2.gz HDVBDPDIYWPOBY-WIYYLYMNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177688 1367192192 /nfs/dbraw/zinc/19/21/92/1367192192.db2.gz RSFYBKONTGTSOH-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190177688 1367192194 /nfs/dbraw/zinc/19/21/94/1367192194.db2.gz RSFYBKONTGTSOH-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190177688 1367192196 /nfs/dbraw/zinc/19/21/96/1367192196.db2.gz RSFYBKONTGTSOH-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780669 1367592384 /nfs/dbraw/zinc/59/23/84/1367592384.db2.gz JESQKZUJYDPPPP-UFYCRDLUSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193374903 1368015302 /nfs/dbraw/zinc/01/53/02/1368015302.db2.gz ZRTQUEMTULGYNK-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193374903 1368015304 /nfs/dbraw/zinc/01/53/04/1368015304.db2.gz ZRTQUEMTULGYNK-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193374903 1368015307 /nfs/dbraw/zinc/01/53/07/1368015307.db2.gz ZRTQUEMTULGYNK-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494376 1368321515 /nfs/dbraw/zinc/32/15/15/1368321515.db2.gz MNFSQARXUDNQBR-NMLBUPMWSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259038 1368991751 /nfs/dbraw/zinc/99/17/51/1368991751.db2.gz JXWZOCDBFZGTOI-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)CC1 ZINC001186598243 1387981890 /nfs/dbraw/zinc/98/18/90/1387981890.db2.gz RZMHDGPVWHOVCY-GOSISDBHSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+](C)CC)CC2)CC1 ZINC001186598243 1387981894 /nfs/dbraw/zinc/98/18/94/1387981894.db2.gz RZMHDGPVWHOVCY-GOSISDBHSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)[NH+](C)CC)CC2)CC1 ZINC001186598243 1387981898 /nfs/dbraw/zinc/98/18/98/1387981898.db2.gz RZMHDGPVWHOVCY-GOSISDBHSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044379 1369470770 /nfs/dbraw/zinc/47/07/70/1369470770.db2.gz UXIVBYIVSRSYOT-PKOBYXMFSA-N 2 1 335.536 3.185 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001202862838 1369910782 /nfs/dbraw/zinc/91/07/82/1369910782.db2.gz HEQYLHANBGXMEU-INIZCTEOSA-N 2 1 334.508 3.139 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872648 1369914337 /nfs/dbraw/zinc/91/43/37/1369914337.db2.gz KPIFPSQMWUQJOJ-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203035998 1369962933 /nfs/dbraw/zinc/96/29/33/1369962933.db2.gz IRPRBMUCNWWJPC-RTBURBONSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573109 1370575781 /nfs/dbraw/zinc/57/57/81/1370575781.db2.gz IJERTNJPXVCWHM-KRWDZBQOSA-N 2 1 344.503 3.135 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592196 1370592895 /nfs/dbraw/zinc/59/28/95/1370592895.db2.gz YGWSFHVLLQIGJN-MOPGFXCFSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205339619 1370726259 /nfs/dbraw/zinc/72/62/59/1370726259.db2.gz IRPKBKRYAUAMNC-QGZVFWFLSA-N 2 1 346.519 3.191 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857550 1371191100 /nfs/dbraw/zinc/19/11/00/1371191100.db2.gz OKFRMMZEYLYCKM-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347754 1371945813 /nfs/dbraw/zinc/94/58/13/1371945813.db2.gz MCOZUKKSNUDCQS-FCOWATRHSA-N 2 1 347.547 3.090 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209222525 1372042626 /nfs/dbraw/zinc/04/26/26/1372042626.db2.gz JQDGGCJUFHHKMW-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCCC[N@@H+]1CCc2ncc(Cn3cccn3)n2CC1 ZINC001209437362 1372106648 /nfs/dbraw/zinc/10/66/48/1372106648.db2.gz JLKKBMHOQKLRCN-UHFFFAOYSA-N 2 1 327.476 3.123 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209689032 1372170668 /nfs/dbraw/zinc/17/06/68/1372170668.db2.gz IRDKQIFXMUFTHT-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211256595 1372513374 /nfs/dbraw/zinc/51/33/74/1372513374.db2.gz JRPSLYUTKCLLDD-OALUTQOASA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444113 1372560491 /nfs/dbraw/zinc/56/04/91/1372560491.db2.gz PAWRTMLSTCRARX-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C[NH2+]Cc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1F ZINC001216220048 1373283625 /nfs/dbraw/zinc/28/36/25/1373283625.db2.gz BMDACVBKEHQYRU-UHFFFAOYSA-N 2 1 330.432 3.210 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001221933673 1373806220 /nfs/dbraw/zinc/80/62/20/1373806220.db2.gz KGIZCULVAOLJLI-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001221933673 1373806223 /nfs/dbraw/zinc/80/62/23/1373806223.db2.gz KGIZCULVAOLJLI-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001221933673 1373806227 /nfs/dbraw/zinc/80/62/27/1373806227.db2.gz KGIZCULVAOLJLI-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001224884131 1375082147 /nfs/dbraw/zinc/08/21/47/1375082147.db2.gz OROBHFDNKWLBJO-UHFFFAOYSA-N 2 1 343.943 3.079 20 30 EGEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001224884131 1375082148 /nfs/dbraw/zinc/08/21/48/1375082148.db2.gz OROBHFDNKWLBJO-UHFFFAOYSA-N 2 1 343.943 3.079 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)CC[C@@H]1C ZINC001132030211 1375106673 /nfs/dbraw/zinc/10/66/73/1375106673.db2.gz SPGDZXHJMZODBI-IRXDYDNUSA-N 2 1 334.508 3.282 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132140957 1375166849 /nfs/dbraw/zinc/16/68/49/1375166849.db2.gz NAWYHXRWCVLECQ-WBVHZDCISA-N 2 1 340.471 3.192 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183411 1375192763 /nfs/dbraw/zinc/19/27/63/1375192763.db2.gz ONCPLBNVLWXUCZ-AEFFLSMTSA-N 2 1 334.508 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183411 1375192764 /nfs/dbraw/zinc/19/27/64/1375192764.db2.gz ONCPLBNVLWXUCZ-AEFFLSMTSA-N 2 1 334.508 3.131 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265553 1375253970 /nfs/dbraw/zinc/25/39/70/1375253970.db2.gz OKGNJBTZKQUULX-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265797 1375255563 /nfs/dbraw/zinc/25/55/63/1375255563.db2.gz SZOGHRLSATZGHT-IEBWSBKVSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001228138233 1375519782 /nfs/dbraw/zinc/51/97/82/1375519782.db2.gz RHUQHEGVAJYNNH-GUDVDZBRSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133346743 1375934670 /nfs/dbraw/zinc/93/46/70/1375934670.db2.gz ONUZNEDQRQJOKQ-OALUTQOASA-N 2 1 339.568 3.371 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230610906 1376100998 /nfs/dbraw/zinc/10/09/98/1376100998.db2.gz JTLUMZOEZBLKLF-PMACEKPBSA-N 2 1 349.563 3.242 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235025981 1376830614 /nfs/dbraw/zinc/83/06/14/1376830614.db2.gz IHYQDCLRCHJNTJ-GHTZIAJQSA-N 2 1 332.451 3.120 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)cc1 ZINC001235025981 1376830625 /nfs/dbraw/zinc/83/06/25/1376830625.db2.gz IHYQDCLRCHJNTJ-GHTZIAJQSA-N 2 1 332.451 3.120 20 30 EGEDMP N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001235969116 1376924151 /nfs/dbraw/zinc/92/41/51/1376924151.db2.gz OOMPZSQOSGUTPF-JOCHJYFZSA-N 2 1 347.462 3.247 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226833 1379136902 /nfs/dbraw/zinc/13/69/02/1379136902.db2.gz UXXYCLUULOEOPA-GOSISDBHSA-N 2 1 337.552 3.077 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153381712 1380067989 /nfs/dbraw/zinc/06/79/89/1380067989.db2.gz NVSIAXXNTIOORJ-MJGOQNOKSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227332 1380426687 /nfs/dbraw/zinc/42/66/87/1380426687.db2.gz ZIDOKGODAIPZRW-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155227332 1380426688 /nfs/dbraw/zinc/42/66/88/1380426688.db2.gz ZIDOKGODAIPZRW-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155227332 1380426689 /nfs/dbraw/zinc/42/66/89/1380426689.db2.gz ZIDOKGODAIPZRW-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158473651 1381257747 /nfs/dbraw/zinc/25/77/47/1381257747.db2.gz OPKACGONRUOCAA-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473651 1381257775 /nfs/dbraw/zinc/25/77/75/1381257775.db2.gz OPKACGONRUOCAA-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473651 1381257781 /nfs/dbraw/zinc/25/77/81/1381257781.db2.gz OPKACGONRUOCAA-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352473 1382081533 /nfs/dbraw/zinc/08/15/33/1382081533.db2.gz IUMAXRBDHIWEMP-HXUWFJFHSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352473 1382081538 /nfs/dbraw/zinc/08/15/38/1382081538.db2.gz IUMAXRBDHIWEMP-HXUWFJFHSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352473 1382081543 /nfs/dbraw/zinc/08/15/43/1382081543.db2.gz IUMAXRBDHIWEMP-HXUWFJFHSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160499701 1382124507 /nfs/dbraw/zinc/12/45/07/1382124507.db2.gz GOMYDXGKMHECFB-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499701 1382124510 /nfs/dbraw/zinc/12/45/10/1382124510.db2.gz GOMYDXGKMHECFB-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499701 1382124514 /nfs/dbraw/zinc/12/45/14/1382124514.db2.gz GOMYDXGKMHECFB-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160683849 1382169784 /nfs/dbraw/zinc/16/97/84/1382169784.db2.gz XEHNQYFSFUNSBC-UHFFFAOYSA-N 2 1 338.455 3.053 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391926 1382397701 /nfs/dbraw/zinc/39/77/01/1382397701.db2.gz ZEYUDXGTIZPWDM-SFHVURJKSA-N 2 1 347.547 3.211 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879870 1382537468 /nfs/dbraw/zinc/53/74/68/1382537468.db2.gz XGAVLHRTMJYHTH-UHFFFAOYSA-N 2 1 335.536 3.191 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953280 1382569838 /nfs/dbraw/zinc/56/98/38/1382569838.db2.gz RRXCBACSDNFJMQ-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP CC[N@H+]1CCCC[C@@H]1c1ccc(NC2(C#N)CC[NH+](C)CC2)nc1 ZINC001162231198 1382662490 /nfs/dbraw/zinc/66/24/90/1382662490.db2.gz MPAAEHZERWCJSM-QGZVFWFLSA-N 2 1 327.476 3.028 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472812 1383300043 /nfs/dbraw/zinc/30/00/43/1383300043.db2.gz SVLYKVAFHWRYPA-GOSISDBHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377359 1383615691 /nfs/dbraw/zinc/61/56/91/1383615691.db2.gz NPPXMLANHNMBQY-UHFFFAOYSA-N 2 1 346.519 3.239 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167591578 1383683021 /nfs/dbraw/zinc/68/30/21/1383683021.db2.gz IWXOWRGGHFAUER-UHFFFAOYSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694850 1383713151 /nfs/dbraw/zinc/71/31/51/1383713151.db2.gz XONTZBLXMNKVBI-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335411 1383875931 /nfs/dbraw/zinc/87/59/31/1383875931.db2.gz IACISLCKOLQXKL-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169799655 1384187483 /nfs/dbraw/zinc/18/74/83/1384187483.db2.gz WTWUKKOCPPKEQI-MSOLQXFVSA-N 2 1 325.541 3.316 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C\CCC ZINC001171307426 1384490941 /nfs/dbraw/zinc/49/09/41/1384490941.db2.gz IQTAZIZUXGLXIA-KGMDJONISA-N 2 1 347.547 3.095 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C\CCC ZINC001171307426 1384490946 /nfs/dbraw/zinc/49/09/46/1384490946.db2.gz IQTAZIZUXGLXIA-KGMDJONISA-N 2 1 347.547 3.095 20 30 EGEDMP N#CCC1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001173327480 1384959631 /nfs/dbraw/zinc/95/96/31/1384959631.db2.gz CNDFRMAYQHSULD-UHFFFAOYSA-N 2 1 327.472 3.081 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704002 1385378908 /nfs/dbraw/zinc/37/89/08/1385378908.db2.gz PKFVTUXJZNRDQK-KRWDZBQOSA-N 2 1 334.508 3.203 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177266442 1385889570 /nfs/dbraw/zinc/88/95/70/1385889570.db2.gz HNNNYQVKUJUBTA-ICSRJNTNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001177317021 1385911006 /nfs/dbraw/zinc/91/10/06/1385911006.db2.gz MTLZHMLLTBSAEN-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178815686 1386316332 /nfs/dbraw/zinc/31/63/32/1386316332.db2.gz JXDVLDSSMRXGPD-SJORKVTESA-N 2 1 341.927 3.022 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182806455 1387227424 /nfs/dbraw/zinc/22/74/24/1387227424.db2.gz GAZJGCUOHMHGCX-YLJYHZDGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182806522 1387227501 /nfs/dbraw/zinc/22/75/01/1387227501.db2.gz IHCTZKLMQKBPDB-YLJYHZDGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001692098421 1405771310 /nfs/dbraw/zinc/77/13/10/1405771310.db2.gz XHOZYHQCFHSLTC-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001692098421 1405771314 /nfs/dbraw/zinc/77/13/14/1405771314.db2.gz XHOZYHQCFHSLTC-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001692098421 1405771319 /nfs/dbraw/zinc/77/13/19/1405771319.db2.gz XHOZYHQCFHSLTC-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713891362 1418688095 /nfs/dbraw/zinc/68/80/95/1418688095.db2.gz HUFBNWHWIWELKH-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713891362 1418688101 /nfs/dbraw/zinc/68/81/01/1418688101.db2.gz HUFBNWHWIWELKH-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713891362 1418688107 /nfs/dbraw/zinc/68/81/07/1418688107.db2.gz HUFBNWHWIWELKH-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001752260060 1440161698 /nfs/dbraw/zinc/16/16/98/1440161698.db2.gz XLKFGTFSKMFDNO-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001752260060 1440161700 /nfs/dbraw/zinc/16/17/00/1440161700.db2.gz XLKFGTFSKMFDNO-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001752260060 1440161701 /nfs/dbraw/zinc/16/17/01/1440161701.db2.gz XLKFGTFSKMFDNO-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001752432690 1440179230 /nfs/dbraw/zinc/17/92/30/1440179230.db2.gz WNZCFPOZWBQQLK-MJGOQNOKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752442615 1440181700 /nfs/dbraw/zinc/18/17/00/1440181700.db2.gz WVCULICPSOGCMC-MOPGFXCFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752784219 1440210493 /nfs/dbraw/zinc/21/04/93/1440210493.db2.gz XNZAMIUMPDKIOZ-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752971464 1440255000 /nfs/dbraw/zinc/25/50/00/1440255000.db2.gz MODYRFGWCBGIBN-IAGOWNOFSA-N 2 1 335.536 3.233 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753005043 1440265636 /nfs/dbraw/zinc/26/56/36/1440265636.db2.gz AWULNAAESXJICY-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001753112939 1440309671 /nfs/dbraw/zinc/30/96/71/1440309671.db2.gz FCBHTXOATXFYMA-PXNSSMCTSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001753317670 1440360720 /nfs/dbraw/zinc/36/07/20/1440360720.db2.gz SVDHCAUYDRMHJC-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001753317670 1440360721 /nfs/dbraw/zinc/36/07/21/1440360721.db2.gz SVDHCAUYDRMHJC-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753317670 1440360722 /nfs/dbraw/zinc/36/07/22/1440360722.db2.gz SVDHCAUYDRMHJC-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001754548552 1440629035 /nfs/dbraw/zinc/62/90/35/1440629035.db2.gz VTTFKDGXQKWWCG-HXUWFJFHSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001754548552 1440629036 /nfs/dbraw/zinc/62/90/36/1440629036.db2.gz VTTFKDGXQKWWCG-HXUWFJFHSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001754548552 1440629037 /nfs/dbraw/zinc/62/90/37/1440629037.db2.gz VTTFKDGXQKWWCG-HXUWFJFHSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001754868466 1440704166 /nfs/dbraw/zinc/70/41/66/1440704166.db2.gz LPCDVAQNOOWTRV-RBUKOAKNSA-N 2 1 344.503 3.003 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001754868466 1440704167 /nfs/dbraw/zinc/70/41/67/1440704167.db2.gz LPCDVAQNOOWTRV-RBUKOAKNSA-N 2 1 344.503 3.003 20 30 EGEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001754946577 1440713378 /nfs/dbraw/zinc/71/33/78/1440713378.db2.gz NOQAJCRXWZEZFT-SFHVURJKSA-N 2 1 343.515 3.185 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001755046403 1440741284 /nfs/dbraw/zinc/74/12/84/1440741284.db2.gz BTNSEOXHYXJYGS-UXHICEINSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC001755143594 1440762308 /nfs/dbraw/zinc/76/23/08/1440762308.db2.gz LTIWIZBKHKRFOC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755143594 1440762309 /nfs/dbraw/zinc/76/23/09/1440762309.db2.gz LTIWIZBKHKRFOC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755143594 1440762310 /nfs/dbraw/zinc/76/23/10/1440762310.db2.gz LTIWIZBKHKRFOC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC001755143591 1440762365 /nfs/dbraw/zinc/76/23/65/1440762365.db2.gz LTIWIZBKHKRFOC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755143591 1440762366 /nfs/dbraw/zinc/76/23/66/1440762366.db2.gz LTIWIZBKHKRFOC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755143591 1440762367 /nfs/dbraw/zinc/76/23/67/1440762367.db2.gz LTIWIZBKHKRFOC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001755184247 1440772396 /nfs/dbraw/zinc/77/23/96/1440772396.db2.gz QSHLKDUQPOLIBT-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001755184247 1440772397 /nfs/dbraw/zinc/77/23/97/1440772397.db2.gz QSHLKDUQPOLIBT-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001755184247 1440772398 /nfs/dbraw/zinc/77/23/98/1440772398.db2.gz QSHLKDUQPOLIBT-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001755195048 1440776413 /nfs/dbraw/zinc/77/64/13/1440776413.db2.gz IFNXBDPNXJANDK-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001755195048 1440776414 /nfs/dbraw/zinc/77/64/14/1440776414.db2.gz IFNXBDPNXJANDK-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755195048 1440776415 /nfs/dbraw/zinc/77/64/15/1440776415.db2.gz IFNXBDPNXJANDK-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCCCCC)CC1 ZINC001755275640 1440798959 /nfs/dbraw/zinc/79/89/59/1440798959.db2.gz ZXYIZIWPKLRPOX-MHJFOBGBSA-N 2 1 347.547 3.024 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCCCCC)CC1 ZINC001755275640 1440798960 /nfs/dbraw/zinc/79/89/60/1440798960.db2.gz ZXYIZIWPKLRPOX-MHJFOBGBSA-N 2 1 347.547 3.024 20 30 EGEDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000192919902 153266068 /nfs/dbraw/zinc/26/60/68/153266068.db2.gz HDOXWFZYVMKUIR-IBGZPJMESA-N 2 1 335.451 3.179 20 30 EGEDMP C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000580147152 325207762 /nfs/dbraw/zinc/20/77/62/325207762.db2.gz VSLGXYHUVFEOJG-DYESRHJHSA-N 2 1 334.467 3.438 20 30 EGEDMP C=CC[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)CCC)cc2)CC1 ZINC000264524289 455230392 /nfs/dbraw/zinc/23/03/92/455230392.db2.gz XXVXFGRCGCGLJV-UHFFFAOYSA-N 2 1 343.515 3.299 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000264290988 455196910 /nfs/dbraw/zinc/19/69/10/455196910.db2.gz PTFCOHRSDMTFEH-QGZVFWFLSA-N 2 1 342.443 3.160 20 30 EGEDMP C[C@@H]([NH2+]CCOc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185723535 455606022 /nfs/dbraw/zinc/60/60/22/455606022.db2.gz GTVQGYJATZHZBU-SJLPKXTDSA-N 2 1 327.472 3.180 20 30 EGEDMP [NH2+]=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000262254856 456017923 /nfs/dbraw/zinc/01/79/23/456017923.db2.gz CPVOTYIJCPWALZ-SFHVURJKSA-N 2 1 337.471 3.111 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424386151 458631166 /nfs/dbraw/zinc/63/11/66/458631166.db2.gz XBCINPRWXKYYRG-MRXNPFEDSA-N 2 1 330.472 3.224 20 30 EGEDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCCCC#N ZINC000551212039 458887784 /nfs/dbraw/zinc/88/77/84/458887784.db2.gz QFHSPGMRMVVLNO-GOSISDBHSA-N 2 1 345.487 3.198 20 30 EGEDMP C=CCCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520968293 459106890 /nfs/dbraw/zinc/10/68/90/459106890.db2.gz KYYUPMJVZYHOSX-NRFANRHFSA-N 2 1 327.516 3.235 20 30 EGEDMP N#CCC[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000579343845 459246503 /nfs/dbraw/zinc/24/65/03/459246503.db2.gz LXWSQYBAYUFMLG-UHFFFAOYSA-N 2 1 334.467 3.012 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598713308 460003401 /nfs/dbraw/zinc/00/34/01/460003401.db2.gz ANYYKEHIRNCMSD-XLIONFOSSA-N 2 1 343.515 3.309 20 30 EGEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000598728748 460008760 /nfs/dbraw/zinc/00/87/60/460008760.db2.gz VFHYUIBCHAQFRT-WOJBJXKFSA-N 2 1 343.515 3.179 20 30 EGEDMP N#Cc1cccc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000602666274 460054389 /nfs/dbraw/zinc/05/43/89/460054389.db2.gz FRQPEEVROAUXGB-LJQANCHMSA-N 2 1 334.467 3.345 20 30 EGEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2CC)c1 ZINC000178566788 1294743632 /nfs/dbraw/zinc/74/36/32/1294743632.db2.gz PWGHGLICXINRDL-HNNXBMFYSA-N 2 1 348.491 3.085 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192917561 1295813859 /nfs/dbraw/zinc/81/38/59/1295813859.db2.gz KCNABPLRKHRGMA-FQEVSTJZSA-N 2 1 334.463 3.310 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192917561 1295813865 /nfs/dbraw/zinc/81/38/65/1295813865.db2.gz KCNABPLRKHRGMA-FQEVSTJZSA-N 2 1 334.463 3.310 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000247240144 1296385913 /nfs/dbraw/zinc/38/59/13/1296385913.db2.gz ZNZDOTUXJQRLCD-VQIMIIECSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000247240144 1296385928 /nfs/dbraw/zinc/38/59/28/1296385928.db2.gz ZNZDOTUXJQRLCD-VQIMIIECSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000247240144 1296385943 /nfs/dbraw/zinc/38/59/43/1296385943.db2.gz ZNZDOTUXJQRLCD-VQIMIIECSA-N 2 1 330.472 3.045 20 30 EGEDMP COc1ccc([C@@H](CNC(=[NH2+])NCCC(C)C)[NH+]2CCCCC2)cc1 ZINC000303788856 1296854934 /nfs/dbraw/zinc/85/49/34/1296854934.db2.gz UVIIWSNQGRPCFQ-LJQANCHMSA-N 2 1 346.519 3.173 20 30 EGEDMP CCCCCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303887257 1296867765 /nfs/dbraw/zinc/86/77/65/1296867765.db2.gz OIJLYPZAZXAEAZ-MRXNPFEDSA-N 2 1 336.549 3.445 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1O ZINC000754737365 1300205822 /nfs/dbraw/zinc/20/58/22/1300205822.db2.gz RNJIKZDPDJGEGK-QGZVFWFLSA-N 2 1 344.499 3.293 20 30 EGEDMP C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000879290758 1300470309 /nfs/dbraw/zinc/47/03/09/1300470309.db2.gz MSBKLGMISIILDY-RTBURBONSA-N 2 1 349.563 3.384 20 30 EGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471269 1303119602 /nfs/dbraw/zinc/11/96/02/1303119602.db2.gz RQBBJLGVBINOTD-XLIONFOSSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471269 1303119606 /nfs/dbraw/zinc/11/96/06/1303119606.db2.gz RQBBJLGVBINOTD-XLIONFOSSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000769471269 1303119608 /nfs/dbraw/zinc/11/96/08/1303119608.db2.gz RQBBJLGVBINOTD-XLIONFOSSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000774186063 1303785006 /nfs/dbraw/zinc/78/50/06/1303785006.db2.gz KHVPSKUNNLVVJV-UXHICEINSA-N 2 1 327.472 3.242 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568361 1317466821 /nfs/dbraw/zinc/46/68/21/1317466821.db2.gz ISUFTJHVTBITJP-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000817919529 1319460677 /nfs/dbraw/zinc/46/06/77/1319460677.db2.gz SOODYRHRINOCIS-BSIFCXSSSA-N 2 1 337.467 3.416 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819024459 1319618145 /nfs/dbraw/zinc/61/81/45/1319618145.db2.gz QPHRKGDPDDSTPK-QGZVFWFLSA-N 2 1 326.843 3.143 20 30 EGEDMP CCCC[NH+]=C(NCCn1cc[nH+]c1C)NCc1ccc(C)cc1 ZINC000849074168 1322067674 /nfs/dbraw/zinc/06/76/74/1322067674.db2.gz DIFDEINQEPFLJH-UHFFFAOYSA-N 2 1 327.476 3.035 20 30 EGEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921686284 1322378558 /nfs/dbraw/zinc/37/85/58/1322378558.db2.gz QEVIUXQSUDQIJX-LBPRGKRZSA-N 2 1 347.260 3.252 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617857 1323547363 /nfs/dbraw/zinc/54/73/63/1323547363.db2.gz LZPWHJLGFLAWCG-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617857 1323547371 /nfs/dbraw/zinc/54/73/71/1323547371.db2.gz LZPWHJLGFLAWCG-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617857 1323547374 /nfs/dbraw/zinc/54/73/74/1323547374.db2.gz LZPWHJLGFLAWCG-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300982 1324133486 /nfs/dbraw/zinc/13/34/86/1324133486.db2.gz GRHDATYHHXFLRB-VQTJNVASSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025466042 1324311660 /nfs/dbraw/zinc/31/16/60/1324311660.db2.gz ZLRPHFDBZJYNQW-NVXWUHKLSA-N 2 1 340.471 3.049 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963306351 1325087541 /nfs/dbraw/zinc/08/75/41/1325087541.db2.gz NXXGLWGYRXIFNW-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542340 1327845313 /nfs/dbraw/zinc/84/53/13/1327845313.db2.gz KISBTZYHTWNOIP-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542340 1327845317 /nfs/dbraw/zinc/84/53/17/1327845317.db2.gz KISBTZYHTWNOIP-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542340 1327845319 /nfs/dbraw/zinc/84/53/19/1327845319.db2.gz KISBTZYHTWNOIP-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423620 1333519810 /nfs/dbraw/zinc/51/98/10/1333519810.db2.gz BFYJRTZROACCCT-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423620 1333519812 /nfs/dbraw/zinc/51/98/12/1333519812.db2.gz BFYJRTZROACCCT-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423620 1333519815 /nfs/dbraw/zinc/51/98/15/1333519815.db2.gz BFYJRTZROACCCT-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621960 1333600406 /nfs/dbraw/zinc/60/04/06/1333600406.db2.gz YUROWHPFPCVYDR-GOSISDBHSA-N 2 1 340.471 3.227 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711832 1333643497 /nfs/dbraw/zinc/64/34/97/1333643497.db2.gz USMOVBWQICSKCA-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711832 1333643502 /nfs/dbraw/zinc/64/35/02/1333643502.db2.gz USMOVBWQICSKCA-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711832 1333643507 /nfs/dbraw/zinc/64/35/07/1333643507.db2.gz USMOVBWQICSKCA-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888413 1336080780 /nfs/dbraw/zinc/08/07/80/1336080780.db2.gz UQVJMMYJASPZPO-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888413 1336080784 /nfs/dbraw/zinc/08/07/84/1336080784.db2.gz UQVJMMYJASPZPO-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968888413 1336080786 /nfs/dbraw/zinc/08/07/86/1336080786.db2.gz UQVJMMYJASPZPO-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565883 1339368408 /nfs/dbraw/zinc/36/84/08/1339368408.db2.gz YVVLUIQVFSTTTO-OKZBNKHCSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001017565883 1339368413 /nfs/dbraw/zinc/36/84/13/1339368413.db2.gz YVVLUIQVFSTTTO-OKZBNKHCSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028543772 1340695607 /nfs/dbraw/zinc/69/56/07/1340695607.db2.gz YMUPEXMGLVDVLD-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028543772 1340695611 /nfs/dbraw/zinc/69/56/11/1340695611.db2.gz YMUPEXMGLVDVLD-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028543772 1340695615 /nfs/dbraw/zinc/69/56/15/1340695615.db2.gz YMUPEXMGLVDVLD-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251453 1342347681 /nfs/dbraw/zinc/34/76/81/1342347681.db2.gz ZIMAZISFGNQGBH-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251453 1342347684 /nfs/dbraw/zinc/34/76/84/1342347684.db2.gz ZIMAZISFGNQGBH-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251453 1342347689 /nfs/dbraw/zinc/34/76/89/1342347689.db2.gz ZIMAZISFGNQGBH-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437563 1342500504 /nfs/dbraw/zinc/50/05/04/1342500504.db2.gz HJOKZYBVJPSMLJ-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035196237 1343009683 /nfs/dbraw/zinc/00/96/83/1343009683.db2.gz YWIQYDSFVGMUGM-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196237 1343009688 /nfs/dbraw/zinc/00/96/88/1343009688.db2.gz YWIQYDSFVGMUGM-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196237 1343009690 /nfs/dbraw/zinc/00/96/90/1343009690.db2.gz YWIQYDSFVGMUGM-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035809871 1343210275 /nfs/dbraw/zinc/21/02/75/1343210275.db2.gz CIURLRRNBGRYPR-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452227 1345075123 /nfs/dbraw/zinc/07/51/23/1345075123.db2.gz MMMUOABYEHMBJK-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381177 1348537053 /nfs/dbraw/zinc/53/70/53/1348537053.db2.gz LVJGBTJUKQFATB-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381177 1348537055 /nfs/dbraw/zinc/53/70/55/1348537055.db2.gz LVJGBTJUKQFATB-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381177 1348537057 /nfs/dbraw/zinc/53/70/57/1348537057.db2.gz LVJGBTJUKQFATB-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052516525 1348564166 /nfs/dbraw/zinc/56/41/66/1348564166.db2.gz PEJGJKSSDOTUCF-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516525 1348564168 /nfs/dbraw/zinc/56/41/68/1348564168.db2.gz PEJGJKSSDOTUCF-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516525 1348564170 /nfs/dbraw/zinc/56/41/70/1348564170.db2.gz PEJGJKSSDOTUCF-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107990 1348947971 /nfs/dbraw/zinc/94/79/71/1348947971.db2.gz OGFKDKVAFSWWEQ-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425864 1360418421 /nfs/dbraw/zinc/41/84/21/1360418421.db2.gz DNLNTVHENQYKSB-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425864 1360418423 /nfs/dbraw/zinc/41/84/23/1360418423.db2.gz DNLNTVHENQYKSB-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425864 1360418425 /nfs/dbraw/zinc/41/84/25/1360418425.db2.gz DNLNTVHENQYKSB-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472343 1360455403 /nfs/dbraw/zinc/45/54/03/1360455403.db2.gz GQRZOFSOJGDOKO-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472343 1360455405 /nfs/dbraw/zinc/45/54/05/1360455405.db2.gz GQRZOFSOJGDOKO-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472343 1360455408 /nfs/dbraw/zinc/45/54/08/1360455408.db2.gz GQRZOFSOJGDOKO-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001089649634 1360562525 /nfs/dbraw/zinc/56/25/25/1360562525.db2.gz MBDZTZYGZGKDQI-OALUTQOASA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649634 1360562526 /nfs/dbraw/zinc/56/25/26/1360562526.db2.gz MBDZTZYGZGKDQI-OALUTQOASA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649634 1360562527 /nfs/dbraw/zinc/56/25/27/1360562527.db2.gz MBDZTZYGZGKDQI-OALUTQOASA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120736 1361533256 /nfs/dbraw/zinc/53/32/56/1361533256.db2.gz LLQAVYUDBWUHOW-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120736 1361533258 /nfs/dbraw/zinc/53/32/58/1361533258.db2.gz LLQAVYUDBWUHOW-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120736 1361533261 /nfs/dbraw/zinc/53/32/61/1361533261.db2.gz LLQAVYUDBWUHOW-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CCCC)CCC[C@@H]12 ZINC001094555658 1361857686 /nfs/dbraw/zinc/85/76/86/1361857686.db2.gz FZPPMCRXWOGJAJ-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CCCC)CCC[C@@H]12 ZINC001094555658 1361857690 /nfs/dbraw/zinc/85/76/90/1361857690.db2.gz FZPPMCRXWOGJAJ-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CCCC)CCC[C@@H]12 ZINC001094555658 1361857694 /nfs/dbraw/zinc/85/76/94/1361857694.db2.gz FZPPMCRXWOGJAJ-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098821599 1363481978 /nfs/dbraw/zinc/48/19/78/1363481978.db2.gz PVCKYXIELKRVIK-AZUAARDMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098976062 1363550494 /nfs/dbraw/zinc/55/04/94/1363550494.db2.gz PYWJJMHGTWEFLM-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976062 1363550498 /nfs/dbraw/zinc/55/04/98/1363550498.db2.gz PYWJJMHGTWEFLM-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976062 1363550503 /nfs/dbraw/zinc/55/05/03/1363550503.db2.gz PYWJJMHGTWEFLM-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001099084918 1363614798 /nfs/dbraw/zinc/61/47/98/1363614798.db2.gz HSMWREULMREBHF-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001099084918 1363614799 /nfs/dbraw/zinc/61/47/99/1363614799.db2.gz HSMWREULMREBHF-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001099084918 1363614804 /nfs/dbraw/zinc/61/48/04/1363614804.db2.gz HSMWREULMREBHF-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001099129992 1363641608 /nfs/dbraw/zinc/64/16/08/1363641608.db2.gz FNOOYWWNSCIPJN-SFHVURJKSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099129992 1363641610 /nfs/dbraw/zinc/64/16/10/1363641610.db2.gz FNOOYWWNSCIPJN-SFHVURJKSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099129992 1363641613 /nfs/dbraw/zinc/64/16/13/1363641613.db2.gz FNOOYWWNSCIPJN-SFHVURJKSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130844 1363643052 /nfs/dbraw/zinc/64/30/52/1363643052.db2.gz SXWZSKDIWRSSHA-KRWDZBQOSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130844 1363643055 /nfs/dbraw/zinc/64/30/55/1363643055.db2.gz SXWZSKDIWRSSHA-KRWDZBQOSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130844 1363643058 /nfs/dbraw/zinc/64/30/58/1363643058.db2.gz SXWZSKDIWRSSHA-KRWDZBQOSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099154048 1363660110 /nfs/dbraw/zinc/66/01/10/1363660110.db2.gz TYUJHBYRPDRELQ-RTBURBONSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001099347738 1363763953 /nfs/dbraw/zinc/76/39/53/1363763953.db2.gz CEPKFUXKJDEQEA-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001099347738 1363763961 /nfs/dbraw/zinc/76/39/61/1363763961.db2.gz CEPKFUXKJDEQEA-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001099347738 1363763965 /nfs/dbraw/zinc/76/39/65/1363763965.db2.gz CEPKFUXKJDEQEA-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001101546479 1364610359 /nfs/dbraw/zinc/61/03/59/1364610359.db2.gz CQBBEVFYQYHOTP-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426917 1365553444 /nfs/dbraw/zinc/55/34/44/1365553444.db2.gz SYIZYLKDECMNIH-GUDVDZBRSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103444658 1365564361 /nfs/dbraw/zinc/56/43/61/1365564361.db2.gz CXUNXOHGETZHHX-QRVBRYPASA-N 2 1 337.552 3.147 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103664696 1365712697 /nfs/dbraw/zinc/71/26/97/1365712697.db2.gz QLQMTLQBDQMQSJ-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103664696 1365712699 /nfs/dbraw/zinc/71/26/99/1365712699.db2.gz QLQMTLQBDQMQSJ-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CCC)C1 ZINC001103664696 1365712701 /nfs/dbraw/zinc/71/27/01/1365712701.db2.gz QLQMTLQBDQMQSJ-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355002 1365983771 /nfs/dbraw/zinc/98/37/71/1365983771.db2.gz JUFMOPKHLCBDPV-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105067281 1366304266 /nfs/dbraw/zinc/30/42/66/1366304266.db2.gz VFWZEJXTTQZJKR-RTBURBONSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518075 1366505253 /nfs/dbraw/zinc/50/52/53/1366505253.db2.gz QHEANSGMPAZQFG-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106348960 1366663845 /nfs/dbraw/zinc/66/38/45/1366663845.db2.gz ALYHDMOYOABXHV-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293982 1367043096 /nfs/dbraw/zinc/04/30/96/1367043096.db2.gz JRAJVMNUHUVKOU-FYQPLNBISA-N 2 1 347.547 3.020 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107616103 1367074656 /nfs/dbraw/zinc/07/46/56/1367074656.db2.gz SXJRGDYQTYVSJH-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107616103 1367074660 /nfs/dbraw/zinc/07/46/60/1367074660.db2.gz SXJRGDYQTYVSJH-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107616103 1367074666 /nfs/dbraw/zinc/07/46/66/1367074666.db2.gz SXJRGDYQTYVSJH-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190788260 1367350711 /nfs/dbraw/zinc/35/07/11/1367350711.db2.gz HYCKLYFJKASTRE-ROUUACIJSA-N 2 1 325.541 3.076 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115172 1367508018 /nfs/dbraw/zinc/50/80/18/1367508018.db2.gz QTCUFGBOGSZNQI-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191552011 1367525843 /nfs/dbraw/zinc/52/58/43/1367525843.db2.gz SLYJRCGIXFVWSB-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191552011 1367525846 /nfs/dbraw/zinc/52/58/46/1367525846.db2.gz SLYJRCGIXFVWSB-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191552011 1367525852 /nfs/dbraw/zinc/52/58/52/1367525852.db2.gz SLYJRCGIXFVWSB-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684691 1367560194 /nfs/dbraw/zinc/56/01/94/1367560194.db2.gz ULJDRHBRUQLEMV-SFHVURJKSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110684609 1367926174 /nfs/dbraw/zinc/92/61/74/1367926174.db2.gz QWVVWFMOYXCVCU-WTGUMLROSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684609 1367926176 /nfs/dbraw/zinc/92/61/76/1367926176.db2.gz QWVVWFMOYXCVCU-WTGUMLROSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684609 1367926181 /nfs/dbraw/zinc/92/61/81/1367926181.db2.gz QWVVWFMOYXCVCU-WTGUMLROSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785631 1368489448 /nfs/dbraw/zinc/48/94/48/1368489448.db2.gz SCUKYQWZXQSAAM-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785631 1368489450 /nfs/dbraw/zinc/48/94/50/1368489450.db2.gz SCUKYQWZXQSAAM-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785631 1368489453 /nfs/dbraw/zinc/48/94/53/1368489453.db2.gz SCUKYQWZXQSAAM-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001196275725 1368581929 /nfs/dbraw/zinc/58/19/29/1368581929.db2.gz MTFYICXYGULGKW-PMACEKPBSA-N 2 1 347.547 3.284 20 30 EGEDMP CCCCCCC[N@@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935819 1368716348 /nfs/dbraw/zinc/71/63/48/1368716348.db2.gz ZEKHHPSNLPUKLN-UHFFFAOYSA-N 2 1 349.519 3.460 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196935819 1368716351 /nfs/dbraw/zinc/71/63/51/1368716351.db2.gz ZEKHHPSNLPUKLN-UHFFFAOYSA-N 2 1 349.519 3.460 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197332665 1368789891 /nfs/dbraw/zinc/78/98/91/1368789891.db2.gz YAVIKTAFDMXBRL-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332665 1368789894 /nfs/dbraw/zinc/78/98/94/1368789894.db2.gz YAVIKTAFDMXBRL-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332665 1368789898 /nfs/dbraw/zinc/78/98/98/1368789898.db2.gz YAVIKTAFDMXBRL-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112396956 1368822378 /nfs/dbraw/zinc/82/23/78/1368822378.db2.gz MDXYPLUCWZDXHN-ZJOUEHCJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484786 1368824461 /nfs/dbraw/zinc/82/44/61/1368824461.db2.gz JFYBCCMTSKJOEM-OALUTQOASA-N 2 1 337.552 3.242 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112437126 1368852691 /nfs/dbraw/zinc/85/26/91/1368852691.db2.gz YQBSPHQRVDUZAP-WFXMLNOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597087 1387979614 /nfs/dbraw/zinc/97/96/14/1387979614.db2.gz FJELIUHOLSFIHD-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001186605222 1387983983 /nfs/dbraw/zinc/98/39/83/1387983983.db2.gz MARWVOXXNQFCLG-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)CC1 ZINC001186605222 1387983988 /nfs/dbraw/zinc/98/39/88/1387983988.db2.gz MARWVOXXNQFCLG-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)CC1 ZINC001186605222 1387983989 /nfs/dbraw/zinc/98/39/89/1387983989.db2.gz MARWVOXXNQFCLG-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252429 1369293071 /nfs/dbraw/zinc/29/30/71/1369293071.db2.gz OLGGTINXJCMAAD-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001113419635 1369413927 /nfs/dbraw/zinc/41/39/27/1369413927.db2.gz YCWPMMXCWMQXSL-RTBURBONSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001113419635 1369413931 /nfs/dbraw/zinc/41/39/31/1369413931.db2.gz YCWPMMXCWMQXSL-RTBURBONSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCCCC[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001201838872 1369632655 /nfs/dbraw/zinc/63/26/55/1369632655.db2.gz FTOVYFPEIDMQLG-WOJBJXKFSA-N 2 1 340.552 3.406 20 30 EGEDMP CCCCCCCCC[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001201838872 1369632658 /nfs/dbraw/zinc/63/26/58/1369632658.db2.gz FTOVYFPEIDMQLG-WOJBJXKFSA-N 2 1 340.552 3.406 20 30 EGEDMP CCCCCCCCC[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001201838872 1369632662 /nfs/dbraw/zinc/63/26/62/1369632662.db2.gz FTOVYFPEIDMQLG-WOJBJXKFSA-N 2 1 340.552 3.406 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203035996 1369962894 /nfs/dbraw/zinc/96/28/94/1369962894.db2.gz IRPRBMUCNWWJPC-OALUTQOASA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114629771 1369999444 /nfs/dbraw/zinc/99/94/44/1369999444.db2.gz NGHZWSKNMFIFRL-RUYXUALKSA-N 2 1 349.563 3.268 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203506742 1370148236 /nfs/dbraw/zinc/14/82/36/1370148236.db2.gz LEVUSOGRSMYZQN-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338008 1370394200 /nfs/dbraw/zinc/39/42/00/1370394200.db2.gz BOEHOSSRMVJWOL-KXTWHKPSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001115545098 1370541894 /nfs/dbraw/zinc/54/18/94/1370541894.db2.gz QJOXIZSCXRCFRU-KRWDZBQOSA-N 2 1 346.519 3.381 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115573034 1370575163 /nfs/dbraw/zinc/57/51/63/1370575163.db2.gz FEZJVAOKRMAXAW-GOSISDBHSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115687950 1370671242 /nfs/dbraw/zinc/67/12/42/1370671242.db2.gz CNQVVZYKTIMJEY-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205639104 1370823409 /nfs/dbraw/zinc/82/34/09/1370823409.db2.gz VWFAPQNRDXUMMY-GXTWGEPZSA-N 2 1 336.277 3.128 20 30 EGEDMP CC(C)[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206598776 1371105649 /nfs/dbraw/zinc/10/56/49/1371105649.db2.gz MOLAHDIXLLIZEG-INIZCTEOSA-N 2 1 332.467 3.116 20 30 EGEDMP CC(C)[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)[C@H]1CCC[NH2+]CC1 ZINC001206598776 1371105652 /nfs/dbraw/zinc/10/56/52/1371105652.db2.gz MOLAHDIXLLIZEG-INIZCTEOSA-N 2 1 332.467 3.116 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974727 1371254472 /nfs/dbraw/zinc/25/44/72/1371254472.db2.gz OYJHMHHCBRQGED-FGTMMUONSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120366308 1371549804 /nfs/dbraw/zinc/54/98/04/1371549804.db2.gz YTZYZUXSTCAKCH-QZTJIDSGSA-N 2 1 344.503 3.012 20 30 EGEDMP C=CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001120429786 1371573293 /nfs/dbraw/zinc/57/32/93/1371573293.db2.gz BDTOIRWSLXBSEP-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001120429786 1371573295 /nfs/dbraw/zinc/57/32/95/1371573295.db2.gz BDTOIRWSLXBSEP-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001120429786 1371573301 /nfs/dbraw/zinc/57/33/01/1371573301.db2.gz BDTOIRWSLXBSEP-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430700 1371574412 /nfs/dbraw/zinc/57/44/12/1371574412.db2.gz MKRCJTQDBLDKJU-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208279238 1371694842 /nfs/dbraw/zinc/69/48/42/1371694842.db2.gz LETNFKRTEJJJMU-RTBURBONSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194033 1371885340 /nfs/dbraw/zinc/88/53/40/1371885340.db2.gz NMWTVCGQURBJDH-SGPNKGFISA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121245952 1371907014 /nfs/dbraw/zinc/90/70/14/1371907014.db2.gz JGBINAUPHGQHBZ-UHFFFAOYSA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007335 1371972565 /nfs/dbraw/zinc/97/25/65/1371972565.db2.gz QWNNYDJMXWYPLL-QZTJIDSGSA-N 2 1 348.535 3.413 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209007335 1371972571 /nfs/dbraw/zinc/97/25/71/1371972571.db2.gz QWNNYDJMXWYPLL-QZTJIDSGSA-N 2 1 348.535 3.413 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001121919009 1372122748 /nfs/dbraw/zinc/12/27/48/1372122748.db2.gz MVIPNZCVHRYBJU-UHFFFAOYSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001121978396 1372142797 /nfs/dbraw/zinc/14/27/97/1372142797.db2.gz NPXNKUOUXONVLY-IHPCNDPISA-N 2 1 343.515 3.087 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209661210 1372164401 /nfs/dbraw/zinc/16/44/01/1372164401.db2.gz VDVQJEPHAPNIFW-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971366 1388201343 /nfs/dbraw/zinc/20/13/43/1388201343.db2.gz KOCQRUWDJIJIMY-VNTMZGSJSA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971366 1388201346 /nfs/dbraw/zinc/20/13/46/1388201346.db2.gz KOCQRUWDJIJIMY-VNTMZGSJSA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971366 1388201349 /nfs/dbraw/zinc/20/13/49/1388201349.db2.gz KOCQRUWDJIJIMY-VNTMZGSJSA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211256594 1372513304 /nfs/dbraw/zinc/51/33/04/1372513304.db2.gz JRPSLYUTKCLLDD-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246898 1388274995 /nfs/dbraw/zinc/27/49/95/1388274995.db2.gz OZKZOYJZFVPIGC-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246898 1388275000 /nfs/dbraw/zinc/27/50/00/1388275000.db2.gz OZKZOYJZFVPIGC-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246898 1388275005 /nfs/dbraw/zinc/27/50/05/1388275005.db2.gz OZKZOYJZFVPIGC-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225143340 1375094903 /nfs/dbraw/zinc/09/49/03/1375094903.db2.gz XNCFATPBCOHZED-FQEVSTJZSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132153642 1375172613 /nfs/dbraw/zinc/17/26/13/1375172613.db2.gz RTTLUEIZHBSKIO-ROUUACIJSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132153642 1375172616 /nfs/dbraw/zinc/17/26/16/1375172616.db2.gz RTTLUEIZHBSKIO-ROUUACIJSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132153642 1375172619 /nfs/dbraw/zinc/17/26/19/1375172619.db2.gz RTTLUEIZHBSKIO-ROUUACIJSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227082895 1375386326 /nfs/dbraw/zinc/38/63/26/1375386326.db2.gz KSODFDSYIOIJBJ-GUDVDZBRSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541559 1375449580 /nfs/dbraw/zinc/44/95/80/1375449580.db2.gz HEBDXKAJDSJIDC-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541559 1375449582 /nfs/dbraw/zinc/44/95/82/1375449582.db2.gz HEBDXKAJDSJIDC-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541559 1375449586 /nfs/dbraw/zinc/44/95/86/1375449586.db2.gz HEBDXKAJDSJIDC-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541559 1375449588 /nfs/dbraw/zinc/44/95/88/1375449588.db2.gz HEBDXKAJDSJIDC-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227792778 1375475605 /nfs/dbraw/zinc/47/56/05/1375475605.db2.gz VLAUOVQCWLWHBM-SFHVURJKSA-N 2 1 344.503 3.088 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001228604078 1375612390 /nfs/dbraw/zinc/61/23/90/1375612390.db2.gz WZEODVHUDDRPST-GUDVDZBRSA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133166532 1375819902 /nfs/dbraw/zinc/81/99/02/1375819902.db2.gz UZYMGEHVTAESQB-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001229652271 1375871958 /nfs/dbraw/zinc/87/19/58/1375871958.db2.gz KHIBMTPGNDWAGY-AQNXPRMDSA-N 2 1 343.515 3.273 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230617604 1376104379 /nfs/dbraw/zinc/10/43/79/1376104379.db2.gz DJBFGGSUYKURGI-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230617604 1376104380 /nfs/dbraw/zinc/10/43/80/1376104380.db2.gz DJBFGGSUYKURGI-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230617604 1376104381 /nfs/dbraw/zinc/10/43/81/1376104381.db2.gz DJBFGGSUYKURGI-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790425 1376722590 /nfs/dbraw/zinc/72/25/90/1376722590.db2.gz CGLMNKQVGDZXEN-LSDHHAIUSA-N 2 1 343.943 3.265 20 30 EGEDMP N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C2)c1 ZINC001235968324 1376924581 /nfs/dbraw/zinc/92/45/81/1376924581.db2.gz HDYVGWSBBADARF-QFIPXVFZSA-N 2 1 347.462 3.247 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135627185 1377167935 /nfs/dbraw/zinc/16/79/35/1377167935.db2.gz XSOXVZLWGXERJN-IAGOWNOFSA-N 2 1 334.508 3.236 20 30 EGEDMP C#CC[N@H+](C)Cc1ccccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001139513380 1377895364 /nfs/dbraw/zinc/89/53/64/1377895364.db2.gz RDVXEXOAYONZJE-UHFFFAOYSA-N 2 1 333.479 3.074 20 30 EGEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001147457321 1379025110 /nfs/dbraw/zinc/02/51/10/1379025110.db2.gz DYYYWTWTADMANG-LJQANCHMSA-N 2 1 331.504 3.132 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001147749175 1379072406 /nfs/dbraw/zinc/07/24/06/1379072406.db2.gz UXXYCLUULOEOPA-SFHVURJKSA-N 2 1 337.552 3.077 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361602 1380063873 /nfs/dbraw/zinc/06/38/73/1380063873.db2.gz AUOKGNOGVJOKJK-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153361602 1380063877 /nfs/dbraw/zinc/06/38/77/1380063877.db2.gz AUOKGNOGVJOKJK-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153361602 1380063881 /nfs/dbraw/zinc/06/38/81/1380063881.db2.gz AUOKGNOGVJOKJK-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156318526 1380557178 /nfs/dbraw/zinc/55/71/78/1380557178.db2.gz DIDZLWDDAHBJAI-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318526 1380557181 /nfs/dbraw/zinc/55/71/81/1380557181.db2.gz DIDZLWDDAHBJAI-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318526 1380557182 /nfs/dbraw/zinc/55/71/82/1380557182.db2.gz DIDZLWDDAHBJAI-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100009 1381127205 /nfs/dbraw/zinc/12/72/05/1381127205.db2.gz UTBIHICPZHOMAB-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001158164688 1381146007 /nfs/dbraw/zinc/14/60/07/1381146007.db2.gz LTJODNWALACSCH-GOSISDBHSA-N 2 1 340.471 3.145 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434909 1381245133 /nfs/dbraw/zinc/24/51/33/1381245133.db2.gz PFWPREXKISBYCF-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751081 1381383345 /nfs/dbraw/zinc/38/33/45/1381383345.db2.gz SWLYUSJITHBHGV-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751081 1381383356 /nfs/dbraw/zinc/38/33/56/1381383356.db2.gz SWLYUSJITHBHGV-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751081 1381383365 /nfs/dbraw/zinc/38/33/65/1381383365.db2.gz SWLYUSJITHBHGV-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158781754 1381396480 /nfs/dbraw/zinc/39/64/80/1381396480.db2.gz RAQXXLIDADADNX-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158781754 1381396485 /nfs/dbraw/zinc/39/64/85/1381396485.db2.gz RAQXXLIDADADNX-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158781754 1381396487 /nfs/dbraw/zinc/39/64/87/1381396487.db2.gz RAQXXLIDADADNX-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160499699 1382124148 /nfs/dbraw/zinc/12/41/48/1382124148.db2.gz GOMYDXGKMHECFB-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499699 1382124152 /nfs/dbraw/zinc/12/41/52/1382124152.db2.gz GOMYDXGKMHECFB-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499699 1382124153 /nfs/dbraw/zinc/12/41/53/1382124153.db2.gz GOMYDXGKMHECFB-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568482 1382145505 /nfs/dbraw/zinc/14/55/05/1382145505.db2.gz WCWHGXCFGZGLRO-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568482 1382145512 /nfs/dbraw/zinc/14/55/12/1382145512.db2.gz WCWHGXCFGZGLRO-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568482 1382145515 /nfs/dbraw/zinc/14/55/15/1382145515.db2.gz WCWHGXCFGZGLRO-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161213611 1382343967 /nfs/dbraw/zinc/34/39/67/1382343967.db2.gz LLRSAMZGYHLZKJ-LJQANCHMSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220084 1382347028 /nfs/dbraw/zinc/34/70/28/1382347028.db2.gz SWJFHJLPGNELTN-SFHVURJKSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444965 1382413145 /nfs/dbraw/zinc/41/31/45/1382413145.db2.gz NTTUSGONGMZWFC-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444965 1382413149 /nfs/dbraw/zinc/41/31/49/1382413149.db2.gz NTTUSGONGMZWFC-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444965 1382413152 /nfs/dbraw/zinc/41/31/52/1382413152.db2.gz NTTUSGONGMZWFC-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP CC(C)[Si](C#C[NH2+]Cc1nnn2c1C[NH2+]CCC2)(C(C)C)C(C)C ZINC001162971377 1382932777 /nfs/dbraw/zinc/93/27/77/1382932777.db2.gz FPUAAXZNYGEJHF-UHFFFAOYSA-N 2 1 347.583 3.040 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001165501111 1383303889 /nfs/dbraw/zinc/30/38/89/1383303889.db2.gz AIONQZODZDQLRQ-UHFFFAOYSA-N 2 1 337.552 3.317 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165568797 1383311781 /nfs/dbraw/zinc/31/17/81/1383311781.db2.gz LWHCLGOUUOZJDW-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C[C@@H]1CC([NH2+]Cc2ccc(C#N)nc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034903 1383801479 /nfs/dbraw/zinc/80/14/79/1383801479.db2.gz RMSHDYOOZDUYNQ-IAGOWNOFSA-N 2 1 334.467 3.484 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001171189560 1384464982 /nfs/dbraw/zinc/46/49/82/1384464982.db2.gz HJXGAVYLWFKAGR-XXMUNEJQSA-N 2 1 331.463 3.209 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001171189560 1384464985 /nfs/dbraw/zinc/46/49/85/1384464985.db2.gz HJXGAVYLWFKAGR-XXMUNEJQSA-N 2 1 331.463 3.209 20 30 EGEDMP COc1ccc(C2([NH3+])CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171200878 1384467465 /nfs/dbraw/zinc/46/74/65/1384467465.db2.gz DIGXZTOPTYXACM-KRWDZBQOSA-N 2 1 349.478 3.448 20 30 EGEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)CCCC#N)CC2)cc1 ZINC001172487754 1384802850 /nfs/dbraw/zinc/80/28/50/1384802850.db2.gz JBYLNRDDQZZZQQ-QGZVFWFLSA-N 2 1 329.488 3.374 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175574339 1385336137 /nfs/dbraw/zinc/33/61/37/1385336137.db2.gz VIJXSABLXZFRKW-MOPGFXCFSA-N 2 1 337.552 3.480 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820640 1385713174 /nfs/dbraw/zinc/71/31/74/1385713174.db2.gz SJNSNIYJJFRKPX-LJQANCHMSA-N 2 1 345.531 3.349 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820640 1385713178 /nfs/dbraw/zinc/71/31/78/1385713178.db2.gz SJNSNIYJJFRKPX-LJQANCHMSA-N 2 1 345.531 3.349 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001177394218 1385941281 /nfs/dbraw/zinc/94/12/81/1385941281.db2.gz CERYJANHUASZAI-FQEVSTJZSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488759 1385975866 /nfs/dbraw/zinc/97/58/66/1385975866.db2.gz LAFCAERTWOFVDB-UHFFFAOYSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178692809 1386279549 /nfs/dbraw/zinc/27/95/49/1386279549.db2.gz BYQUWSXLXCWXKR-LJQANCHMSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182000589 1387092124 /nfs/dbraw/zinc/09/21/24/1387092124.db2.gz FASMKAHSNKQKCR-SVFBPWRDSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001716726407 1420884994 /nfs/dbraw/zinc/88/49/94/1420884994.db2.gz JUQZZDAVHAVSLO-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752971465 1440255102 /nfs/dbraw/zinc/25/51/02/1440255102.db2.gz MODYRFGWCBGIBN-IRXDYDNUSA-N 2 1 335.536 3.233 20 30 EGEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001753570125 1440438291 /nfs/dbraw/zinc/43/82/91/1440438291.db2.gz BXPIKZWTPWTFKK-UXHICEINSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001754558572 1440632959 /nfs/dbraw/zinc/63/29/59/1440632959.db2.gz WONGOYWMGPCNQK-NRFANRHFSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001754558572 1440632960 /nfs/dbraw/zinc/63/29/60/1440632960.db2.gz WONGOYWMGPCNQK-NRFANRHFSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001754558572 1440632961 /nfs/dbraw/zinc/63/29/61/1440632961.db2.gz WONGOYWMGPCNQK-NRFANRHFSA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001754559373 1440633132 /nfs/dbraw/zinc/63/31/32/1440633132.db2.gz JUQZZDAVHAVSLO-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001754816479 1440692415 /nfs/dbraw/zinc/69/24/15/1440692415.db2.gz FBGGTJICMKKZEQ-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001754868228 1440703849 /nfs/dbraw/zinc/70/38/49/1440703849.db2.gz NWBZWUDXHBVEMR-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001754953143 1440715577 /nfs/dbraw/zinc/71/55/77/1440715577.db2.gz UHMDUBKYBIYZMU-BZSNNMDCSA-N 2 1 346.519 3.237 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001755024357 1440728060 /nfs/dbraw/zinc/72/80/60/1440728060.db2.gz XIBWXLPCCPQWLR-SFHVURJKSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001755141052 1440760399 /nfs/dbraw/zinc/76/03/99/1440760399.db2.gz ATEXKOWBBHNBHX-PKOBYXMFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC001755143593 1440762328 /nfs/dbraw/zinc/76/23/28/1440762328.db2.gz LTIWIZBKHKRFOC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755143593 1440762329 /nfs/dbraw/zinc/76/23/29/1440762329.db2.gz LTIWIZBKHKRFOC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755143593 1440762330 /nfs/dbraw/zinc/76/23/30/1440762330.db2.gz LTIWIZBKHKRFOC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755282163 1440800896 /nfs/dbraw/zinc/80/08/96/1440800896.db2.gz HYFNVMXYQLBJDR-LJQANCHMSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001755716625 1440905274 /nfs/dbraw/zinc/90/52/74/1440905274.db2.gz NLXVUYVNAWVEAG-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001755846342 1440933458 /nfs/dbraw/zinc/93/34/58/1440933458.db2.gz WCAZEJOQVXCMKA-QGZVFWFLSA-N 2 1 346.519 3.155 20 30 EGEDMP CN(Cc1ccc(Br)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286809079 201334019 /nfs/dbraw/zinc/33/40/19/201334019.db2.gz JMTZFAHRRSKBJO-SJPCQFCGSA-N 2 1 348.288 3.378 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000268669631 252121974 /nfs/dbraw/zinc/12/19/74/252121974.db2.gz KARWKGCEXTUZMH-PZJWPPBQSA-N 2 1 341.499 3.036 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000268669631 252121977 /nfs/dbraw/zinc/12/19/77/252121977.db2.gz KARWKGCEXTUZMH-PZJWPPBQSA-N 2 1 341.499 3.036 20 30 EGEDMP CC(C)C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000181460377 455337798 /nfs/dbraw/zinc/33/77/98/455337798.db2.gz RQZDRURFXLYUKW-OAQYLSRUSA-N 2 1 342.531 3.089 20 30 EGEDMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCCCC#N ZINC000092253869 454542137 /nfs/dbraw/zinc/54/21/37/454542137.db2.gz JEUUAIDCKYZNOV-SFHVURJKSA-N 2 1 345.487 3.151 20 30 EGEDMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCCCC#N ZINC000092253869 454542140 /nfs/dbraw/zinc/54/21/40/454542140.db2.gz JEUUAIDCKYZNOV-SFHVURJKSA-N 2 1 345.487 3.151 20 30 EGEDMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCCCC#N ZINC000092253869 454542145 /nfs/dbraw/zinc/54/21/45/454542145.db2.gz JEUUAIDCKYZNOV-SFHVURJKSA-N 2 1 345.487 3.151 20 30 EGEDMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCCCC#N ZINC000092253869 454542147 /nfs/dbraw/zinc/54/21/47/454542147.db2.gz JEUUAIDCKYZNOV-SFHVURJKSA-N 2 1 345.487 3.151 20 30 EGEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000052119978 454656733 /nfs/dbraw/zinc/65/67/33/454656733.db2.gz DMGCMXWYUUHDGM-UHFFFAOYSA-N 2 1 346.434 3.432 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000153035311 454754976 /nfs/dbraw/zinc/75/49/76/454754976.db2.gz DGNMYJWTYYFZJC-QGZVFWFLSA-N 2 1 329.488 3.058 20 30 EGEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC1CCCCC1 ZINC000114461170 454955656 /nfs/dbraw/zinc/95/56/56/454955656.db2.gz XYKQWNQDIMLCKR-UHFFFAOYSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623655943 460663068 /nfs/dbraw/zinc/66/30/68/460663068.db2.gz JHLSFUQBLGXBFF-GOSISDBHSA-N 2 1 332.488 3.472 20 30 EGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC#Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000192061163 455551587 /nfs/dbraw/zinc/55/15/87/455551587.db2.gz LVWBLERJXYIZHD-BGYRXZFFSA-N 2 1 340.511 3.249 20 30 EGEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1cc(F)ccc1F ZINC000288747795 456104700 /nfs/dbraw/zinc/10/47/00/456104700.db2.gz QFMHSYIKZGTEER-UHFFFAOYSA-N 2 1 344.409 3.140 20 30 EGEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000299461929 456699218 /nfs/dbraw/zinc/69/92/18/456699218.db2.gz ZMTYNRBDSUXUAR-GOSISDBHSA-N 2 1 345.487 3.199 20 30 EGEDMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCCCC#N ZINC000277351956 456790246 /nfs/dbraw/zinc/79/02/46/456790246.db2.gz DVVNRSYYUFCOFQ-SFHVURJKSA-N 2 1 345.487 3.294 20 30 EGEDMP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OCCCC#N ZINC000277351956 456790255 /nfs/dbraw/zinc/79/02/55/456790255.db2.gz DVVNRSYYUFCOFQ-SFHVURJKSA-N 2 1 345.487 3.294 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000436289613 458283559 /nfs/dbraw/zinc/28/35/59/458283559.db2.gz XSMPSKYKVYMBJO-CTWRKMMKSA-N 2 1 340.511 3.468 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453171893 458521714 /nfs/dbraw/zinc/52/17/14/458521714.db2.gz XCQDZKKJPSUSKK-BQJUDKOJSA-N 2 1 328.500 3.204 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000481173817 459237658 /nfs/dbraw/zinc/23/76/58/459237658.db2.gz GXUSOWIUPQJHLX-XMSQKQJNSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000481173817 459237662 /nfs/dbraw/zinc/23/76/62/459237662.db2.gz GXUSOWIUPQJHLX-XMSQKQJNSA-N 2 1 349.478 3.437 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000574684583 459854412 /nfs/dbraw/zinc/85/44/12/459854412.db2.gz OOARXIICWWJYFP-QFIPXVFZSA-N 2 1 338.495 3.373 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598701400 459999534 /nfs/dbraw/zinc/99/95/34/459999534.db2.gz USVYKEDLDYQLJJ-XLIONFOSSA-N 2 1 343.515 3.451 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602652131 460044868 /nfs/dbraw/zinc/04/48/68/460044868.db2.gz WIFXPKIVIMTXGW-UYAOXDASSA-N 2 1 341.499 3.197 20 30 EGEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+](C)C2CCCC2)c1 ZINC000304762542 1296941617 /nfs/dbraw/zinc/94/16/17/1296941617.db2.gz VUICDFHCEUYKQP-UHFFFAOYSA-N 2 1 348.491 3.085 20 30 EGEDMP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000778165715 1304407911 /nfs/dbraw/zinc/40/79/11/1304407911.db2.gz QFHSQSZGZYMMJG-AWEZNQCLSA-N 2 1 331.847 3.283 20 30 EGEDMP C#CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000817275342 1319310123 /nfs/dbraw/zinc/31/01/23/1319310123.db2.gz FQOPRACPVLZIFS-JOCHJYFZSA-N 2 1 334.463 3.373 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369521 1319482131 /nfs/dbraw/zinc/48/21/31/1319482131.db2.gz FFBOIVFUTCCLLE-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369521 1319482135 /nfs/dbraw/zinc/48/21/35/1319482135.db2.gz FFBOIVFUTCCLLE-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369521 1319482144 /nfs/dbraw/zinc/48/21/44/1319482144.db2.gz FFBOIVFUTCCLLE-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961401679 1319558208 /nfs/dbraw/zinc/55/82/08/1319558208.db2.gz NITRAVYPXFDCOL-VQTJNVASSA-N 2 1 349.563 3.099 20 30 EGEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C#N)ccc1Br ZINC000921775717 1322397106 /nfs/dbraw/zinc/39/71/06/1322397106.db2.gz XPPSCTSGFNADCO-UHFFFAOYSA-N 2 1 347.260 3.396 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025257648 1324064177 /nfs/dbraw/zinc/06/41/77/1324064177.db2.gz FMNXYNYZIBCPEB-RTBURBONSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266793 1324079740 /nfs/dbraw/zinc/07/97/40/1324079740.db2.gz LPUNDGHJSFFBCC-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266793 1324079746 /nfs/dbraw/zinc/07/97/46/1324079746.db2.gz LPUNDGHJSFFBCC-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266793 1324079749 /nfs/dbraw/zinc/07/97/49/1324079749.db2.gz LPUNDGHJSFFBCC-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025274569 1324093200 /nfs/dbraw/zinc/09/32/00/1324093200.db2.gz KRNBMMCUWQUJHX-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025466044 1324312729 /nfs/dbraw/zinc/31/27/29/1324312729.db2.gz ZLRPHFDBZJYNQW-WBVHZDCISA-N 2 1 340.471 3.049 20 30 EGEDMP CC(C)[N@H+]1CCCC[C@@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000853643066 1325140343 /nfs/dbraw/zinc/14/03/43/1325140343.db2.gz PEAPEQDOEMUOEY-HXUWFJFHSA-N 2 1 345.487 3.137 20 30 EGEDMP CC(C)[N@H+]1CCCC[C@@H]1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000853643066 1325140354 /nfs/dbraw/zinc/14/03/54/1325140354.db2.gz PEAPEQDOEMUOEY-HXUWFJFHSA-N 2 1 345.487 3.137 20 30 EGEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926590374 1327628747 /nfs/dbraw/zinc/62/87/47/1327628747.db2.gz BNQBTWHZKCPWHO-UDEWTMQYSA-N 2 1 328.500 3.405 20 30 EGEDMP CCCCCCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000862356551 1329477426 /nfs/dbraw/zinc/47/74/26/1329477426.db2.gz YCEWJTOEZNZSFE-UHFFFAOYSA-N 2 1 337.552 3.269 20 30 EGEDMP C=C[C@H](CC)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000934280462 1329961779 /nfs/dbraw/zinc/96/17/79/1329961779.db2.gz CITCLDWCNXZQBN-GOSISDBHSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829821 1333701792 /nfs/dbraw/zinc/70/17/92/1333701792.db2.gz XDUYCHLZXJIHOV-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969060006 1336133731 /nfs/dbraw/zinc/13/37/31/1336133731.db2.gz UVTCRUZXWOZLPU-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060006 1336133734 /nfs/dbraw/zinc/13/37/34/1336133734.db2.gz UVTCRUZXWOZLPU-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060006 1336133739 /nfs/dbraw/zinc/13/37/39/1336133739.db2.gz UVTCRUZXWOZLPU-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969108467 1336146533 /nfs/dbraw/zinc/14/65/33/1336146533.db2.gz CEBDNFVEBFCWEX-HXUWFJFHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001008086563 1336766369 /nfs/dbraw/zinc/76/63/69/1336766369.db2.gz CWVFLHXIXDLEQP-SFHVURJKSA-N 2 1 338.455 3.033 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273774 1336811757 /nfs/dbraw/zinc/81/17/57/1336811757.db2.gz AHFLJEMJXHULDM-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008273774 1336811760 /nfs/dbraw/zinc/81/17/60/1336811760.db2.gz AHFLJEMJXHULDM-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008273774 1336811761 /nfs/dbraw/zinc/81/17/61/1336811761.db2.gz AHFLJEMJXHULDM-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366385 1341797834 /nfs/dbraw/zinc/79/78/34/1341797834.db2.gz WQQAWKJBSKQIDW-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366385 1341797835 /nfs/dbraw/zinc/79/78/35/1341797835.db2.gz WQQAWKJBSKQIDW-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366385 1341797837 /nfs/dbraw/zinc/79/78/37/1341797837.db2.gz WQQAWKJBSKQIDW-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248422 1342345745 /nfs/dbraw/zinc/34/57/45/1342345745.db2.gz BXZBDGLGSVGTHC-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248422 1342345749 /nfs/dbraw/zinc/34/57/49/1342345749.db2.gz BXZBDGLGSVGTHC-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248422 1342345753 /nfs/dbraw/zinc/34/57/53/1342345753.db2.gz BXZBDGLGSVGTHC-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035188567 1343001902 /nfs/dbraw/zinc/00/19/02/1343001902.db2.gz GAKPACNSLGLDJH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035188567 1343001905 /nfs/dbraw/zinc/00/19/05/1343001905.db2.gz GAKPACNSLGLDJH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035188567 1343001908 /nfs/dbraw/zinc/00/19/08/1343001908.db2.gz GAKPACNSLGLDJH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035234111 1343056344 /nfs/dbraw/zinc/05/63/44/1343056344.db2.gz SFGKIGZZLJHTBS-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041722799 1345831772 /nfs/dbraw/zinc/83/17/72/1345831772.db2.gz AGANSZZNCMTIFB-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722799 1345831775 /nfs/dbraw/zinc/83/17/75/1345831775.db2.gz AGANSZZNCMTIFB-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722799 1345831777 /nfs/dbraw/zinc/83/17/77/1345831777.db2.gz AGANSZZNCMTIFB-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376860 1348535250 /nfs/dbraw/zinc/53/52/50/1348535250.db2.gz JYWGNKXDBPISJJ-GOSISDBHSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088538 1348914505 /nfs/dbraw/zinc/91/45/05/1348914505.db2.gz XCZHXPWDEZPHRE-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088538 1348914507 /nfs/dbraw/zinc/91/45/07/1348914507.db2.gz XCZHXPWDEZPHRE-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088538 1348914510 /nfs/dbraw/zinc/91/45/10/1348914510.db2.gz XCZHXPWDEZPHRE-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)cc2C1 ZINC001054284789 1349287307 /nfs/dbraw/zinc/28/73/07/1349287307.db2.gz HYYLKUAEVZKQIR-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)cc2C1 ZINC001054284789 1349287313 /nfs/dbraw/zinc/28/73/13/1349287313.db2.gz HYYLKUAEVZKQIR-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054284789 1349287316 /nfs/dbraw/zinc/28/73/16/1349287316.db2.gz HYYLKUAEVZKQIR-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054284789 1349287319 /nfs/dbraw/zinc/28/73/19/1349287319.db2.gz HYYLKUAEVZKQIR-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071629217 1354812601 /nfs/dbraw/zinc/81/26/01/1354812601.db2.gz XFGAHUWKTVTCGS-RDJZCZTQSA-N 2 1 340.471 3.192 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994306 1358949576 /nfs/dbraw/zinc/94/95/76/1358949576.db2.gz INXOAIVZJDOJCU-KRWDZBQOSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402059 1360401508 /nfs/dbraw/zinc/40/15/08/1360401508.db2.gz AKEJRGOWNGIHGA-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402059 1360401511 /nfs/dbraw/zinc/40/15/11/1360401511.db2.gz AKEJRGOWNGIHGA-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402059 1360401515 /nfs/dbraw/zinc/40/15/15/1360401515.db2.gz AKEJRGOWNGIHGA-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445402 1360434529 /nfs/dbraw/zinc/43/45/29/1360434529.db2.gz HWMCYZPUJAPLJX-MOPGFXCFSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662288 1360572720 /nfs/dbraw/zinc/57/27/20/1360572720.db2.gz AXVLVYNOPDLHFW-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662288 1360572722 /nfs/dbraw/zinc/57/27/22/1360572722.db2.gz AXVLVYNOPDLHFW-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662288 1360572724 /nfs/dbraw/zinc/57/27/24/1360572724.db2.gz AXVLVYNOPDLHFW-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089663592 1360573139 /nfs/dbraw/zinc/57/31/39/1360573139.db2.gz QDKTUKCPOAFBPR-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663592 1360573140 /nfs/dbraw/zinc/57/31/40/1360573140.db2.gz QDKTUKCPOAFBPR-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663592 1360573143 /nfs/dbraw/zinc/57/31/43/1360573143.db2.gz QDKTUKCPOAFBPR-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684033 1360589978 /nfs/dbraw/zinc/58/99/78/1360589978.db2.gz MTXMOLBILMFDFG-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684033 1360589979 /nfs/dbraw/zinc/58/99/79/1360589979.db2.gz MTXMOLBILMFDFG-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684033 1360589982 /nfs/dbraw/zinc/58/99/82/1360589982.db2.gz MTXMOLBILMFDFG-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089733796 1360638741 /nfs/dbraw/zinc/63/87/41/1360638741.db2.gz BUVKMXYRLOWUMN-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089733796 1360638742 /nfs/dbraw/zinc/63/87/42/1360638742.db2.gz BUVKMXYRLOWUMN-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089733796 1360638747 /nfs/dbraw/zinc/63/87/47/1360638747.db2.gz BUVKMXYRLOWUMN-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457097 1361808951 /nfs/dbraw/zinc/80/89/51/1361808951.db2.gz RBFXNEZASMQFOX-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094457097 1361808956 /nfs/dbraw/zinc/80/89/56/1361808956.db2.gz RBFXNEZASMQFOX-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094457097 1361808959 /nfs/dbraw/zinc/80/89/59/1361808959.db2.gz RBFXNEZASMQFOX-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094529470 1361846775 /nfs/dbraw/zinc/84/67/75/1361846775.db2.gz WEFWNHPXQXJPHH-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529470 1361846779 /nfs/dbraw/zinc/84/67/79/1361846779.db2.gz WEFWNHPXQXJPHH-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529470 1361846782 /nfs/dbraw/zinc/84/67/82/1361846782.db2.gz WEFWNHPXQXJPHH-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609045 1362596174 /nfs/dbraw/zinc/59/61/74/1362596174.db2.gz HJQSLRYDHAAWQM-HOJAQTOUSA-N 2 1 341.499 3.050 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219071 1362890591 /nfs/dbraw/zinc/89/05/91/1362890591.db2.gz RSRYNVWUNYVJQK-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097219071 1362890593 /nfs/dbraw/zinc/89/05/93/1362890593.db2.gz RSRYNVWUNYVJQK-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097219071 1362890597 /nfs/dbraw/zinc/89/05/97/1362890597.db2.gz RSRYNVWUNYVJQK-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695334 1363103092 /nfs/dbraw/zinc/10/30/92/1363103092.db2.gz XKXOTNDCJIQOMB-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097695334 1363103094 /nfs/dbraw/zinc/10/30/94/1363103094.db2.gz XKXOTNDCJIQOMB-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097695334 1363103095 /nfs/dbraw/zinc/10/30/95/1363103095.db2.gz XKXOTNDCJIQOMB-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153976 1363660150 /nfs/dbraw/zinc/66/01/50/1363660150.db2.gz RJRHMYCCMNCDJM-RTBURBONSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164703 1363665067 /nfs/dbraw/zinc/66/50/67/1363665067.db2.gz GQVGWZQYPPRUSM-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099166428 1363666307 /nfs/dbraw/zinc/66/63/07/1363666307.db2.gz WBNOUNSYMPYLIK-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270408 1363725840 /nfs/dbraw/zinc/72/58/40/1363725840.db2.gz KZIMZHHGTRACDR-GOSISDBHSA-N 2 1 346.519 3.155 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270408 1363725845 /nfs/dbraw/zinc/72/58/45/1363725845.db2.gz KZIMZHHGTRACDR-GOSISDBHSA-N 2 1 346.519 3.155 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281376 1363730033 /nfs/dbraw/zinc/73/00/33/1363730033.db2.gz TYJPETSXQDNOAP-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102101094 1364856503 /nfs/dbraw/zinc/85/65/03/1364856503.db2.gz MRJPPKHAXMBTNK-QZTJIDSGSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102101094 1364856508 /nfs/dbraw/zinc/85/65/08/1364856508.db2.gz MRJPPKHAXMBTNK-QZTJIDSGSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)CC)[C@H](C)C1 ZINC001102101094 1364856511 /nfs/dbraw/zinc/85/65/11/1364856511.db2.gz MRJPPKHAXMBTNK-QZTJIDSGSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185683016 1387777225 /nfs/dbraw/zinc/77/72/25/1387777225.db2.gz VRSFABWPCSHTTH-PKOBYXMFSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573117 1366082905 /nfs/dbraw/zinc/08/29/05/1366082905.db2.gz IEYIDYWITXHDAC-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683583 1366130582 /nfs/dbraw/zinc/13/05/82/1366130582.db2.gz MPXZSDVEUMHEIH-GUDVDZBRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104895645 1366213774 /nfs/dbraw/zinc/21/37/74/1366213774.db2.gz DPBLAMCBRMCHDQ-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539613 1366518796 /nfs/dbraw/zinc/51/87/96/1366518796.db2.gz LMRUMBWHQXCQPM-GUDVDZBRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563194 1366532937 /nfs/dbraw/zinc/53/29/37/1366532937.db2.gz GKUMPVYTVGDVIB-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189530998 1367046040 /nfs/dbraw/zinc/04/60/40/1367046040.db2.gz VONKHDNEJHXRNN-VQTJNVASSA-N 2 1 349.563 3.221 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307822 1367047639 /nfs/dbraw/zinc/04/76/39/1367047639.db2.gz DCANWPDWTBTPGD-BDXSIMOUSA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307822 1367047644 /nfs/dbraw/zinc/04/76/44/1367047644.db2.gz DCANWPDWTBTPGD-BDXSIMOUSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190657087 1367319977 /nfs/dbraw/zinc/31/99/77/1367319977.db2.gz ZACXSBPRPNKXOG-PMACEKPBSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190657087 1367319981 /nfs/dbraw/zinc/31/99/81/1367319981.db2.gz ZACXSBPRPNKXOG-PMACEKPBSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190657087 1367319986 /nfs/dbraw/zinc/31/99/86/1367319986.db2.gz ZACXSBPRPNKXOG-PMACEKPBSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108781592 1367593308 /nfs/dbraw/zinc/59/33/08/1367593308.db2.gz YQLDNFBEQOXXSW-FHWLQOOXSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947756 1367646085 /nfs/dbraw/zinc/64/60/85/1367646085.db2.gz KOPPHBATHASDJU-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191947756 1367646088 /nfs/dbraw/zinc/64/60/88/1367646088.db2.gz KOPPHBATHASDJU-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191947756 1367646094 /nfs/dbraw/zinc/64/60/94/1367646094.db2.gz KOPPHBATHASDJU-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192398757 1367773256 /nfs/dbraw/zinc/77/32/56/1367773256.db2.gz QVZWSOYKFVGEJT-SFHVURJKSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398757 1367773262 /nfs/dbraw/zinc/77/32/62/1367773262.db2.gz QVZWSOYKFVGEJT-SFHVURJKSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398757 1367773265 /nfs/dbraw/zinc/77/32/65/1367773265.db2.gz QVZWSOYKFVGEJT-SFHVURJKSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001110612420 1367872530 /nfs/dbraw/zinc/87/25/30/1367872530.db2.gz ALPKBHUMNWZBLG-ZACQAIPSSA-N 2 1 347.528 3.111 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001110612420 1367872535 /nfs/dbraw/zinc/87/25/35/1367872535.db2.gz ALPKBHUMNWZBLG-ZACQAIPSSA-N 2 1 347.528 3.111 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193374906 1368015686 /nfs/dbraw/zinc/01/56/86/1368015686.db2.gz ZRTQUEMTULGYNK-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193374906 1368015689 /nfs/dbraw/zinc/01/56/89/1368015689.db2.gz ZRTQUEMTULGYNK-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193374906 1368015691 /nfs/dbraw/zinc/01/56/91/1368015691.db2.gz ZRTQUEMTULGYNK-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193424509 1368027289 /nfs/dbraw/zinc/02/72/89/1368027289.db2.gz MUDMVRTUDNWLLR-KRWDZBQOSA-N 2 1 343.943 3.174 20 30 EGEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193424509 1368027292 /nfs/dbraw/zinc/02/72/92/1368027292.db2.gz MUDMVRTUDNWLLR-KRWDZBQOSA-N 2 1 343.943 3.174 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164325 1368174569 /nfs/dbraw/zinc/17/45/69/1368174569.db2.gz UACZMJLGVVMJEH-AKHDSKFASA-N 2 1 335.536 3.041 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245757 1368216723 /nfs/dbraw/zinc/21/67/23/1368216723.db2.gz DRZHSXGRFYHYSH-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194247338 1368217520 /nfs/dbraw/zinc/21/75/20/1368217520.db2.gz WWFXVZWXBWSRRU-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449672 1368264101 /nfs/dbraw/zinc/26/41/01/1368264101.db2.gz WSPBUFOTPDOMCH-QUCCMNQESA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449672 1368264106 /nfs/dbraw/zinc/26/41/06/1368264106.db2.gz WSPBUFOTPDOMCH-QUCCMNQESA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449672 1368264117 /nfs/dbraw/zinc/26/41/17/1368264117.db2.gz WSPBUFOTPDOMCH-QUCCMNQESA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449672 1368264120 /nfs/dbraw/zinc/26/41/20/1368264120.db2.gz WSPBUFOTPDOMCH-QUCCMNQESA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196164078 1368560821 /nfs/dbraw/zinc/56/08/21/1368560821.db2.gz XJNZCGFMCXTPOE-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196164078 1368560822 /nfs/dbraw/zinc/56/08/22/1368560822.db2.gz XJNZCGFMCXTPOE-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196164078 1368560823 /nfs/dbraw/zinc/56/08/23/1368560823.db2.gz XJNZCGFMCXTPOE-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)c2occc2CN(C)C)CC1 ZINC001196934277 1368715703 /nfs/dbraw/zinc/71/57/03/1368715703.db2.gz CMKAWJJEQFZBQJ-UHFFFAOYSA-N 2 1 347.503 3.236 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC001196934277 1368715707 /nfs/dbraw/zinc/71/57/07/1368715707.db2.gz CMKAWJJEQFZBQJ-UHFFFAOYSA-N 2 1 347.503 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112380702 1368808235 /nfs/dbraw/zinc/80/82/35/1368808235.db2.gz VJTXVGNEESKTIY-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112397215 1368822226 /nfs/dbraw/zinc/82/22/26/1368822226.db2.gz XGPMZLJVNSJSCV-ZJOUEHCJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001197660200 1368866934 /nfs/dbraw/zinc/86/69/34/1368866934.db2.gz XAETYWUTPFCSSC-UHFFFAOYSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186597089 1387979340 /nfs/dbraw/zinc/97/93/40/1387979340.db2.gz FJELIUHOLSFIHD-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001113439591 1369430096 /nfs/dbraw/zinc/43/00/96/1369430096.db2.gz JTWGCZQIHXUMDC-UHFFFAOYSA-N 2 1 337.552 3.389 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001113439591 1369430098 /nfs/dbraw/zinc/43/00/98/1369430098.db2.gz JTWGCZQIHXUMDC-UHFFFAOYSA-N 2 1 337.552 3.389 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313491 1370078518 /nfs/dbraw/zinc/07/85/18/1370078518.db2.gz RQOYXTFJKZBPIN-HXUWFJFHSA-N 2 1 343.515 3.226 20 30 EGEDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CC[C@H]1F ZINC001206173911 1370979721 /nfs/dbraw/zinc/97/97/21/1370979721.db2.gz KPMHPHOTZFEKMT-RTBURBONSA-N 2 1 328.456 3.409 20 30 EGEDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CC[C@H]1F ZINC001206173911 1370979724 /nfs/dbraw/zinc/97/97/24/1370979724.db2.gz KPMHPHOTZFEKMT-RTBURBONSA-N 2 1 328.456 3.409 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481490 1371068620 /nfs/dbraw/zinc/06/86/20/1371068620.db2.gz ICMRHRKUGXACKY-QUCCMNQESA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952370 1371242452 /nfs/dbraw/zinc/24/24/52/1371242452.db2.gz LWZHGSHQJODEFV-PKOBYXMFSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207750308 1371493261 /nfs/dbraw/zinc/49/32/61/1371493261.db2.gz PJAKAWNJVZHPDI-IAGOWNOFSA-N 2 1 325.541 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207750308 1371493263 /nfs/dbraw/zinc/49/32/63/1371493263.db2.gz PJAKAWNJVZHPDI-IAGOWNOFSA-N 2 1 325.541 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207750308 1371493267 /nfs/dbraw/zinc/49/32/67/1371493267.db2.gz PJAKAWNJVZHPDI-IAGOWNOFSA-N 2 1 325.541 3.124 20 30 EGEDMP C=CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001120429785 1371572642 /nfs/dbraw/zinc/57/26/42/1371572642.db2.gz BDTOIRWSLXBSEP-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001120429785 1371572646 /nfs/dbraw/zinc/57/26/46/1371572646.db2.gz BDTOIRWSLXBSEP-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001120429785 1371572653 /nfs/dbraw/zinc/57/26/53/1371572653.db2.gz BDTOIRWSLXBSEP-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1(C)CC[NH+](C)CC1)[C@H]2CC ZINC001208109652 1371597888 /nfs/dbraw/zinc/59/78/88/1371597888.db2.gz NCMVPPKTQJGWEL-RXVVDRJESA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001208279237 1371695170 /nfs/dbraw/zinc/69/51/70/1371695170.db2.gz LETNFKRTEJJJMU-RBUKOAKNSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208646428 1371851062 /nfs/dbraw/zinc/85/10/62/1371851062.db2.gz KUIVSAPVLURXMC-QZTJIDSGSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208646428 1371851065 /nfs/dbraw/zinc/85/10/65/1371851065.db2.gz KUIVSAPVLURXMC-QZTJIDSGSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208646428 1371851068 /nfs/dbraw/zinc/85/10/68/1371851068.db2.gz KUIVSAPVLURXMC-QZTJIDSGSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001209158491 1372018724 /nfs/dbraw/zinc/01/87/24/1372018724.db2.gz PQEMABHHMILMDC-FQEVSTJZSA-N 2 1 343.515 3.351 20 30 EGEDMP C#CCCC[N@@H+]1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001209267463 1372054486 /nfs/dbraw/zinc/05/44/86/1372054486.db2.gz QZMZWKZSOOHUGK-GOSISDBHSA-N 2 1 333.426 3.028 20 30 EGEDMP C#CCCC[N@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209267463 1372054489 /nfs/dbraw/zinc/05/44/89/1372054489.db2.gz QZMZWKZSOOHUGK-GOSISDBHSA-N 2 1 333.426 3.028 20 30 EGEDMP C#CCCC[N@@H+]1CCC(F)(F)[C@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209267463 1372054492 /nfs/dbraw/zinc/05/44/92/1372054492.db2.gz QZMZWKZSOOHUGK-GOSISDBHSA-N 2 1 333.426 3.028 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001209425044 1372103311 /nfs/dbraw/zinc/10/33/11/1372103311.db2.gz YTGNMJYXXMMVNI-UHFFFAOYSA-N 2 1 346.519 3.037 20 30 EGEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001121919539 1372122759 /nfs/dbraw/zinc/12/27/59/1372122759.db2.gz UDBREZIQXJSCQR-UHFFFAOYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930771 1372234269 /nfs/dbraw/zinc/23/42/69/1372234269.db2.gz GGUSSYGBQVEYQD-ZWKOTPCHSA-N 2 1 346.519 3.332 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584902 1372384761 /nfs/dbraw/zinc/38/47/61/1372384761.db2.gz MKRHNPPYOUVRHZ-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633572 1372396382 /nfs/dbraw/zinc/39/63/82/1372396382.db2.gz FWRJIOWTQMPIIH-QZTJIDSGSA-N 2 1 349.906 3.013 20 30 EGEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357505 1373118619 /nfs/dbraw/zinc/11/86/19/1373118619.db2.gz ZSXTXVXFKQCAHP-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323819 1373300265 /nfs/dbraw/zinc/30/02/65/1373300265.db2.gz KMPBZGCKDINKKX-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP FC1(F)C[NH2+]C[C@@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217848161 1373507206 /nfs/dbraw/zinc/50/72/06/1373507206.db2.gz YTKAUVKUQJLHSV-KRWDZBQOSA-N 2 1 336.427 3.347 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132068698 1375130909 /nfs/dbraw/zinc/13/09/09/1375130909.db2.gz ISFNJHIQNHZMLP-WBVHZDCISA-N 2 1 349.544 3.359 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132068698 1375130915 /nfs/dbraw/zinc/13/09/15/1375130915.db2.gz ISFNJHIQNHZMLP-WBVHZDCISA-N 2 1 349.544 3.359 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132090234 1375140177 /nfs/dbraw/zinc/14/01/77/1375140177.db2.gz FIWAXXSXDDBVTI-AEFFLSMTSA-N 2 1 334.508 3.282 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132090234 1375140180 /nfs/dbraw/zinc/14/01/80/1375140180.db2.gz FIWAXXSXDDBVTI-AEFFLSMTSA-N 2 1 334.508 3.282 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132090234 1375140181 /nfs/dbraw/zinc/14/01/81/1375140181.db2.gz FIWAXXSXDDBVTI-AEFFLSMTSA-N 2 1 334.508 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202196 1375205681 /nfs/dbraw/zinc/20/56/81/1375205681.db2.gz DQVPXHPVNPMPID-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132203288 1375206704 /nfs/dbraw/zinc/20/67/04/1375206704.db2.gz NUCWWRMJYQZVGG-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132203290 1375207385 /nfs/dbraw/zinc/20/73/85/1375207385.db2.gz NUCWWRMJYQZVGG-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266551 1375255414 /nfs/dbraw/zinc/25/54/14/1375255414.db2.gz YDPZLUNKPYZMSW-ZWKOTPCHSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132314737 1375291876 /nfs/dbraw/zinc/29/18/76/1375291876.db2.gz NFQHXISTYIHWJW-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132314737 1375291878 /nfs/dbraw/zinc/29/18/78/1375291878.db2.gz NFQHXISTYIHWJW-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380137 1375341215 /nfs/dbraw/zinc/34/12/15/1375341215.db2.gz FPJAZNCENKACIF-WOJBJXKFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132391736 1375346618 /nfs/dbraw/zinc/34/66/18/1375346618.db2.gz CPROSAWWZASKHX-IEBWSBKVSA-N 2 1 335.536 3.042 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132425576 1375373305 /nfs/dbraw/zinc/37/33/05/1375373305.db2.gz JJXBIYMYGHCKJW-MSOLQXFVSA-N 2 1 335.536 3.022 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001227224399 1375409016 /nfs/dbraw/zinc/40/90/16/1375409016.db2.gz FQACHESHVGAFQJ-GUDVDZBRSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464734 1375433394 /nfs/dbraw/zinc/43/33/94/1375433394.db2.gz PIRAGXLKHCCCTQ-IAGOWNOFSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227791315 1375474587 /nfs/dbraw/zinc/47/45/87/1375474587.db2.gz BOQALPQGBABJBX-IEBWSBKVSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227797844 1375476159 /nfs/dbraw/zinc/47/61/59/1375476159.db2.gz NLVJSOIKKVUGQD-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133230965 1375856219 /nfs/dbraw/zinc/85/62/19/1375856219.db2.gz ZTVQAPXCVMJSLJ-MOPGFXCFSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133276007 1375890089 /nfs/dbraw/zinc/89/00/89/1375890089.db2.gz YVAZZZXWAFASSJ-MOPGFXCFSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147361 1375952102 /nfs/dbraw/zinc/95/21/02/1375952102.db2.gz DFTWNKPOBDDTKB-QZTJIDSGSA-N 2 1 334.508 3.179 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001230359997 1376008256 /nfs/dbraw/zinc/00/82/56/1376008256.db2.gz OMLHUNJNXUKQBV-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232012668 1376382119 /nfs/dbraw/zinc/38/21/19/1376382119.db2.gz MZAXBEQCVQCDKX-FQEVSTJZSA-N 2 1 338.455 3.096 20 30 EGEDMP C#Cc1cccc(C[N@@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)c1 ZINC001236447386 1376952766 /nfs/dbraw/zinc/95/27/66/1376952766.db2.gz QXCGIXBKFVHSEX-UHFFFAOYSA-N 2 1 334.463 3.431 20 30 EGEDMP C#Cc1cccc(C[N@H+](Cc2ccc(OC)cc2)C2CC[NH2+]CC2)c1 ZINC001236447386 1376952773 /nfs/dbraw/zinc/95/27/73/1376952773.db2.gz QXCGIXBKFVHSEX-UHFFFAOYSA-N 2 1 334.463 3.431 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](C4CCCC4)C3)CC2)c(O)c1 ZINC001276494116 1378175638 /nfs/dbraw/zinc/17/56/38/1378175638.db2.gz PHZWCEOFRHXFQM-UHFFFAOYSA-N 2 1 339.483 3.494 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](C4CCCC4)C3)CC2)c(O)c1 ZINC001276494116 1378175640 /nfs/dbraw/zinc/17/56/40/1378175640.db2.gz PHZWCEOFRHXFQM-UHFFFAOYSA-N 2 1 339.483 3.494 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC001148357084 1379156102 /nfs/dbraw/zinc/15/61/02/1379156102.db2.gz BTZPCFYVIXEVAC-GOSISDBHSA-N 2 1 346.519 3.339 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116554 1380211860 /nfs/dbraw/zinc/21/18/60/1380211860.db2.gz QCEGCCODJUZYHV-OAHLLOKOSA-N 2 1 328.460 3.049 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464805 1380282974 /nfs/dbraw/zinc/28/29/74/1380282974.db2.gz ZCPQXTGYHJPKEE-GOSISDBHSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464805 1380282976 /nfs/dbraw/zinc/28/29/76/1380282976.db2.gz ZCPQXTGYHJPKEE-GOSISDBHSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464805 1380282978 /nfs/dbraw/zinc/28/29/78/1380282978.db2.gz ZCPQXTGYHJPKEE-GOSISDBHSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001158059434 1381115867 /nfs/dbraw/zinc/11/58/67/1381115867.db2.gz ATVJCRNNLZTTGZ-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158059434 1381115870 /nfs/dbraw/zinc/11/58/70/1381115870.db2.gz ATVJCRNNLZTTGZ-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158059434 1381115875 /nfs/dbraw/zinc/11/58/75/1381115875.db2.gz ATVJCRNNLZTTGZ-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001158165400 1381145856 /nfs/dbraw/zinc/14/58/56/1381145856.db2.gz WHENJXJNMLHWKH-GOSISDBHSA-N 2 1 340.471 3.145 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158597688 1381313518 /nfs/dbraw/zinc/31/35/18/1381313518.db2.gz GAISFSRFOLILID-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158597688 1381313523 /nfs/dbraw/zinc/31/35/23/1381313523.db2.gz GAISFSRFOLILID-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160121298 1382004001 /nfs/dbraw/zinc/00/40/01/1382004001.db2.gz WARFYXDVHHRVQU-AZUAARDMSA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160121298 1382004005 /nfs/dbraw/zinc/00/40/05/1382004005.db2.gz WARFYXDVHHRVQU-AZUAARDMSA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160121298 1382004009 /nfs/dbraw/zinc/00/40/09/1382004009.db2.gz WARFYXDVHHRVQU-AZUAARDMSA-N 2 1 347.547 3.352 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360622 1382082793 /nfs/dbraw/zinc/08/27/93/1382082793.db2.gz SUGSIQSMESWIHO-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360622 1382082796 /nfs/dbraw/zinc/08/27/96/1382082796.db2.gz SUGSIQSMESWIHO-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360622 1382082800 /nfs/dbraw/zinc/08/28/00/1382082800.db2.gz SUGSIQSMESWIHO-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930687 1382558286 /nfs/dbraw/zinc/55/82/86/1382558286.db2.gz HIOXHJJILONDGT-IBGZPJMESA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165333047 1383275440 /nfs/dbraw/zinc/27/54/40/1383275440.db2.gz LGYIEOMCDLFILR-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166390367 1383417991 /nfs/dbraw/zinc/41/79/91/1383417991.db2.gz KHCQAXVFARCOBF-UHFFFAOYSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694739 1383713530 /nfs/dbraw/zinc/71/35/30/1383713530.db2.gz RRFRIMKNTIBRFY-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=CC[NH+]1CCN(C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168054813 1383805832 /nfs/dbraw/zinc/80/58/32/1383805832.db2.gz UGXMPTZDCQRCPX-RTBURBONSA-N 2 1 327.516 3.232 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171254856 1384479785 /nfs/dbraw/zinc/47/97/85/1384479785.db2.gz VDJIJXGARAWWPM-SJORKVTESA-N 2 1 343.943 3.266 20 30 EGEDMP CC1(C)C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172283461 1384759287 /nfs/dbraw/zinc/75/92/87/1384759287.db2.gz YDIBISZXKIPSSR-GUDVDZBRSA-N 2 1 327.472 3.198 20 30 EGEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001172493705 1384804175 /nfs/dbraw/zinc/80/41/75/1384804175.db2.gz CFAIUNSKWXXTJX-KRWDZBQOSA-N 2 1 331.460 3.029 20 30 EGEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001172493705 1384804176 /nfs/dbraw/zinc/80/41/76/1384804176.db2.gz CFAIUNSKWXXTJX-KRWDZBQOSA-N 2 1 331.460 3.029 20 30 EGEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173117022 1384918850 /nfs/dbraw/zinc/91/88/50/1384918850.db2.gz IUXHLZICWHRZAT-AOCRQIFASA-N 2 1 337.508 3.016 20 30 EGEDMP C=CCOC1CCC([NH+]2CCC([N@@H+](CC)[C@H]3CCOC3)CC2)CC1 ZINC001173328008 1384960173 /nfs/dbraw/zinc/96/01/73/1384960173.db2.gz XJAQKGAAXBXPMN-SYYJFZTOSA-N 2 1 336.520 3.075 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175571765 1385335831 /nfs/dbraw/zinc/33/58/31/1385335831.db2.gz FRFSNIJMVCAQIQ-OALUTQOASA-N 2 1 337.552 3.480 20 30 EGEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120202 1385489566 /nfs/dbraw/zinc/48/95/66/1385489566.db2.gz KKIMGYASMNFDTO-PKOBYXMFSA-N 2 1 331.504 3.130 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177485113 1385975013 /nfs/dbraw/zinc/97/50/13/1385975013.db2.gz RRCVJNBYJQPUNA-UHFFFAOYSA-N 2 1 346.519 3.156 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483904 1386232001 /nfs/dbraw/zinc/23/20/01/1386232001.db2.gz JZQGLVAZGWKMBB-MOPGFXCFSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178920721 1386349050 /nfs/dbraw/zinc/34/90/50/1386349050.db2.gz GXDSVSZVEVWWCU-LJQANCHMSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179029765 1386382644 /nfs/dbraw/zinc/38/26/44/1386382644.db2.gz RZKGDTNOBFPXRL-UHFFFAOYSA-N 2 1 334.508 3.204 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001180035732 1386676177 /nfs/dbraw/zinc/67/61/77/1386676177.db2.gz QCCDSBNVGMPOAY-IBGZPJMESA-N 2 1 337.552 3.483 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720522 1387044879 /nfs/dbraw/zinc/04/48/79/1387044879.db2.gz IKIVSXMWERFAFO-SFHLNBCPSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182125168 1387108841 /nfs/dbraw/zinc/10/88/41/1387108841.db2.gz QOUOOXCCFRIJTH-YLJYHZDGSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001713699129 1418455731 /nfs/dbraw/zinc/45/57/31/1418455731.db2.gz UKXYBXQEIKNFRP-WOJBJXKFSA-N 2 1 343.515 3.227 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752841757 1440230993 /nfs/dbraw/zinc/23/09/93/1440230993.db2.gz UBZHBXNJAAVULK-QUCCMNQESA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752999690 1440263854 /nfs/dbraw/zinc/26/38/54/1440263854.db2.gz GDKJDBZTAMNEJU-FQEVSTJZSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753128820 1440315879 /nfs/dbraw/zinc/31/58/79/1440315879.db2.gz KMMAWXJFQVSWJF-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753128820 1440315880 /nfs/dbraw/zinc/31/58/80/1440315880.db2.gz KMMAWXJFQVSWJF-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753128820 1440315881 /nfs/dbraw/zinc/31/58/81/1440315881.db2.gz KMMAWXJFQVSWJF-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001753282094 1440347785 /nfs/dbraw/zinc/34/77/85/1440347785.db2.gz ACFLBDZAQXIAOI-HKUYNNGSSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001753317671 1440360828 /nfs/dbraw/zinc/36/08/28/1440360828.db2.gz SVDHCAUYDRMHJC-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001753317671 1440360829 /nfs/dbraw/zinc/36/08/29/1440360829.db2.gz SVDHCAUYDRMHJC-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001753317671 1440360830 /nfs/dbraw/zinc/36/08/30/1440360830.db2.gz SVDHCAUYDRMHJC-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[N@H+](C)CC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001753366576 1440385494 /nfs/dbraw/zinc/38/54/94/1440385494.db2.gz FABWTQMVKWDSGF-UHFFFAOYSA-N 2 1 343.515 3.108 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001753447781 1440404764 /nfs/dbraw/zinc/40/47/64/1440404764.db2.gz GJTOBFUOVSISRE-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753447781 1440404765 /nfs/dbraw/zinc/40/47/65/1440404765.db2.gz GJTOBFUOVSISRE-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753447781 1440404766 /nfs/dbraw/zinc/40/47/66/1440404766.db2.gz GJTOBFUOVSISRE-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753447781 1440404767 /nfs/dbraw/zinc/40/47/67/1440404767.db2.gz GJTOBFUOVSISRE-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753557390 1440436230 /nfs/dbraw/zinc/43/62/30/1440436230.db2.gz KLPNIPPGKKDJEP-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001754947361 1440713766 /nfs/dbraw/zinc/71/37/66/1440713766.db2.gz KJEOJSFUSTWGAR-VQIMIIECSA-N 2 1 329.488 3.014 20 30 EGEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001754948954 1440714447 /nfs/dbraw/zinc/71/44/47/1440714447.db2.gz SNAPYVASGIWKEB-XLIONFOSSA-N 2 1 343.515 3.402 20 30 EGEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001755183466 1440771762 /nfs/dbraw/zinc/77/17/62/1440771762.db2.gz BVWRGYMUDSPSEN-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001755716624 1440905258 /nfs/dbraw/zinc/90/52/58/1440905258.db2.gz NLXVUYVNAWVEAG-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001755764686 1440915829 /nfs/dbraw/zinc/91/58/29/1440915829.db2.gz XZXRZWNCDSSHAO-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000268669633 252121053 /nfs/dbraw/zinc/12/10/53/252121053.db2.gz KARWKGCEXTUZMH-TZIWHRDSSA-N 2 1 341.499 3.036 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000268669633 252121057 /nfs/dbraw/zinc/12/10/57/252121057.db2.gz KARWKGCEXTUZMH-TZIWHRDSSA-N 2 1 341.499 3.036 20 30 EGEDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000122052192 152386406 /nfs/dbraw/zinc/38/64/06/152386406.db2.gz FNHYEGTXINIEBN-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000122052192 152386409 /nfs/dbraw/zinc/38/64/09/152386409.db2.gz FNHYEGTXINIEBN-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1Cl ZINC000344137238 164112620 /nfs/dbraw/zinc/11/26/20/164112620.db2.gz VORDUPUANWOEEB-UHFFFAOYSA-N 2 1 348.922 3.061 20 30 EGEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C#N)cc1Cl ZINC000344137238 164112622 /nfs/dbraw/zinc/11/26/22/164112622.db2.gz VORDUPUANWOEEB-UHFFFAOYSA-N 2 1 348.922 3.061 20 30 EGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000052442082 307331899 /nfs/dbraw/zinc/33/18/99/307331899.db2.gz FGPOGRIUULONGH-UHFFFAOYSA-N 2 1 329.488 3.381 20 30 EGEDMP C=CCc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1O ZINC000092043266 454507904 /nfs/dbraw/zinc/50/79/04/454507904.db2.gz XEOAUNKEXNCPDH-ROUUACIJSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1O ZINC000092043266 454507906 /nfs/dbraw/zinc/50/79/06/454507906.db2.gz XEOAUNKEXNCPDH-ROUUACIJSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(OC)c1O ZINC000092043266 454507910 /nfs/dbraw/zinc/50/79/10/454507910.db2.gz XEOAUNKEXNCPDH-ROUUACIJSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(OC)c1O ZINC000092043266 454507915 /nfs/dbraw/zinc/50/79/15/454507915.db2.gz XEOAUNKEXNCPDH-ROUUACIJSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000105443780 454639075 /nfs/dbraw/zinc/63/90/75/454639075.db2.gz KBOGRONPGXYYCR-HNNXBMFYSA-N 2 1 329.444 3.191 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000106246242 454687483 /nfs/dbraw/zinc/68/74/83/454687483.db2.gz RUASWYHELACKKS-UHFFFAOYSA-N 2 1 340.414 3.427 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccccc2OC)CC1 ZINC000153045732 454755583 /nfs/dbraw/zinc/75/55/83/454755583.db2.gz ICZNCLZMCMPFST-INIZCTEOSA-N 2 1 345.487 3.042 20 30 EGEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000178577528 454961831 /nfs/dbraw/zinc/96/18/31/454961831.db2.gz IVXYINRIJCBAPL-SFHVURJKSA-N 2 1 338.455 3.086 20 30 EGEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000156528268 455128593 /nfs/dbraw/zinc/12/85/93/455128593.db2.gz GXMPPJFRTXFGLG-LJQANCHMSA-N 2 1 327.472 3.135 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+](C)C2CCCCC2)cc1OC ZINC000264124018 455192602 /nfs/dbraw/zinc/19/26/02/455192602.db2.gz VXMBEGJMBXTMGV-UHFFFAOYSA-N 2 1 348.491 3.085 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1 ZINC000264290985 455195703 /nfs/dbraw/zinc/19/57/03/455195703.db2.gz PTFCOHRSDMTFEH-KRWDZBQOSA-N 2 1 342.443 3.160 20 30 EGEDMP N#CCSCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285549800 455867617 /nfs/dbraw/zinc/86/76/17/455867617.db2.gz MDJLNNYOEADPCN-IBGZPJMESA-N 2 1 329.513 3.231 20 30 EGEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270564890 455983888 /nfs/dbraw/zinc/98/38/88/455983888.db2.gz LCSUJZJYFAHQFE-GHJWDPDVSA-N 2 1 340.874 3.175 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000280588803 456007505 /nfs/dbraw/zinc/00/75/05/456007505.db2.gz NOQXBMZVKMYFRJ-KRWDZBQOSA-N 2 1 330.476 3.219 20 30 EGEDMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000281574024 456268559 /nfs/dbraw/zinc/26/85/59/456268559.db2.gz CTRYRLHVGVWJLW-QAPCUYQASA-N 2 1 327.472 3.309 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290399737 456316398 /nfs/dbraw/zinc/31/63/98/456316398.db2.gz JHDCTWAZMQJOJW-ROUUACIJSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000290399737 456316408 /nfs/dbraw/zinc/31/64/08/456316408.db2.gz JHDCTWAZMQJOJW-ROUUACIJSA-N 2 1 330.472 3.176 20 30 EGEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCC3(C#N)CCCCC3)CC2)CC1 ZINC000420979345 458406368 /nfs/dbraw/zinc/40/63/68/458406368.db2.gz KNOJALWZMZMMDT-UHFFFAOYSA-N 2 1 346.563 3.343 20 30 EGEDMP N#CCSCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338287 458496782 /nfs/dbraw/zinc/49/67/82/458496782.db2.gz VZRBXMZWBSCABW-OALUTQOASA-N 2 1 329.513 3.087 20 30 EGEDMP N#CCSCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338287 458496786 /nfs/dbraw/zinc/49/67/86/458496786.db2.gz VZRBXMZWBSCABW-OALUTQOASA-N 2 1 329.513 3.087 20 30 EGEDMP N#CCSCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338287 458496788 /nfs/dbraw/zinc/49/67/88/458496788.db2.gz VZRBXMZWBSCABW-OALUTQOASA-N 2 1 329.513 3.087 20 30 EGEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000424298149 458608223 /nfs/dbraw/zinc/60/82/23/458608223.db2.gz SBLGHMRKVZCZHX-AFDCHOCNSA-N 2 1 326.484 3.078 20 30 EGEDMP C=CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000467296422 458965570 /nfs/dbraw/zinc/96/55/70/458965570.db2.gz DFAJMQZDDNBOPB-SFHVURJKSA-N 2 1 349.906 3.101 20 30 EGEDMP C=CCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000467296422 458965578 /nfs/dbraw/zinc/96/55/78/458965578.db2.gz DFAJMQZDDNBOPB-SFHVURJKSA-N 2 1 349.906 3.101 20 30 EGEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cs1 ZINC000442788647 459036022 /nfs/dbraw/zinc/03/60/22/459036022.db2.gz YECUTGPKFRJXJU-JKSUJKDBSA-N 2 1 332.517 3.199 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000602509598 459974286 /nfs/dbraw/zinc/97/42/86/459974286.db2.gz DYLIAQZUFFQZGI-GOSISDBHSA-N 2 1 341.499 3.123 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000602509598 459974295 /nfs/dbraw/zinc/97/42/95/459974295.db2.gz DYLIAQZUFFQZGI-GOSISDBHSA-N 2 1 341.499 3.123 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062550 460358265 /nfs/dbraw/zinc/35/82/65/460358265.db2.gz WQGLKCHWGBXFBX-SFHVURJKSA-N 2 1 345.531 3.383 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543938 461759520 /nfs/dbraw/zinc/75/95/20/461759520.db2.gz UQWBHVLKYKXYDC-OALUTQOASA-N 2 1 344.499 3.472 20 30 EGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000187664668 534084276 /nfs/dbraw/zinc/08/42/76/534084276.db2.gz DNVAGEARSJKLMP-QRVBRYPASA-N 2 1 340.515 3.110 20 30 EGEDMP CC[NH+]=C(NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCc2ccccc21 ZINC000103903128 1293017922 /nfs/dbraw/zinc/01/79/22/1293017922.db2.gz NVTFLYRRRKCEIU-QGZVFWFLSA-N 2 1 328.504 3.135 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000164532905 1294350456 /nfs/dbraw/zinc/35/04/56/1294350456.db2.gz POKRFZXOQHGBBZ-VQIMIIECSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000164532905 1294350463 /nfs/dbraw/zinc/35/04/63/1294350463.db2.gz POKRFZXOQHGBBZ-VQIMIIECSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000164532905 1294350470 /nfs/dbraw/zinc/35/04/70/1294350470.db2.gz POKRFZXOQHGBBZ-VQIMIIECSA-N 2 1 330.472 3.045 20 30 EGEDMP COc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000303784473 1296856014 /nfs/dbraw/zinc/85/60/14/1296856014.db2.gz PDDBKEWMSOYGHY-INIZCTEOSA-N 2 1 344.484 3.320 20 30 EGEDMP CC(C)CNC(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303892261 1296872196 /nfs/dbraw/zinc/87/21/96/1296872196.db2.gz NNSIHHOODGBRHA-CALCHBBNSA-N 2 1 330.520 3.225 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000303901453 1296875803 /nfs/dbraw/zinc/87/58/03/1296875803.db2.gz SRSHMIKPSKRPKR-IBGZPJMESA-N 2 1 342.531 3.315 20 30 EGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000305201972 1296997373 /nfs/dbraw/zinc/99/73/73/1296997373.db2.gz NBEGYUXACUYUOF-LJQANCHMSA-N 2 1 330.520 3.062 20 30 EGEDMP C=CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000725795389 1298363470 /nfs/dbraw/zinc/36/34/70/1298363470.db2.gz OOJZBKMYHVJFSZ-UHFFFAOYSA-N 2 1 347.528 3.070 20 30 EGEDMP C=CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)C ZINC000725795389 1298363482 /nfs/dbraw/zinc/36/34/82/1298363482.db2.gz OOJZBKMYHVJFSZ-UHFFFAOYSA-N 2 1 347.528 3.070 20 30 EGEDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000774186065 1303784861 /nfs/dbraw/zinc/78/48/61/1303784861.db2.gz KHVPSKUNNLVVJV-VQTJNVASSA-N 2 1 327.472 3.242 20 30 EGEDMP C=CC[NH+](CC=C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903064576 1317645160 /nfs/dbraw/zinc/64/51/60/1317645160.db2.gz CXFPFOMYXXFSBA-KRIYCRJKSA-N 2 1 331.548 3.432 20 30 EGEDMP C=CCN(CC=C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903064576 1317645166 /nfs/dbraw/zinc/64/51/66/1317645166.db2.gz CXFPFOMYXXFSBA-KRIYCRJKSA-N 2 1 331.548 3.432 20 30 EGEDMP C=CCN(CC=C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903064576 1317645169 /nfs/dbraw/zinc/64/51/69/1317645169.db2.gz CXFPFOMYXXFSBA-KRIYCRJKSA-N 2 1 331.548 3.432 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632951 1319753183 /nfs/dbraw/zinc/75/31/83/1319753183.db2.gz SDAAECJBNNAXFJ-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632951 1319753185 /nfs/dbraw/zinc/75/31/85/1319753185.db2.gz SDAAECJBNNAXFJ-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632951 1319753190 /nfs/dbraw/zinc/75/31/90/1319753190.db2.gz SDAAECJBNNAXFJ-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000859994716 1329124157 /nfs/dbraw/zinc/12/41/57/1329124157.db2.gz AUIVJJACBGLGIZ-NRFANRHFSA-N 2 1 337.467 3.175 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025275544 1324095908 /nfs/dbraw/zinc/09/59/08/1324095908.db2.gz XYNDWQPLQLMRSG-ROUUACIJSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025275544 1324095915 /nfs/dbraw/zinc/09/59/15/1324095915.db2.gz XYNDWQPLQLMRSG-ROUUACIJSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025302730 1324136276 /nfs/dbraw/zinc/13/62/76/1324136276.db2.gz WZOGIJVATWTEHC-PMACEKPBSA-N 2 1 347.547 3.284 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453275 1324295411 /nfs/dbraw/zinc/29/54/11/1324295411.db2.gz PMGYPMXDAZPNCG-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853239398 1325070742 /nfs/dbraw/zinc/07/07/42/1325070742.db2.gz GPROBTPIMAITKM-PKOBYXMFSA-N 2 1 326.484 3.471 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347324 1325137834 /nfs/dbraw/zinc/13/78/34/1325137834.db2.gz QNNPDJLZJNQMHV-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485379 1328318261 /nfs/dbraw/zinc/31/82/61/1328318261.db2.gz BEZSVRHZXUHLAF-DOTOQJQBSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485379 1328318268 /nfs/dbraw/zinc/31/82/68/1328318268.db2.gz BEZSVRHZXUHLAF-DOTOQJQBSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942100044 1331830106 /nfs/dbraw/zinc/83/01/06/1331830106.db2.gz MXPFIXGHEIYGRY-RDJZCZTQSA-N 2 1 349.544 3.216 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948079659 1333368882 /nfs/dbraw/zinc/36/88/82/1333368882.db2.gz YTUINLVSFJZGGW-IRXDYDNUSA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674420 1333623666 /nfs/dbraw/zinc/62/36/66/1333623666.db2.gz WZSMVDNFLRZEBV-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888436 1336080415 /nfs/dbraw/zinc/08/04/15/1336080415.db2.gz VCNBUXQJTWOTNU-ROUUACIJSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888436 1336080419 /nfs/dbraw/zinc/08/04/19/1336080419.db2.gz VCNBUXQJTWOTNU-ROUUACIJSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118512 1336150374 /nfs/dbraw/zinc/15/03/74/1336150374.db2.gz QVHSBYDDYQCBSV-KRWDZBQOSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118512 1336150378 /nfs/dbraw/zinc/15/03/78/1336150378.db2.gz QVHSBYDDYQCBSV-KRWDZBQOSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081248 1341718025 /nfs/dbraw/zinc/71/80/25/1341718025.db2.gz GROYTWAGWHZCLG-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081248 1341718026 /nfs/dbraw/zinc/71/80/26/1341718026.db2.gz GROYTWAGWHZCLG-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081248 1341718027 /nfs/dbraw/zinc/71/80/27/1341718027.db2.gz GROYTWAGWHZCLG-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699269 1341966692 /nfs/dbraw/zinc/96/66/92/1341966692.db2.gz LTYHCKHXECFBOR-QGZVFWFLSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050084 1342190960 /nfs/dbraw/zinc/19/09/60/1342190960.db2.gz FKWSMHYBKAMEED-QGZVFWFLSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474612 1345088942 /nfs/dbraw/zinc/08/89/42/1345088942.db2.gz QZIXJWBITKILOP-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241712 1345391852 /nfs/dbraw/zinc/39/18/52/1345391852.db2.gz RNHHXTCCHAQNGY-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241712 1345391857 /nfs/dbraw/zinc/39/18/57/1345391857.db2.gz RNHHXTCCHAQNGY-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241712 1345391860 /nfs/dbraw/zinc/39/18/60/1345391860.db2.gz RNHHXTCCHAQNGY-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357954 1345710065 /nfs/dbraw/zinc/71/00/65/1345710065.db2.gz JMJUVFPBQCJWOS-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357954 1345710068 /nfs/dbraw/zinc/71/00/68/1345710068.db2.gz JMJUVFPBQCJWOS-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357954 1345710072 /nfs/dbraw/zinc/71/00/72/1345710072.db2.gz JMJUVFPBQCJWOS-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041781843 1345847782 /nfs/dbraw/zinc/84/77/82/1345847782.db2.gz LEOKGKFDGTYSPX-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041781843 1345847784 /nfs/dbraw/zinc/84/77/84/1345847784.db2.gz LEOKGKFDGTYSPX-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041781843 1345847786 /nfs/dbraw/zinc/84/77/86/1345847786.db2.gz LEOKGKFDGTYSPX-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063377 1345933347 /nfs/dbraw/zinc/93/33/47/1345933347.db2.gz VTQDVCDNKUVRMZ-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319411 1346933608 /nfs/dbraw/zinc/93/36/08/1346933608.db2.gz RJMJSNZCVYUKQK-WIYYLYMNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319411 1346933609 /nfs/dbraw/zinc/93/36/09/1346933609.db2.gz RJMJSNZCVYUKQK-WIYYLYMNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319411 1346933611 /nfs/dbraw/zinc/93/36/11/1346933611.db2.gz RJMJSNZCVYUKQK-WIYYLYMNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049563515 1347911550 /nfs/dbraw/zinc/91/15/50/1347911550.db2.gz CLHJXDDBCPHWOR-ZCNNSNEGSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563515 1347911553 /nfs/dbraw/zinc/91/15/53/1347911553.db2.gz CLHJXDDBCPHWOR-ZCNNSNEGSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563515 1347911554 /nfs/dbraw/zinc/91/15/54/1347911554.db2.gz CLHJXDDBCPHWOR-ZCNNSNEGSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819087 1348036004 /nfs/dbraw/zinc/03/60/04/1348036004.db2.gz BPTRYGODUWMFSO-UXHICEINSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052858578 1348705462 /nfs/dbraw/zinc/70/54/62/1348705462.db2.gz FKLIUIQBFOZNSG-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858578 1348705465 /nfs/dbraw/zinc/70/54/65/1348705465.db2.gz FKLIUIQBFOZNSG-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858578 1348705468 /nfs/dbraw/zinc/70/54/68/1348705468.db2.gz FKLIUIQBFOZNSG-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099488 1355129116 /nfs/dbraw/zinc/12/91/16/1355129116.db2.gz RKMPXUHXRFYODN-IEBWSBKVSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001085225366 1358437818 /nfs/dbraw/zinc/43/78/18/1358437818.db2.gz SPOSYTYRRGRFKZ-GVDBMIGSSA-N 2 1 341.927 3.019 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382565 1360383827 /nfs/dbraw/zinc/38/38/27/1360383827.db2.gz UDKIDRLUDYYDGA-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382565 1360383829 /nfs/dbraw/zinc/38/38/29/1360383829.db2.gz UDKIDRLUDYYDGA-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382565 1360383833 /nfs/dbraw/zinc/38/38/33/1360383833.db2.gz UDKIDRLUDYYDGA-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089526604 1360490420 /nfs/dbraw/zinc/49/04/20/1360490420.db2.gz DRHQOYMPVZCXCR-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639535 1360553249 /nfs/dbraw/zinc/55/32/49/1360553249.db2.gz XGHZUIZSVSUUMA-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639535 1360553252 /nfs/dbraw/zinc/55/32/52/1360553252.db2.gz XGHZUIZSVSUUMA-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639535 1360553253 /nfs/dbraw/zinc/55/32/53/1360553253.db2.gz XGHZUIZSVSUUMA-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089650140 1360563754 /nfs/dbraw/zinc/56/37/54/1360563754.db2.gz VQAPFPDPXPHRKW-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089650140 1360563757 /nfs/dbraw/zinc/56/37/57/1360563757.db2.gz VQAPFPDPXPHRKW-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089650140 1360563759 /nfs/dbraw/zinc/56/37/59/1360563759.db2.gz VQAPFPDPXPHRKW-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001089721812 1360623829 /nfs/dbraw/zinc/62/38/29/1360623829.db2.gz LEAXMIMSVIAMHM-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001089721812 1360623832 /nfs/dbraw/zinc/62/38/32/1360623832.db2.gz LEAXMIMSVIAMHM-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001089721812 1360623833 /nfs/dbraw/zinc/62/38/33/1360623833.db2.gz LEAXMIMSVIAMHM-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184681986 1387507663 /nfs/dbraw/zinc/50/76/63/1387507663.db2.gz AMSVPJKYRFLTCP-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069930 1363606530 /nfs/dbraw/zinc/60/65/30/1363606530.db2.gz PASMJYTWSCAFQQ-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099165659 1363666085 /nfs/dbraw/zinc/66/60/85/1363666085.db2.gz OWNHVCWFGIDLFI-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241337 1363710148 /nfs/dbraw/zinc/71/01/48/1363710148.db2.gz YYGJJNAVTJTBRD-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099241337 1363710150 /nfs/dbraw/zinc/71/01/50/1363710150.db2.gz YYGJJNAVTJTBRD-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099241337 1363710152 /nfs/dbraw/zinc/71/01/52/1363710152.db2.gz YYGJJNAVTJTBRD-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257182 1363716799 /nfs/dbraw/zinc/71/67/99/1363716799.db2.gz BTJXZNAGXAFXCX-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099340200 1363760781 /nfs/dbraw/zinc/76/07/81/1363760781.db2.gz QRZUBXMHIJBQIK-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001099350229 1363766931 /nfs/dbraw/zinc/76/69/31/1363766931.db2.gz YEVJEBHUTXAYFL-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099354531 1363769292 /nfs/dbraw/zinc/76/92/92/1363769292.db2.gz UIZFOUCXVRKWAE-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102465905 1365070555 /nfs/dbraw/zinc/07/05/55/1365070555.db2.gz BFTKJSWASTVEDW-ZIFCJYIRSA-N 2 1 346.519 3.011 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102465905 1365070557 /nfs/dbraw/zinc/07/05/57/1365070557.db2.gz BFTKJSWASTVEDW-ZIFCJYIRSA-N 2 1 346.519 3.011 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185448604 1387719419 /nfs/dbraw/zinc/71/94/19/1387719419.db2.gz YPEUVTZNCVGUMP-RBUKOAKNSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102600214 1365131499 /nfs/dbraw/zinc/13/14/99/1365131499.db2.gz SQWJVCVRKWORCO-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600214 1365131501 /nfs/dbraw/zinc/13/15/01/1365131501.db2.gz SQWJVCVRKWORCO-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600214 1365131503 /nfs/dbraw/zinc/13/15/03/1365131503.db2.gz SQWJVCVRKWORCO-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001103271339 1365465307 /nfs/dbraw/zinc/46/53/07/1365465307.db2.gz JYHXEUPZZRUPCS-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001103271339 1365465309 /nfs/dbraw/zinc/46/53/09/1365465309.db2.gz JYHXEUPZZRUPCS-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001103271339 1365465312 /nfs/dbraw/zinc/46/53/12/1365465312.db2.gz JYHXEUPZZRUPCS-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105575230 1366540671 /nfs/dbraw/zinc/54/06/71/1366540671.db2.gz VVPSTHINBPKPBN-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084055 1367168217 /nfs/dbraw/zinc/16/82/17/1367168217.db2.gz JSZQEXGYEZFKCD-RTBURBONSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084055 1367168222 /nfs/dbraw/zinc/16/82/22/1367168222.db2.gz JSZQEXGYEZFKCD-RTBURBONSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084055 1367168229 /nfs/dbraw/zinc/16/82/29/1367168229.db2.gz JSZQEXGYEZFKCD-RTBURBONSA-N 2 1 337.552 3.362 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007489 1367455813 /nfs/dbraw/zinc/45/58/13/1367455813.db2.gz XLZAYJQJDCLFQR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110018034 1367460363 /nfs/dbraw/zinc/46/03/63/1367460363.db2.gz YHEZPDJHXBLOFF-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110018034 1367460366 /nfs/dbraw/zinc/46/03/66/1367460366.db2.gz YHEZPDJHXBLOFF-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110018034 1367460369 /nfs/dbraw/zinc/46/03/69/1367460369.db2.gz YHEZPDJHXBLOFF-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507824 1367517250 /nfs/dbraw/zinc/51/72/50/1367517250.db2.gz ONFZJWNJGZERLT-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192196238 1367712977 /nfs/dbraw/zinc/71/29/77/1367712977.db2.gz HYCKLYFJKASTRE-ZWKOTPCHSA-N 2 1 325.541 3.076 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389730 1368017260 /nfs/dbraw/zinc/01/72/60/1368017260.db2.gz HEQHYWDYCDCKSU-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389730 1368017266 /nfs/dbraw/zinc/01/72/66/1368017266.db2.gz HEQHYWDYCDCKSU-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193389730 1368017269 /nfs/dbraw/zinc/01/72/69/1368017269.db2.gz HEQHYWDYCDCKSU-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425484 1368026428 /nfs/dbraw/zinc/02/64/28/1368026428.db2.gz XLTFIZMZDJWKAO-IBGZPJMESA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425311 1368027640 /nfs/dbraw/zinc/02/76/40/1368027640.db2.gz VHAHBUABURLYGD-IBGZPJMESA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163389 1368559512 /nfs/dbraw/zinc/55/95/12/1368559512.db2.gz NBBFUBSUIQGSME-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163389 1368559514 /nfs/dbraw/zinc/55/95/14/1368559514.db2.gz NBBFUBSUIQGSME-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163389 1368559516 /nfs/dbraw/zinc/55/95/16/1368559516.db2.gz NBBFUBSUIQGSME-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938383 1368568044 /nfs/dbraw/zinc/56/80/44/1368568044.db2.gz YRCUKPLCJBAYRP-RXVVDRJESA-N 2 1 347.547 3.023 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950941 1368571362 /nfs/dbraw/zinc/57/13/62/1368571362.db2.gz KTWMOEHPLXTSSE-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950941 1368571366 /nfs/dbraw/zinc/57/13/66/1368571366.db2.gz KTWMOEHPLXTSSE-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950941 1368571369 /nfs/dbraw/zinc/57/13/69/1368571369.db2.gz KTWMOEHPLXTSSE-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641364 1368654144 /nfs/dbraw/zinc/65/41/44/1368654144.db2.gz CFVVGRPPIHJXDL-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197455029 1368818631 /nfs/dbraw/zinc/81/86/31/1368818631.db2.gz WZSXZBVUPCMYNP-UHFFFAOYSA-N 2 1 348.535 3.476 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197455029 1368818643 /nfs/dbraw/zinc/81/86/43/1368818643.db2.gz WZSXZBVUPCMYNP-UHFFFAOYSA-N 2 1 348.535 3.476 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044377 1369470682 /nfs/dbraw/zinc/47/06/82/1369470682.db2.gz UXIVBYIVSRSYOT-IEBWSBKVSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144888 1369700378 /nfs/dbraw/zinc/70/03/78/1369700378.db2.gz MVTYIUNKSSCJIA-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203180037 1370012512 /nfs/dbraw/zinc/01/25/12/1370012512.db2.gz WXYMYYODNCIBMR-MSOLQXFVSA-N 2 1 346.519 3.179 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114903996 1370139037 /nfs/dbraw/zinc/13/90/37/1370139037.db2.gz MFIXEZTVTATMLM-DZFIZOCASA-N 2 1 346.519 3.023 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC001114903996 1370139042 /nfs/dbraw/zinc/13/90/42/1370139042.db2.gz MFIXEZTVTATMLM-DZFIZOCASA-N 2 1 346.519 3.023 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507584 1370148929 /nfs/dbraw/zinc/14/89/29/1370148929.db2.gz TWWVSZIBPXWSBY-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203649501 1370200265 /nfs/dbraw/zinc/20/02/65/1370200265.db2.gz BKYDFXZSNDEDGX-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115571864 1370574413 /nfs/dbraw/zinc/57/44/13/1370574413.db2.gz ROLQQSLGZCQAEY-GOSISDBHSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688011 1370670844 /nfs/dbraw/zinc/67/08/44/1370670844.db2.gz GHKAUTWEWUMYOD-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205526142 1370781769 /nfs/dbraw/zinc/78/17/69/1370781769.db2.gz GPTJDMCOISGEET-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(Br)c(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206011474 1370938385 /nfs/dbraw/zinc/93/83/85/1370938385.db2.gz CPYZQCCTXWAWPV-GXTWGEPZSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206273904 1371009905 /nfs/dbraw/zinc/00/99/05/1371009905.db2.gz CZPFNYMBINOTHD-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001206889215 1371209117 /nfs/dbraw/zinc/20/91/17/1371209117.db2.gz GQGFKYSYGWQRPH-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232574 1371336552 /nfs/dbraw/zinc/33/65/52/1371336552.db2.gz XEGQSSAUXYBKFJ-BFYDXBDKSA-N 2 1 349.544 3.215 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232574 1371336557 /nfs/dbraw/zinc/33/65/57/1371336557.db2.gz XEGQSSAUXYBKFJ-BFYDXBDKSA-N 2 1 349.544 3.215 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCCCC1 ZINC001119993958 1371446743 /nfs/dbraw/zinc/44/67/43/1371446743.db2.gz WPSXDKUNTBRFKI-IBGZPJMESA-N 2 1 343.515 3.274 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120450578 1371581718 /nfs/dbraw/zinc/58/17/18/1371581718.db2.gz WRSRZXFCOCVDGG-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120467695 1371586266 /nfs/dbraw/zinc/58/62/66/1371586266.db2.gz APALINHMGRFJBO-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1(C)CC[NH+](C)CC1)[C@@H]2CC ZINC001208109651 1371597836 /nfs/dbraw/zinc/59/78/36/1371597836.db2.gz NCMVPPKTQJGWEL-NQIIRXRSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208279412 1371695497 /nfs/dbraw/zinc/69/54/97/1371695497.db2.gz PDPKMGTZHYHCDA-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208361451 1371735415 /nfs/dbraw/zinc/73/54/15/1371735415.db2.gz DUAHCIICNFMRDW-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459726 1371775538 /nfs/dbraw/zinc/77/55/38/1371775538.db2.gz HQTXWUFOUHYFKT-QGZVFWFLSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347756 1371946266 /nfs/dbraw/zinc/94/62/66/1371946266.db2.gz MCOZUKKSNUDCQS-MBEFBZSESA-N 2 1 347.547 3.090 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477596 1372116842 /nfs/dbraw/zinc/11/68/42/1372116842.db2.gz GUGSNGXFXWWDQA-FUHIMQAGSA-N 2 1 343.515 3.153 20 30 EGEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001121919351 1372123215 /nfs/dbraw/zinc/12/32/15/1372123215.db2.gz CKMRTPLIHYQGRZ-HOJAQTOUSA-N 2 1 343.515 3.182 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001122243033 1372210151 /nfs/dbraw/zinc/21/01/51/1372210151.db2.gz XUZFSUSWUAKOCP-UHFFFAOYSA-N 2 1 337.552 3.314 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889404 1373136900 /nfs/dbraw/zinc/13/69/00/1373136900.db2.gz LDBHGPJSISKFQR-CEXWTWQISA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844381 1373349976 /nfs/dbraw/zinc/34/99/76/1373349976.db2.gz AGZRWMWKLKVQJK-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111383 1375153777 /nfs/dbraw/zinc/15/37/77/1375153777.db2.gz QJIQLUYKNIAEFX-MSOLQXFVSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132111383 1375153782 /nfs/dbraw/zinc/15/37/82/1375153782.db2.gz QJIQLUYKNIAEFX-MSOLQXFVSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132111383 1375153786 /nfs/dbraw/zinc/15/37/86/1375153786.db2.gz QJIQLUYKNIAEFX-MSOLQXFVSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001229984773 1375925004 /nfs/dbraw/zinc/92/50/04/1375925004.db2.gz BCYAYLSZEPTBBR-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932484 1388413217 /nfs/dbraw/zinc/41/32/17/1388413217.db2.gz YDAHFWSDMSUGHE-LWYYNNOASA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932484 1388413220 /nfs/dbraw/zinc/41/32/20/1388413220.db2.gz YDAHFWSDMSUGHE-LWYYNNOASA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001188932484 1388413224 /nfs/dbraw/zinc/41/32/24/1388413224.db2.gz YDAHFWSDMSUGHE-LWYYNNOASA-N 2 1 349.563 3.220 20 30 EGEDMP N#Cc1ccc(F)cc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001232888961 1376532800 /nfs/dbraw/zinc/53/28/00/1376532800.db2.gz VXHAESUVVZKGCK-UHFFFAOYSA-N 2 1 345.462 3.022 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791101 1376724098 /nfs/dbraw/zinc/72/40/98/1376724098.db2.gz NUNRWFVJHKMBTH-SJORKVTESA-N 2 1 337.552 3.479 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140801729 1378141003 /nfs/dbraw/zinc/14/10/03/1378141003.db2.gz YGZJPXUVJHVYSK-FQEVSTJZSA-N 2 1 338.455 3.096 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801729 1378141006 /nfs/dbraw/zinc/14/10/06/1378141006.db2.gz YGZJPXUVJHVYSK-FQEVSTJZSA-N 2 1 338.455 3.096 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801729 1378141008 /nfs/dbraw/zinc/14/10/08/1378141008.db2.gz YGZJPXUVJHVYSK-FQEVSTJZSA-N 2 1 338.455 3.096 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148820616 1379275591 /nfs/dbraw/zinc/27/55/91/1379275591.db2.gz XNRLVBIYRBGJGQ-RTBURBONSA-N 2 1 349.563 3.364 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158481010 1381261591 /nfs/dbraw/zinc/26/15/91/1381261591.db2.gz VONUJXNVRZWTLE-RTBURBONSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158481010 1381261593 /nfs/dbraw/zinc/26/15/93/1381261593.db2.gz VONUJXNVRZWTLE-RTBURBONSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158481010 1381261601 /nfs/dbraw/zinc/26/16/01/1381261601.db2.gz VONUJXNVRZWTLE-RTBURBONSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159627930 1381852511 /nfs/dbraw/zinc/85/25/11/1381852511.db2.gz CNVDNVUPCAJVLN-IBGZPJMESA-N 2 1 335.536 3.189 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001159627930 1381852516 /nfs/dbraw/zinc/85/25/16/1381852516.db2.gz CNVDNVUPCAJVLN-IBGZPJMESA-N 2 1 335.536 3.189 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159627930 1381852524 /nfs/dbraw/zinc/85/25/24/1381852524.db2.gz CNVDNVUPCAJVLN-IBGZPJMESA-N 2 1 335.536 3.189 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159914475 1381935676 /nfs/dbraw/zinc/93/56/76/1381935676.db2.gz BVOANFPLCCLPOZ-IBGZPJMESA-N 2 1 337.552 3.460 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161213598 1382343947 /nfs/dbraw/zinc/34/39/47/1382343947.db2.gz LLRSAMZGYHLZKJ-IBGZPJMESA-N 2 1 335.536 3.211 20 30 EGEDMP C[NH+](C)CCCCNc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001161728744 1382490380 /nfs/dbraw/zinc/49/03/80/1382490380.db2.gz SOIDPHZASIMCNI-UHFFFAOYSA-N 2 1 349.482 3.270 20 30 EGEDMP COc1cccc(C2(Nc3[nH+]c(C)ccc3CC#N)CC[NH2+]CC2)c1 ZINC001161996732 1382594323 /nfs/dbraw/zinc/59/43/23/1382594323.db2.gz URLWGQBBVXUOOZ-UHFFFAOYSA-N 2 1 336.439 3.156 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578627 1383201587 /nfs/dbraw/zinc/20/15/87/1383201587.db2.gz JZDBMKNMBLFTIS-KRWDZBQOSA-N 2 1 346.519 3.239 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385633 1383618895 /nfs/dbraw/zinc/61/88/95/1383618895.db2.gz LQDYHXCUKUQNQO-MOPGFXCFSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167828045 1383751132 /nfs/dbraw/zinc/75/11/32/1383751132.db2.gz VNAALSRXIGLDKN-MJGOQNOKSA-N 2 1 348.535 3.032 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170877395 1384403523 /nfs/dbraw/zinc/40/35/23/1384403523.db2.gz DBSQPDIAQGYLMQ-IAGOWNOFSA-N 2 1 334.508 3.237 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171247969 1384478049 /nfs/dbraw/zinc/47/80/49/1384478049.db2.gz PJZIKZWMZHMHTF-OALUTQOASA-N 2 1 337.552 3.480 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCC=C ZINC001171306673 1384490572 /nfs/dbraw/zinc/49/05/72/1384490572.db2.gz AIBQJBAKXMXHEO-PMACEKPBSA-N 2 1 347.547 3.095 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCC=C ZINC001171306673 1384490575 /nfs/dbraw/zinc/49/05/75/1384490575.db2.gz AIBQJBAKXMXHEO-PMACEKPBSA-N 2 1 347.547 3.095 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171634187 1384587060 /nfs/dbraw/zinc/58/70/60/1384587060.db2.gz OARRKAWCOPPMEI-SJORKVTESA-N 2 1 343.943 3.124 20 30 EGEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCO2 ZINC001172114415 1384730434 /nfs/dbraw/zinc/73/04/34/1384730434.db2.gz BXGZWMXBSKIURK-JRSUCEMESA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCO2 ZINC001172114415 1384730437 /nfs/dbraw/zinc/73/04/37/1384730437.db2.gz BXGZWMXBSKIURK-JRSUCEMESA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172116057 1384732289 /nfs/dbraw/zinc/73/22/89/1384732289.db2.gz CWRBMFBSTQOUEB-XODKDNOYSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116057 1384732291 /nfs/dbraw/zinc/73/22/91/1384732291.db2.gz CWRBMFBSTQOUEB-XODKDNOYSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116057 1384732294 /nfs/dbraw/zinc/73/22/94/1384732294.db2.gz CWRBMFBSTQOUEB-XODKDNOYSA-N 2 1 345.531 3.035 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128273 1384735494 /nfs/dbraw/zinc/73/54/94/1384735494.db2.gz QPOQCEVWXYXOTE-YRPNKDGESA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128273 1384735497 /nfs/dbraw/zinc/73/54/97/1384735497.db2.gz QPOQCEVWXYXOTE-YRPNKDGESA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128273 1384735505 /nfs/dbraw/zinc/73/55/05/1384735505.db2.gz QPOQCEVWXYXOTE-YRPNKDGESA-N 2 1 339.483 3.417 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703650 1385378385 /nfs/dbraw/zinc/37/83/85/1385378385.db2.gz INJFFXVLPYLZTB-KRWDZBQOSA-N 2 1 334.508 3.203 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001177339585 1385919636 /nfs/dbraw/zinc/91/96/36/1385919636.db2.gz LHAXTRVWHSQPSY-HXUWFJFHSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177415907 1385948995 /nfs/dbraw/zinc/94/89/95/1385948995.db2.gz ODMXRINSCJGJAT-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179590285 1386525200 /nfs/dbraw/zinc/52/52/00/1386525200.db2.gz GRPNEJYVCKXBFP-MOPGFXCFSA-N 2 1 339.568 3.421 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179740978 1386568048 /nfs/dbraw/zinc/56/80/48/1386568048.db2.gz BSFQATVSAYXXLJ-UHFFFAOYSA-N 2 1 334.508 3.239 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179745605 1386570046 /nfs/dbraw/zinc/57/00/46/1386570046.db2.gz DLDGYKYOSABCHF-LJQANCHMSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCC ZINC001180123927 1386704871 /nfs/dbraw/zinc/70/48/71/1386704871.db2.gz OHZKRBNBPZKSNK-UHFFFAOYSA-N 2 1 325.541 3.341 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001182693573 1387207781 /nfs/dbraw/zinc/20/77/81/1387207781.db2.gz XIQQCKMROJJGCN-QZTJIDSGSA-N 2 1 346.519 3.334 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752824780 1440223094 /nfs/dbraw/zinc/22/30/94/1440223094.db2.gz DEIIMAURBBEBLB-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752841761 1440230899 /nfs/dbraw/zinc/23/08/99/1440230899.db2.gz UHVUUIKEDVHGIR-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001753040537 1440276199 /nfs/dbraw/zinc/27/61/99/1440276199.db2.gz ZPFVOTJPHZNKTJ-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753222834 1440340289 /nfs/dbraw/zinc/34/02/89/1440340289.db2.gz OZIMCGACFJUZCL-PKOBYXMFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753352774 1440378527 /nfs/dbraw/zinc/37/85/27/1440378527.db2.gz QFXMQBRNIOLAPN-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753352774 1440378528 /nfs/dbraw/zinc/37/85/28/1440378528.db2.gz QFXMQBRNIOLAPN-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753352774 1440378529 /nfs/dbraw/zinc/37/85/29/1440378529.db2.gz QFXMQBRNIOLAPN-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001753365527 1440385009 /nfs/dbraw/zinc/38/50/09/1440385009.db2.gz YDTHIBHPXOOPNR-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001753365527 1440385010 /nfs/dbraw/zinc/38/50/10/1440385010.db2.gz YDTHIBHPXOOPNR-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001753365527 1440385011 /nfs/dbraw/zinc/38/50/11/1440385011.db2.gz YDTHIBHPXOOPNR-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[N@@H+](C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001753367664 1440386377 /nfs/dbraw/zinc/38/63/77/1440386377.db2.gz UDEDRCKCNIXZPS-UHFFFAOYSA-N 2 1 349.563 3.223 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001754543948 1440626753 /nfs/dbraw/zinc/62/67/53/1440626753.db2.gz SFCJGSXBVJIFFK-MOPGFXCFSA-N 2 1 344.503 3.003 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001754543948 1440626754 /nfs/dbraw/zinc/62/67/54/1440626754.db2.gz SFCJGSXBVJIFFK-MOPGFXCFSA-N 2 1 344.503 3.003 20 30 EGEDMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001754726438 1440676512 /nfs/dbraw/zinc/67/65/12/1440676512.db2.gz ACTBSGNSJTUQEU-YLJYHZDGSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001754726438 1440676513 /nfs/dbraw/zinc/67/65/13/1440676513.db2.gz ACTBSGNSJTUQEU-YLJYHZDGSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001755046405 1440741375 /nfs/dbraw/zinc/74/13/75/1440741375.db2.gz BTNSEOXHYXJYGS-WOJBJXKFSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001755716623 1440905295 /nfs/dbraw/zinc/90/52/95/1440905295.db2.gz NLXVUYVNAWVEAG-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP N#Cc1ccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246523200 141013195 /nfs/dbraw/zinc/01/31/95/141013195.db2.gz IYFSQOMQRFLDET-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246523200 141013198 /nfs/dbraw/zinc/01/31/98/141013198.db2.gz IYFSQOMQRFLDET-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246523200 141013201 /nfs/dbraw/zinc/01/32/01/141013201.db2.gz IYFSQOMQRFLDET-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246523200 141013203 /nfs/dbraw/zinc/01/32/03/141013203.db2.gz IYFSQOMQRFLDET-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000248462830 163007743 /nfs/dbraw/zinc/00/77/43/163007743.db2.gz YOSKIMXRQHOLSK-VGSWGCGISA-N 2 1 349.478 3.366 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H](NCC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000190006738 455271061 /nfs/dbraw/zinc/27/10/61/455271061.db2.gz OESSCZORKYOQQA-YLJYHZDGSA-N 2 1 348.918 3.418 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245713925 455363096 /nfs/dbraw/zinc/36/30/96/455363096.db2.gz GMLXDYUQHRWEIP-IEBWSBKVSA-N 2 1 327.472 3.428 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245713925 455363097 /nfs/dbraw/zinc/36/30/97/455363097.db2.gz GMLXDYUQHRWEIP-IEBWSBKVSA-N 2 1 327.472 3.428 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000057965268 454158631 /nfs/dbraw/zinc/15/86/31/454158631.db2.gz XSYDYBOJALPBFZ-UHFFFAOYSA-N 2 1 329.444 3.335 20 30 EGEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C[C@@H](C)O1 ZINC000171306902 455060407 /nfs/dbraw/zinc/06/04/07/455060407.db2.gz JPBSFKDGHYITFZ-HZPDHXFCSA-N 2 1 345.462 3.019 20 30 EGEDMP C=CCC[C@@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247932210 455656491 /nfs/dbraw/zinc/65/64/91/455656491.db2.gz CDEYGBZUHSEGOG-WOJBJXKFSA-N 2 1 343.515 3.218 20 30 EGEDMP C[C@H](NC(=[NH2+])NCC1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1Cl ZINC000271861729 455791014 /nfs/dbraw/zinc/79/10/14/455791014.db2.gz ZAIQBXACFXKDJC-NSHDSACASA-N 2 1 341.286 3.221 20 30 EGEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000263245630 456114434 /nfs/dbraw/zinc/11/44/34/456114434.db2.gz MTHHPSAAABURSA-GOSISDBHSA-N 2 1 338.455 3.332 20 30 EGEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000263245631 456114646 /nfs/dbraw/zinc/11/46/46/456114646.db2.gz MTHHPSAAABURSA-SFHVURJKSA-N 2 1 338.455 3.332 20 30 EGEDMP C[NH+]1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000237169827 456241640 /nfs/dbraw/zinc/24/16/40/456241640.db2.gz HQWGBDIUTKOTKC-UHFFFAOYSA-N 2 1 335.451 3.321 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290637551 456392339 /nfs/dbraw/zinc/39/23/39/456392339.db2.gz YIYAWMJQAYVRRX-IBGZPJMESA-N 2 1 344.499 3.424 20 30 EGEDMP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000330280633 457021108 /nfs/dbraw/zinc/02/11/08/457021108.db2.gz SSNCSNSITJXELC-IAGOWNOFSA-N 2 1 347.507 3.218 20 30 EGEDMP N#CCC[C@H](C#N)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371352491 457878952 /nfs/dbraw/zinc/87/89/52/457878952.db2.gz GJDDETZYVGWRLD-HXUWFJFHSA-N 2 1 336.483 3.418 20 30 EGEDMP N#CCC[C@H](C#N)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371352491 457878965 /nfs/dbraw/zinc/87/89/65/457878965.db2.gz GJDDETZYVGWRLD-HXUWFJFHSA-N 2 1 336.483 3.418 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000459727758 458459763 /nfs/dbraw/zinc/45/97/63/458459763.db2.gz HIVICWQCSHUHSO-KRWDZBQOSA-N 2 1 332.488 3.472 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494657567 458721777 /nfs/dbraw/zinc/72/17/77/458721777.db2.gz AQOGQSNKJVFILW-CVEARBPZSA-N 2 1 339.524 3.308 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488003358 459536445 /nfs/dbraw/zinc/53/64/45/459536445.db2.gz RROUBVCWPKUMPA-YLJYHZDGSA-N 2 1 329.488 3.093 20 30 EGEDMP Cc1cc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1C#N ZINC000488992490 459557064 /nfs/dbraw/zinc/55/70/64/459557064.db2.gz KGFJUUHUMYNRQI-SFTDATJTSA-N 2 1 334.467 3.387 20 30 EGEDMP COc1ccc([C@@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000574391357 459812716 /nfs/dbraw/zinc/81/27/16/459812716.db2.gz XXHGBQUCNMUJOO-ZGIUJUBFSA-N 2 1 327.472 3.408 20 30 EGEDMP CC[N@H+](Cc1cccc(C#N)n1)CC1CCN(c2ccccn2)CC1 ZINC000602479255 459957964 /nfs/dbraw/zinc/95/79/64/459957964.db2.gz ZLJOIGIDLUTVNF-UHFFFAOYSA-N 2 1 335.455 3.087 20 30 EGEDMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602515180 459977855 /nfs/dbraw/zinc/97/78/55/459977855.db2.gz NZPVDISRTRTCJF-KRWDZBQOSA-N 2 1 334.467 3.475 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602515180 459977859 /nfs/dbraw/zinc/97/78/59/459977859.db2.gz NZPVDISRTRTCJF-KRWDZBQOSA-N 2 1 334.467 3.475 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594440430 460221187 /nfs/dbraw/zinc/22/11/87/460221187.db2.gz CGFBJJYGCQCCAV-APWZRJJASA-N 2 1 342.487 3.411 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000131341688 1293687762 /nfs/dbraw/zinc/68/77/62/1293687762.db2.gz JYMWJFNUPAZBJG-KRWDZBQOSA-N 2 1 344.499 3.437 20 30 EGEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C1CCCC1 ZINC000160727423 1294276505 /nfs/dbraw/zinc/27/65/05/1294276505.db2.gz IZZURLDKGSQHJZ-UHFFFAOYSA-N 2 1 344.381 3.186 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000164532764 1294350303 /nfs/dbraw/zinc/35/03/03/1294350303.db2.gz GYXJSECJEFNLHI-AEFFLSMTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000164532764 1294350311 /nfs/dbraw/zinc/35/03/11/1294350311.db2.gz GYXJSECJEFNLHI-AEFFLSMTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000164532764 1294350314 /nfs/dbraw/zinc/35/03/14/1294350314.db2.gz GYXJSECJEFNLHI-AEFFLSMTSA-N 2 1 330.472 3.045 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192917572 1295815273 /nfs/dbraw/zinc/81/52/73/1295815273.db2.gz KCNABPLRKHRGMA-HXUWFJFHSA-N 2 1 334.463 3.310 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192917572 1295815286 /nfs/dbraw/zinc/81/52/86/1295815286.db2.gz KCNABPLRKHRGMA-HXUWFJFHSA-N 2 1 334.463 3.310 20 30 EGEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC2(C1)CCCCC2 ZINC000262478040 1296635788 /nfs/dbraw/zinc/63/57/88/1296635788.db2.gz QQLDIZGFYVIXBA-QGZVFWFLSA-N 2 1 332.536 3.092 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000303889624 1296870484 /nfs/dbraw/zinc/87/04/84/1296870484.db2.gz PPFCOVNUZHFGLC-ZDUSSCGKSA-N 2 1 338.883 3.196 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH+]=C(N(C)C)N(C)C)C1 ZINC000303897223 1296874088 /nfs/dbraw/zinc/87/40/88/1296874088.db2.gz QHXNPTMGRGBJTK-CALCHBBNSA-N 2 1 330.520 3.144 20 30 EGEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccc2c(c1)CCC2 ZINC000303901147 1296875589 /nfs/dbraw/zinc/87/55/89/1296875589.db2.gz SMUFITLWWCMNGB-UHFFFAOYSA-N 2 1 348.494 3.350 20 30 EGEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000876719640 1298936864 /nfs/dbraw/zinc/93/68/64/1298936864.db2.gz QNIJEKDOGJDCMR-MAUKXSAKSA-N 2 1 349.906 3.147 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740152 1318649666 /nfs/dbraw/zinc/64/96/66/1318649666.db2.gz QSCOYAJYHHLZJF-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000815652387 1319037236 /nfs/dbraw/zinc/03/72/36/1319037236.db2.gz ADLUONLVXSHKJC-LBPRGKRZSA-N 2 1 327.241 3.194 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Br)c(F)c1 ZINC000815652387 1319037245 /nfs/dbraw/zinc/03/72/45/1319037245.db2.gz ADLUONLVXSHKJC-LBPRGKRZSA-N 2 1 327.241 3.194 20 30 EGEDMP C#CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000817275343 1319310222 /nfs/dbraw/zinc/31/02/22/1319310222.db2.gz FQOPRACPVLZIFS-QFIPXVFZSA-N 2 1 334.463 3.373 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646099 1319766280 /nfs/dbraw/zinc/76/62/80/1319766280.db2.gz HUJBJARONIFARJ-LJQANCHMSA-N 2 1 343.515 3.156 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279578 1324102007 /nfs/dbraw/zinc/10/20/07/1324102007.db2.gz DTARIDSATZLDOJ-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025302733 1324136314 /nfs/dbraw/zinc/13/63/14/1324136314.db2.gz WZOGIJVATWTEHC-WOJBJXKFSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433815 1324272988 /nfs/dbraw/zinc/27/29/88/1324272988.db2.gz PNBPHAPENHUMDQ-HOTGVXAUSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586070 1324427965 /nfs/dbraw/zinc/42/79/65/1324427965.db2.gz VRPFVJSJNTYKRM-AZUAARDMSA-N 2 1 349.563 3.290 20 30 EGEDMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OCC#N)cc1 ZINC000853240670 1325070208 /nfs/dbraw/zinc/07/02/08/1325070208.db2.gz QMVROXWHDSWKRO-FUHWJXTLSA-N 2 1 327.472 3.362 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000927162842 1327901419 /nfs/dbraw/zinc/90/14/19/1327901419.db2.gz BACRWKSOQQQEOH-XLIONFOSSA-N 2 1 349.482 3.008 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000927162842 1327901422 /nfs/dbraw/zinc/90/14/22/1327901422.db2.gz BACRWKSOQQQEOH-XLIONFOSSA-N 2 1 349.482 3.008 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943519324 1332192949 /nfs/dbraw/zinc/19/29/49/1332192949.db2.gz WJDLLFZQPRXVAQ-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647907 1333611205 /nfs/dbraw/zinc/61/12/05/1333611205.db2.gz NFKGFFNTVNWOFW-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928538 1336093305 /nfs/dbraw/zinc/09/33/05/1336093305.db2.gz NJOGICKECYFMOH-VQTJNVASSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928538 1336093307 /nfs/dbraw/zinc/09/33/07/1336093307.db2.gz NJOGICKECYFMOH-VQTJNVASSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928538 1336093311 /nfs/dbraw/zinc/09/33/11/1336093311.db2.gz NJOGICKECYFMOH-VQTJNVASSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990355 1336111852 /nfs/dbraw/zinc/11/18/52/1336111852.db2.gz BQDKTPLXTMUIMT-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990355 1336111855 /nfs/dbraw/zinc/11/18/55/1336111855.db2.gz BQDKTPLXTMUIMT-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990355 1336111856 /nfs/dbraw/zinc/11/18/56/1336111856.db2.gz BQDKTPLXTMUIMT-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016660794 1338682478 /nfs/dbraw/zinc/68/24/78/1338682478.db2.gz BMWCOJVKTLVPPO-OALUTQOASA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433848 1345496976 /nfs/dbraw/zinc/49/69/76/1345496976.db2.gz ZRRJAKJYFMODHK-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875169 1345592859 /nfs/dbraw/zinc/59/28/59/1345592859.db2.gz UQRFKHGFAKHBHL-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441608 1346594490 /nfs/dbraw/zinc/59/44/90/1346594490.db2.gz IBZPWGGKMZAZKR-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045941018 1346776985 /nfs/dbraw/zinc/77/69/85/1346776985.db2.gz HHXANNNVIUNGHO-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045941018 1346776994 /nfs/dbraw/zinc/77/69/94/1346776994.db2.gz HHXANNNVIUNGHO-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045941018 1346776998 /nfs/dbraw/zinc/77/69/98/1346776998.db2.gz HHXANNNVIUNGHO-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045944083 1346780249 /nfs/dbraw/zinc/78/02/49/1346780249.db2.gz WXDYCDYQSGWSIP-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045944083 1346780250 /nfs/dbraw/zinc/78/02/50/1346780250.db2.gz WXDYCDYQSGWSIP-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045944083 1346780252 /nfs/dbraw/zinc/78/02/52/1346780252.db2.gz WXDYCDYQSGWSIP-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001048583414 1347605636 /nfs/dbraw/zinc/60/56/36/1347605636.db2.gz KCMYYGJAXICEFS-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001048583414 1347605638 /nfs/dbraw/zinc/60/56/38/1347605638.db2.gz KCMYYGJAXICEFS-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001048583414 1347605641 /nfs/dbraw/zinc/60/56/41/1347605641.db2.gz KCMYYGJAXICEFS-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050544627 1348287306 /nfs/dbraw/zinc/28/73/06/1348287306.db2.gz RDSGHMXPDZCAED-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071509009 1354733480 /nfs/dbraw/zinc/73/34/80/1354733480.db2.gz WGJGNIJBUFWLRW-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049526 1358378119 /nfs/dbraw/zinc/37/81/19/1358378119.db2.gz HPBCSSZSNBDKIK-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088395026 1359870846 /nfs/dbraw/zinc/87/08/46/1359870846.db2.gz VCLCHVGVDWAYCQ-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400586 1360399995 /nfs/dbraw/zinc/39/99/95/1360399995.db2.gz JTGSKQNCXWWROR-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400586 1360399997 /nfs/dbraw/zinc/39/99/97/1360399997.db2.gz JTGSKQNCXWWROR-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400586 1360400000 /nfs/dbraw/zinc/40/00/00/1360400000.db2.gz JTGSKQNCXWWROR-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472346 1360455472 /nfs/dbraw/zinc/45/54/72/1360455472.db2.gz GQRZOFSOJGDOKO-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472346 1360455473 /nfs/dbraw/zinc/45/54/73/1360455473.db2.gz GQRZOFSOJGDOKO-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472346 1360455475 /nfs/dbraw/zinc/45/54/75/1360455475.db2.gz GQRZOFSOJGDOKO-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089504847 1360477994 /nfs/dbraw/zinc/47/79/94/1360477994.db2.gz CXILNKBLIUXKEY-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089504847 1360477995 /nfs/dbraw/zinc/47/79/95/1360477995.db2.gz CXILNKBLIUXKEY-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510643 1360482311 /nfs/dbraw/zinc/48/23/11/1360482311.db2.gz ZHEZOHXTFDZSTE-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089706357 1360608828 /nfs/dbraw/zinc/60/88/28/1360608828.db2.gz RIJPQESOEZYPEU-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089706357 1360608830 /nfs/dbraw/zinc/60/88/30/1360608830.db2.gz RIJPQESOEZYPEU-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089706357 1360608833 /nfs/dbraw/zinc/60/88/33/1360608833.db2.gz RIJPQESOEZYPEU-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184683331 1387507999 /nfs/dbraw/zinc/50/79/99/1387507999.db2.gz HTNQADDYJDFYHL-ROUUACIJSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171575 1387633126 /nfs/dbraw/zinc/63/31/26/1387633126.db2.gz XFTHFDDZFXMSKO-ZWKOTPCHSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099154554 1363660043 /nfs/dbraw/zinc/66/00/43/1363660043.db2.gz ZLAQRASXAQYLEL-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225407 1363701286 /nfs/dbraw/zinc/70/12/86/1363701286.db2.gz UHLYWYOLFXIVNQ-ZWKOTPCHSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099234002 1363705845 /nfs/dbraw/zinc/70/58/45/1363705845.db2.gz FUPJDXKUFPTCAC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234002 1363705850 /nfs/dbraw/zinc/70/58/50/1363705850.db2.gz FUPJDXKUFPTCAC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234002 1363705852 /nfs/dbraw/zinc/70/58/52/1363705852.db2.gz FUPJDXKUFPTCAC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353509 1363768534 /nfs/dbraw/zinc/76/85/34/1363768534.db2.gz BSUIQRUSUISZHA-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372665 1363778524 /nfs/dbraw/zinc/77/85/24/1363778524.db2.gz PDXZQEXAVFZSQS-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001185317418 1387681441 /nfs/dbraw/zinc/68/14/41/1387681441.db2.gz PHLGEXCGHYECAL-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001102465929 1365070451 /nfs/dbraw/zinc/07/04/51/1365070451.db2.gz COMFARYGPCCUND-YLJYHZDGSA-N 2 1 343.515 3.012 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104286860 1365976602 /nfs/dbraw/zinc/97/66/02/1365976602.db2.gz KEHWXLLJUSYOCX-VAMGGRTRSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001104370456 1365991350 /nfs/dbraw/zinc/99/13/50/1365991350.db2.gz WTGACCAHUFWUIR-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539907 1366518808 /nfs/dbraw/zinc/51/88/08/1366518808.db2.gz SKTSLXSOLJRDNG-GUDVDZBRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105574588 1366539538 /nfs/dbraw/zinc/53/95/38/1366539538.db2.gz BNXGMGCSSBSGJJ-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577536 1366541569 /nfs/dbraw/zinc/54/15/69/1366541569.db2.gz WYDHNDUCJCCRAR-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107328878 1366930325 /nfs/dbraw/zinc/93/03/25/1366930325.db2.gz BNLFSRDULPEDFX-QKNQBKEWSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107328878 1366930326 /nfs/dbraw/zinc/93/03/26/1366930326.db2.gz BNLFSRDULPEDFX-QKNQBKEWSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328878 1366930328 /nfs/dbraw/zinc/93/03/28/1366930328.db2.gz BNLFSRDULPEDFX-QKNQBKEWSA-N 2 1 349.563 3.412 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107401895 1366953137 /nfs/dbraw/zinc/95/31/37/1366953137.db2.gz FHGFZLUXIAYCBY-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107401895 1366953138 /nfs/dbraw/zinc/95/31/38/1366953138.db2.gz FHGFZLUXIAYCBY-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107401895 1366953140 /nfs/dbraw/zinc/95/31/40/1366953140.db2.gz FHGFZLUXIAYCBY-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190083366 1367168886 /nfs/dbraw/zinc/16/88/86/1367168886.db2.gz ANSMJOMWKWHHAZ-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190083366 1367168894 /nfs/dbraw/zinc/16/88/94/1367168894.db2.gz ANSMJOMWKWHHAZ-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190083366 1367168897 /nfs/dbraw/zinc/16/88/97/1367168897.db2.gz ANSMJOMWKWHHAZ-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190484251 1367274269 /nfs/dbraw/zinc/27/42/69/1367274269.db2.gz VOLYREPTGHHXMS-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190484251 1367274277 /nfs/dbraw/zinc/27/42/77/1367274277.db2.gz VOLYREPTGHHXMS-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190484251 1367274282 /nfs/dbraw/zinc/27/42/82/1367274282.db2.gz VOLYREPTGHHXMS-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948860 1368116428 /nfs/dbraw/zinc/11/64/28/1368116428.db2.gz OQDDJSHLCVHKEH-HPBDAGMYSA-N 2 1 345.487 3.031 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948860 1368116433 /nfs/dbraw/zinc/11/64/33/1368116433.db2.gz OQDDJSHLCVHKEH-HPBDAGMYSA-N 2 1 345.487 3.031 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110995002 1368137690 /nfs/dbraw/zinc/13/76/90/1368137690.db2.gz MSOSSBBRGCIJQP-AKHDSKFASA-N 2 1 337.552 3.265 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164303 1368174422 /nfs/dbraw/zinc/17/44/22/1368174422.db2.gz RVODZSCJIIPVDL-YRXWBPOGSA-N 2 1 335.536 3.041 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266244 1368219463 /nfs/dbraw/zinc/21/94/63/1368219463.db2.gz MULWSJOLNNPMHY-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194266244 1368219467 /nfs/dbraw/zinc/21/94/67/1368219467.db2.gz MULWSJOLNNPMHY-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266244 1368219470 /nfs/dbraw/zinc/21/94/70/1368219470.db2.gz MULWSJOLNNPMHY-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111914610 1368556000 /nfs/dbraw/zinc/55/60/00/1368556000.db2.gz CWWRHHMSMXYBMV-ZJOUEHCJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197125930 1368750206 /nfs/dbraw/zinc/75/02/06/1368750206.db2.gz QKNBFCHCBVQMEC-QGZVFWFLSA-N 2 1 344.503 3.110 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001197141517 1368753803 /nfs/dbraw/zinc/75/38/03/1368753803.db2.gz IDEDFJGBLCOCPI-IBGZPJMESA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531603 1368916651 /nfs/dbraw/zinc/91/66/51/1368916651.db2.gz HLSKRTIWWNKRPJ-RXVVDRJESA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220987 1368982462 /nfs/dbraw/zinc/98/24/62/1368982462.db2.gz CBYRCOPQAUSBJJ-KDURUIRLSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198220987 1368982464 /nfs/dbraw/zinc/98/24/64/1368982464.db2.gz CBYRCOPQAUSBJJ-KDURUIRLSA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001198337710 1369010826 /nfs/dbraw/zinc/01/08/26/1369010826.db2.gz RQGYBCWOTSJBRI-UHFFFAOYSA-N 2 1 347.503 3.236 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112963901 1369111643 /nfs/dbraw/zinc/11/16/43/1369111643.db2.gz DMTQVGQAPHVPHH-IBGZPJMESA-N 2 1 337.552 3.079 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112965805 1369112988 /nfs/dbraw/zinc/11/29/88/1369112988.db2.gz ONPHVBNQSFUKDK-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202707526 1369859588 /nfs/dbraw/zinc/85/95/88/1369859588.db2.gz DQRHWACPUWPIJC-UHFFFAOYSA-N 2 1 346.519 3.334 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203180040 1370012861 /nfs/dbraw/zinc/01/28/61/1370012861.db2.gz WXYMYYODNCIBMR-ZWKOTPCHSA-N 2 1 346.519 3.179 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571541 1370573942 /nfs/dbraw/zinc/57/39/42/1370573942.db2.gz DIXSZSDHXSNABT-LJQANCHMSA-N 2 1 349.563 3.339 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115759403 1370742767 /nfs/dbraw/zinc/74/27/67/1370742767.db2.gz CGMBMNDPQIMPIA-GOSISDBHSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461869 1370762696 /nfs/dbraw/zinc/76/26/96/1370762696.db2.gz QTCQXRABNOAXDG-QUCCMNQESA-N 2 1 349.563 3.432 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC[C@H]1C[NH3+] ZINC001205639106 1370823001 /nfs/dbraw/zinc/82/30/01/1370823001.db2.gz VWFAPQNRDXUMMY-OCCSQVGLSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CCC[C@H]1C[NH3+] ZINC001206003749 1370935703 /nfs/dbraw/zinc/93/57/03/1370935703.db2.gz MEJPCWKSZYESAT-UZLBHIALSA-N 2 1 334.467 3.427 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206021654 1370940330 /nfs/dbraw/zinc/94/03/30/1370940330.db2.gz BBLYGMSWIZMUQC-FQEVSTJZSA-N 2 1 347.547 3.188 20 30 EGEDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CC[C@H]1F ZINC001206173903 1370980049 /nfs/dbraw/zinc/98/00/49/1370980049.db2.gz KPMHPHOTZFEKMT-MOPGFXCFSA-N 2 1 328.456 3.409 20 30 EGEDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CC[C@H]1F ZINC001206173903 1370980052 /nfs/dbraw/zinc/98/00/52/1370980052.db2.gz KPMHPHOTZFEKMT-MOPGFXCFSA-N 2 1 328.456 3.409 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952368 1371242891 /nfs/dbraw/zinc/24/28/91/1371242891.db2.gz LWZHGSHQJODEFV-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391359 1371558163 /nfs/dbraw/zinc/55/81/63/1371558163.db2.gz ASNQQSHSTLMBCP-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001120460566 1371584431 /nfs/dbraw/zinc/58/44/31/1371584431.db2.gz QJKDMBMZLIOLAP-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120467696 1371586101 /nfs/dbraw/zinc/58/61/01/1371586101.db2.gz APALINHMGRFJBO-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001120833894 1371777862 /nfs/dbraw/zinc/77/78/62/1371777862.db2.gz BULYJRVIHRXWPO-WZXTXQKWSA-N 2 1 335.536 3.068 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001121617207 1372027697 /nfs/dbraw/zinc/02/76/97/1372027697.db2.gz UFEUBCIJJUMFDG-PMRGXDQWSA-N 2 1 347.547 3.092 20 30 EGEDMP CCCCCCCOc1ccc(C[NH+]2CCN(CC[NH3+])CC2)cc1 ZINC001209976380 1372246355 /nfs/dbraw/zinc/24/63/55/1372246355.db2.gz NTRNGMXGHKHENW-UHFFFAOYSA-N 2 1 333.520 3.112 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211293175 1372522668 /nfs/dbraw/zinc/52/26/68/1372522668.db2.gz XFUMKVKQZLRSCS-FUHIMQAGSA-N 2 1 343.515 3.153 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376921 1372544473 /nfs/dbraw/zinc/54/44/73/1372544473.db2.gz PGCRMKVXOSCZBA-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636651 1373094097 /nfs/dbraw/zinc/09/40/97/1373094097.db2.gz OSCDGCZUXMRXFD-WSTZPKSXSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544155 1373779314 /nfs/dbraw/zinc/77/93/14/1373779314.db2.gz PARVGDUCDGADAZ-HSALFYBXSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221544155 1373779318 /nfs/dbraw/zinc/77/93/18/1373779318.db2.gz PARVGDUCDGADAZ-HSALFYBXSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221544155 1373779322 /nfs/dbraw/zinc/77/93/22/1373779322.db2.gz PARVGDUCDGADAZ-HSALFYBXSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2ncc[nH]2)CC[C@@H]1C ZINC001132030209 1375106661 /nfs/dbraw/zinc/10/66/61/1375106661.db2.gz SPGDZXHJMZODBI-DLBZAZTESA-N 2 1 334.508 3.282 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132041661 1375112718 /nfs/dbraw/zinc/11/27/18/1375112718.db2.gz IPTIXNFBRLNKHL-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132041659 1375112727 /nfs/dbraw/zinc/11/27/27/1375112727.db2.gz IPTIXNFBRLNKHL-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202025 1375206026 /nfs/dbraw/zinc/20/60/26/1375206026.db2.gz BAOZQTIHDQTZSJ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011780 1375709689 /nfs/dbraw/zinc/70/96/89/1375709689.db2.gz MEWMPDGXJXMOFP-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011131 1375710174 /nfs/dbraw/zinc/71/01/74/1375710174.db2.gz GDDBCMVKYKQNLO-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463070 1375840399 /nfs/dbraw/zinc/84/03/99/1375840399.db2.gz XSLXWWGFHHZPBN-HKUYNNGSSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790424 1376723026 /nfs/dbraw/zinc/72/30/26/1376723026.db2.gz CGLMNKQVGDZXEN-HUUCEWRRSA-N 2 1 343.943 3.265 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481491 1377113941 /nfs/dbraw/zinc/11/39/41/1377113941.db2.gz UPYLEPQYBLTCPV-OALUTQOASA-N 2 1 345.531 3.000 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481296 1377113950 /nfs/dbraw/zinc/11/39/50/1377113950.db2.gz SOKKNNAABUPCSO-RBUKOAKNSA-N 2 1 345.531 3.000 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701802 1377937446 /nfs/dbraw/zinc/93/74/46/1377937446.db2.gz RPESNTFJDRQVAC-UHFFFAOYSA-N 2 1 345.450 3.482 20 30 EGEDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc2)CC1 ZINC001140306539 1378043596 /nfs/dbraw/zinc/04/35/96/1378043596.db2.gz SVRFHNJOOHDNOH-ZKTXZKFHSA-N 2 1 338.499 3.095 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315588 1379150495 /nfs/dbraw/zinc/15/04/95/1379150495.db2.gz PTNUVHWWAKOJHT-UHFFFAOYSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315588 1379150497 /nfs/dbraw/zinc/15/04/97/1379150497.db2.gz PTNUVHWWAKOJHT-UHFFFAOYSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315588 1379150498 /nfs/dbraw/zinc/15/04/98/1379150498.db2.gz PTNUVHWWAKOJHT-UHFFFAOYSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879990 1380149160 /nfs/dbraw/zinc/14/91/60/1380149160.db2.gz SBPMWQCJWPNIEN-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879990 1380149161 /nfs/dbraw/zinc/14/91/61/1380149161.db2.gz SBPMWQCJWPNIEN-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879990 1380149163 /nfs/dbraw/zinc/14/91/63/1380149163.db2.gz SBPMWQCJWPNIEN-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158062048 1381117069 /nfs/dbraw/zinc/11/70/69/1381117069.db2.gz YIKXAPUYQSSHAP-QZTJIDSGSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158062048 1381117074 /nfs/dbraw/zinc/11/70/74/1381117074.db2.gz YIKXAPUYQSSHAP-QZTJIDSGSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158185869 1381151362 /nfs/dbraw/zinc/15/13/62/1381151362.db2.gz LNHQQCXPNRMZHW-GOSISDBHSA-N 2 1 340.471 3.227 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598183 1381313382 /nfs/dbraw/zinc/31/33/82/1381313382.db2.gz RLLWHARNCWSJJW-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158598183 1381313387 /nfs/dbraw/zinc/31/33/87/1381313387.db2.gz RLLWHARNCWSJJW-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001159908274 1381933986 /nfs/dbraw/zinc/93/39/86/1381933986.db2.gz HWFPBDPTCGKXQQ-GOSISDBHSA-N 2 1 325.541 3.316 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379643 1382088256 /nfs/dbraw/zinc/08/82/56/1382088256.db2.gz MRNIDWZKEGKAJA-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379643 1382088261 /nfs/dbraw/zinc/08/82/61/1382088261.db2.gz MRNIDWZKEGKAJA-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379643 1382088264 /nfs/dbraw/zinc/08/82/64/1382088264.db2.gz MRNIDWZKEGKAJA-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161213883 1382344441 /nfs/dbraw/zinc/34/44/41/1382344441.db2.gz NKCNWRFYKSLPAH-LJQANCHMSA-N 2 1 335.536 3.211 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356453 1382381997 /nfs/dbraw/zinc/38/19/97/1382381997.db2.gz POQFYSQDVOZTJU-UHFFFAOYSA-N 2 1 344.503 3.111 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356453 1382382004 /nfs/dbraw/zinc/38/20/04/1382382004.db2.gz POQFYSQDVOZTJU-UHFFFAOYSA-N 2 1 344.503 3.111 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383203 1382391753 /nfs/dbraw/zinc/39/17/53/1382391753.db2.gz MBZKTVADKZZTIU-IBGZPJMESA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947023 1382565411 /nfs/dbraw/zinc/56/54/11/1382565411.db2.gz SGRYCJUFOOJYBW-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947023 1382565418 /nfs/dbraw/zinc/56/54/18/1382565418.db2.gz SGRYCJUFOOJYBW-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166189194 1383399517 /nfs/dbraw/zinc/39/95/17/1383399517.db2.gz BUVCOBJRGLURNI-UHFFFAOYSA-N 2 1 334.508 3.038 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240142 1383573057 /nfs/dbraw/zinc/57/30/57/1383573057.db2.gz CMEOZSAMDLLZKK-UHFFFAOYSA-N 2 1 349.563 3.341 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167710772 1383718877 /nfs/dbraw/zinc/71/88/77/1383718877.db2.gz NKVBISGHEOJAKV-LJQANCHMSA-N 2 1 343.515 3.132 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001167733145 1383724868 /nfs/dbraw/zinc/72/48/68/1383724868.db2.gz VOJILPMFKAXXOI-SFHVURJKSA-N 2 1 337.552 3.175 20 30 EGEDMP C[C@@H]1C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168103079 1383817490 /nfs/dbraw/zinc/81/74/90/1383817490.db2.gz RPAXAPPOWVMJDZ-HUYLIWGRSA-N 2 1 327.472 3.198 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC([NH+](C)C)CC1)[C@@H]2CC ZINC001168319043 1383871878 /nfs/dbraw/zinc/87/18/78/1383871878.db2.gz MPUUFCNWPQWQMI-BRAJZSMUSA-N 2 1 347.547 3.281 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001171181929 1384462029 /nfs/dbraw/zinc/46/20/29/1384462029.db2.gz RCUWLFPJPOLVBV-SFHVURJKSA-N 2 1 349.478 3.111 20 30 EGEDMP COc1cccc(C2([NH3+])CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171198192 1384466950 /nfs/dbraw/zinc/46/69/50/1384466950.db2.gz IPCXGUGSPYWKFC-QGZVFWFLSA-N 2 1 349.478 3.448 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116638 1384733136 /nfs/dbraw/zinc/73/31/36/1384733136.db2.gz LYFIHCIWJGSUSB-RCLSDMTESA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116638 1384733137 /nfs/dbraw/zinc/73/31/37/1384733137.db2.gz LYFIHCIWJGSUSB-RCLSDMTESA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116638 1384733142 /nfs/dbraw/zinc/73/31/42/1384733142.db2.gz LYFIHCIWJGSUSB-RCLSDMTESA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880044 1385163841 /nfs/dbraw/zinc/16/38/41/1385163841.db2.gz BZBGDBKQLJKUFM-MJGOQNOKSA-N 2 1 335.536 3.234 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565401 1385626815 /nfs/dbraw/zinc/62/68/15/1385626815.db2.gz UYEYNZZWLQQIRE-ZWKOTPCHSA-N 2 1 325.541 3.173 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176600407 1385637246 /nfs/dbraw/zinc/63/72/46/1385637246.db2.gz NWFOWTGLOADFFI-KRWDZBQOSA-N 2 1 336.524 3.427 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001177342456 1385921117 /nfs/dbraw/zinc/92/11/17/1385921117.db2.gz NZMRUUZSFCFNMU-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634417 1386265471 /nfs/dbraw/zinc/26/54/71/1386265471.db2.gz UOXSQDJVLNQTGM-RBUKOAKNSA-N 2 1 337.552 3.482 20 30 EGEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179362131 1386464063 /nfs/dbraw/zinc/46/40/63/1386464063.db2.gz YBTCMRUSYIRSOW-HXUWFJFHSA-N 2 1 347.547 3.073 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001179580746 1386522618 /nfs/dbraw/zinc/52/26/18/1386522618.db2.gz OJEBDPTUYOFZFJ-LJQANCHMSA-N 2 1 337.552 3.483 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181518512 1387008666 /nfs/dbraw/zinc/00/86/66/1387008666.db2.gz UWDQJNPABFXMBZ-FUHIMQAGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346204 1387154236 /nfs/dbraw/zinc/15/42/36/1387154236.db2.gz LYXDIEVYUNYQSQ-SVFBPWRDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001731355112 1427296189 /nfs/dbraw/zinc/29/61/89/1427296189.db2.gz IGXIWJKKQQZORO-WOJBJXKFSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001731355112 1427296185 /nfs/dbraw/zinc/29/61/85/1427296185.db2.gz IGXIWJKKQQZORO-WOJBJXKFSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001731355112 1427296187 /nfs/dbraw/zinc/29/61/87/1427296187.db2.gz IGXIWJKKQQZORO-WOJBJXKFSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001731355112 1427296193 /nfs/dbraw/zinc/29/61/93/1427296193.db2.gz IGXIWJKKQQZORO-WOJBJXKFSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001752542623 1440194749 /nfs/dbraw/zinc/19/47/49/1440194749.db2.gz NYXPDFDRGIUFLA-WTGUMLROSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001752542623 1440194750 /nfs/dbraw/zinc/19/47/50/1440194750.db2.gz NYXPDFDRGIUFLA-WTGUMLROSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001752542623 1440194751 /nfs/dbraw/zinc/19/47/51/1440194751.db2.gz NYXPDFDRGIUFLA-WTGUMLROSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001752790437 1440213767 /nfs/dbraw/zinc/21/37/67/1440213767.db2.gz YJHLFTCKCOLDKS-LJQANCHMSA-N 2 1 335.536 3.047 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001752790436 1440213774 /nfs/dbraw/zinc/21/37/74/1440213774.db2.gz YJHLFTCKCOLDKS-IBGZPJMESA-N 2 1 335.536 3.047 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001753062224 1440283821 /nfs/dbraw/zinc/28/38/21/1440283821.db2.gz ZCLSYBNNKPKSDK-HKUYNNGSSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753062224 1440283822 /nfs/dbraw/zinc/28/38/22/1440283822.db2.gz ZCLSYBNNKPKSDK-HKUYNNGSSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753062224 1440283823 /nfs/dbraw/zinc/28/38/23/1440283823.db2.gz ZCLSYBNNKPKSDK-HKUYNNGSSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753549425 1440434812 /nfs/dbraw/zinc/43/48/12/1440434812.db2.gz WMABKBHDAQYZAR-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753557391 1440436211 /nfs/dbraw/zinc/43/62/11/1440436211.db2.gz KLPNIPPGKKDJEP-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001753570129 1440438367 /nfs/dbraw/zinc/43/83/67/1440438367.db2.gz BXPIKZWTPWTFKK-WOJBJXKFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001753603457 1440447305 /nfs/dbraw/zinc/44/73/05/1440447305.db2.gz ZZDVJLSYMHIWFT-UHFFFAOYSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001753669538 1440461569 /nfs/dbraw/zinc/46/15/69/1440461569.db2.gz VZCYKAYNAFEUGR-SFHVURJKSA-N 2 1 335.536 3.234 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001754874597 1440706588 /nfs/dbraw/zinc/70/65/88/1440706588.db2.gz FOMNZUXSKPIPIM-RBUKOAKNSA-N 2 1 346.519 3.085 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001754874597 1440706589 /nfs/dbraw/zinc/70/65/89/1440706589.db2.gz FOMNZUXSKPIPIM-RBUKOAKNSA-N 2 1 346.519 3.085 20 30 EGEDMP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001754948336 1440714172 /nfs/dbraw/zinc/71/41/72/1440714172.db2.gz YKSUENXCLUEVNB-APWZRJJASA-N 2 1 329.488 3.014 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001755205045 1440781964 /nfs/dbraw/zinc/78/19/64/1440781964.db2.gz PKBRYEPXYNGBHM-VQTJNVASSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001755211721 1440783180 /nfs/dbraw/zinc/78/31/80/1440783180.db2.gz UVIBHVQQNCQCSY-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001755211721 1440783181 /nfs/dbraw/zinc/78/31/81/1440783181.db2.gz UVIBHVQQNCQCSY-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001755211721 1440783182 /nfs/dbraw/zinc/78/31/82/1440783182.db2.gz UVIBHVQQNCQCSY-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001755275610 1440798906 /nfs/dbraw/zinc/79/89/06/1440798906.db2.gz YMKPPEYHDMXBGC-MUYFXNHWSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001755278721 1440800081 /nfs/dbraw/zinc/80/00/81/1440800081.db2.gz NVZJIOTZJBCIBN-ACBHZAAOSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+](C)C)C[C@@]2(C)C1 ZINC001755460901 1440857464 /nfs/dbraw/zinc/85/74/64/1440857464.db2.gz OVRDPBKKYPDXSA-SESVDKBCSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755560063 1440874219 /nfs/dbraw/zinc/87/42/19/1440874219.db2.gz OXBHQTHLBQFINB-WOJBJXKFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755899690 1440943467 /nfs/dbraw/zinc/94/34/67/1440943467.db2.gz LBKLXENLBIUQJY-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C[N@@H+](CCOc1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110298 453965316 /nfs/dbraw/zinc/96/53/16/453965316.db2.gz GUWURJDVDYCUDO-OAQYLSRUSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1cccc(C#N)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110298 453965319 /nfs/dbraw/zinc/96/53/19/453965319.db2.gz GUWURJDVDYCUDO-OAQYLSRUSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110298 453965322 /nfs/dbraw/zinc/96/53/22/453965322.db2.gz GUWURJDVDYCUDO-OAQYLSRUSA-N 2 1 349.478 3.391 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123194367 454612828 /nfs/dbraw/zinc/61/28/28/454612828.db2.gz OUWVXJMMWLKSEI-SJORKVTESA-N 2 1 337.508 3.062 20 30 EGEDMP N#CCC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CC1 ZINC000093091600 454681944 /nfs/dbraw/zinc/68/19/44/454681944.db2.gz GDCRPAFZQGAADY-UHFFFAOYSA-N 2 1 327.472 3.287 20 30 EGEDMP N#CCC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1CC1 ZINC000093091600 454681947 /nfs/dbraw/zinc/68/19/47/454681947.db2.gz GDCRPAFZQGAADY-UHFFFAOYSA-N 2 1 327.472 3.287 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176992843 454808660 /nfs/dbraw/zinc/80/86/60/454808660.db2.gz NAHCBXRUYPYGCE-MRXNPFEDSA-N 2 1 327.472 3.474 20 30 EGEDMP N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000113320916 454923027 /nfs/dbraw/zinc/92/30/27/454923027.db2.gz SDABXCOEMGFGIW-KRWDZBQOSA-N 2 1 349.482 3.038 20 30 EGEDMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(C#N)cc1 ZINC000278802159 455849368 /nfs/dbraw/zinc/84/93/68/455849368.db2.gz RIOOMVHCDSJOFK-LJQANCHMSA-N 2 1 327.472 3.244 20 30 EGEDMP C[C@H](NC(=O)[C@@H]1CCn2cncc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329330313 456873319 /nfs/dbraw/zinc/87/33/19/456873319.db2.gz YYQIVFRRWYLRSP-ARFHVFGLSA-N 2 1 330.476 3.055 20 30 EGEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329896318 456957706 /nfs/dbraw/zinc/95/77/06/456957706.db2.gz KUWJJOOCJWFPOO-JKSUJKDBSA-N 2 1 330.476 3.057 20 30 EGEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329896318 456957709 /nfs/dbraw/zinc/95/77/09/456957709.db2.gz KUWJJOOCJWFPOO-JKSUJKDBSA-N 2 1 330.476 3.057 20 30 EGEDMP C=CCOc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000360154201 457279255 /nfs/dbraw/zinc/27/92/55/457279255.db2.gz ORGDHJJDXWZOIL-UHFFFAOYSA-N 2 1 332.488 3.472 20 30 EGEDMP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000373870847 457376630 /nfs/dbraw/zinc/37/66/30/457376630.db2.gz XXOULUIKSVAHFU-WIYYLYMNSA-N 2 1 346.490 3.403 20 30 EGEDMP N#CC1(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000375600679 457986054 /nfs/dbraw/zinc/98/60/54/457986054.db2.gz ZGULYWXSSNJTOO-MJGOQNOKSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000375600679 457986057 /nfs/dbraw/zinc/98/60/57/457986057.db2.gz ZGULYWXSSNJTOO-MJGOQNOKSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000375600679 457986067 /nfs/dbraw/zinc/98/60/67/457986067.db2.gz ZGULYWXSSNJTOO-MJGOQNOKSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000375600680 457986197 /nfs/dbraw/zinc/98/61/97/457986197.db2.gz ZGULYWXSSNJTOO-PKOBYXMFSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000375600680 457986203 /nfs/dbraw/zinc/98/62/03/457986203.db2.gz ZGULYWXSSNJTOO-PKOBYXMFSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000375600680 457986206 /nfs/dbraw/zinc/98/62/06/457986206.db2.gz ZGULYWXSSNJTOO-PKOBYXMFSA-N 2 1 331.504 3.036 20 30 EGEDMP C=CC[N@@H+](CCc1ccco1)Cc1cccc(CN2CCOCC2)c1 ZINC000420933775 458404101 /nfs/dbraw/zinc/40/41/01/458404101.db2.gz IIBQTIBTCAHCMB-UHFFFAOYSA-N 2 1 340.467 3.343 20 30 EGEDMP CC1(C#N)CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423364883 458431445 /nfs/dbraw/zinc/43/14/45/458431445.db2.gz KBMMLWAPXWDAJI-NRXYVGEYSA-N 2 1 333.426 3.472 20 30 EGEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453373785 458526502 /nfs/dbraw/zinc/52/65/02/458526502.db2.gz WUXBCMDMHFHGTR-AFDCHOCNSA-N 2 1 326.484 3.220 20 30 EGEDMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C#N)n2)CC1)CC1CC1 ZINC000602507538 459974580 /nfs/dbraw/zinc/97/45/80/459974580.db2.gz UUKNSOYYDGMKQL-UHFFFAOYSA-N 2 1 326.488 3.287 20 30 EGEDMP C=CC[C@]1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000662826248 461384291 /nfs/dbraw/zinc/38/42/91/461384291.db2.gz XTNOJGBHGCXTEX-GHTZIAJQSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000738228437 576302647 /nfs/dbraw/zinc/30/26/47/576302647.db2.gz VFSOFLFOSXANGU-HNNXBMFYSA-N 2 1 330.501 3.155 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000738228437 576302650 /nfs/dbraw/zinc/30/26/50/576302650.db2.gz VFSOFLFOSXANGU-HNNXBMFYSA-N 2 1 330.501 3.155 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000030904585 1291358017 /nfs/dbraw/zinc/35/80/17/1291358017.db2.gz ZZVMCEKFAZYQIJ-JOCHJYFZSA-N 2 1 348.494 3.027 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N1CCC[C@H](C)C1 ZINC000089131584 1292757547 /nfs/dbraw/zinc/75/75/47/1292757547.db2.gz IJPFFYYNPWNMKI-BQFCYCMXSA-N 2 1 348.560 3.438 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000834773707 1293145857 /nfs/dbraw/zinc/14/58/57/1293145857.db2.gz JCPCPHUWWAPVBP-BDTNDASRSA-N 2 1 346.478 3.486 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000834773707 1293145859 /nfs/dbraw/zinc/14/58/59/1293145859.db2.gz JCPCPHUWWAPVBP-BDTNDASRSA-N 2 1 346.478 3.486 20 30 EGEDMP N#CCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000192949407 1295817448 /nfs/dbraw/zinc/81/74/48/1295817448.db2.gz JXFZPPUKWXPMBC-UHFFFAOYSA-N 2 1 349.478 3.386 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])NCC1CCC1 ZINC000303771712 1296849821 /nfs/dbraw/zinc/84/98/21/1296849821.db2.gz CVWZFRIMBSWWCP-MRXNPFEDSA-N 2 1 328.504 3.265 20 30 EGEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OC(C)(C)C ZINC000304826839 1296946002 /nfs/dbraw/zinc/94/60/02/1296946002.db2.gz HNUQBBLBIOZTSD-KRWDZBQOSA-N 2 1 346.519 3.061 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000815652694 1319038067 /nfs/dbraw/zinc/03/80/67/1319038067.db2.gz NGOZMZFEELNQQX-PKOBYXMFSA-N 2 1 332.463 3.405 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000815652694 1319038076 /nfs/dbraw/zinc/03/80/76/1319038076.db2.gz NGOZMZFEELNQQX-PKOBYXMFSA-N 2 1 332.463 3.405 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696331 1319819660 /nfs/dbraw/zinc/81/96/60/1319819660.db2.gz KTXAOQNHWYJVQJ-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696331 1319819678 /nfs/dbraw/zinc/81/96/78/1319819678.db2.gz KTXAOQNHWYJVQJ-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696331 1319819690 /nfs/dbraw/zinc/81/96/90/1319819690.db2.gz KTXAOQNHWYJVQJ-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696332 1319820956 /nfs/dbraw/zinc/82/09/56/1319820956.db2.gz KTXAOQNHWYJVQJ-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696332 1319820962 /nfs/dbraw/zinc/82/09/62/1319820962.db2.gz KTXAOQNHWYJVQJ-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696332 1319820967 /nfs/dbraw/zinc/82/09/67/1319820967.db2.gz KTXAOQNHWYJVQJ-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093558 1323277986 /nfs/dbraw/zinc/27/79/86/1323277986.db2.gz MXXVPMVACFRWFS-APWZRJJASA-N 2 1 327.472 3.189 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024523884 1323471857 /nfs/dbraw/zinc/47/18/57/1323471857.db2.gz RLVCRQDHWMEXGU-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523884 1323471863 /nfs/dbraw/zinc/47/18/63/1323471863.db2.gz RLVCRQDHWMEXGU-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523884 1323471868 /nfs/dbraw/zinc/47/18/68/1323471868.db2.gz RLVCRQDHWMEXGU-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239635 1324032346 /nfs/dbraw/zinc/03/23/46/1324032346.db2.gz HAQRWVKRPUTVON-RTBURBONSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250275 1324050089 /nfs/dbraw/zinc/05/00/89/1324050089.db2.gz ALIHQACMSYUJFK-RTBURBONSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250275 1324050094 /nfs/dbraw/zinc/05/00/94/1324050094.db2.gz ALIHQACMSYUJFK-RTBURBONSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294358 1324124187 /nfs/dbraw/zinc/12/41/87/1324124187.db2.gz IYZGJMAWJUQCAU-RBUKOAKNSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294358 1324124195 /nfs/dbraw/zinc/12/41/95/1324124195.db2.gz IYZGJMAWJUQCAU-RBUKOAKNSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484192 1324331105 /nfs/dbraw/zinc/33/11/05/1324331105.db2.gz AJGPESVJGDZHPZ-IAGOWNOFSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586073 1324427411 /nfs/dbraw/zinc/42/74/11/1324427411.db2.gz VRPFVJSJNTYKRM-UYAOXDASSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001026299571 1324711604 /nfs/dbraw/zinc/71/16/04/1324711604.db2.gz WREWUNBWPFFRIN-QXAKKESOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969059306 1336132685 /nfs/dbraw/zinc/13/26/85/1336132685.db2.gz INGQJFDLHAYKJA-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059306 1336132690 /nfs/dbraw/zinc/13/26/90/1336132690.db2.gz INGQJFDLHAYKJA-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059306 1336132693 /nfs/dbraw/zinc/13/26/93/1336132693.db2.gz INGQJFDLHAYKJA-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017838727 1339429648 /nfs/dbraw/zinc/42/96/48/1339429648.db2.gz AMJAPYNRDFDXMU-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838727 1339429650 /nfs/dbraw/zinc/42/96/50/1339429650.db2.gz AMJAPYNRDFDXMU-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034370214 1342439186 /nfs/dbraw/zinc/43/91/86/1342439186.db2.gz XIBOGTGKJBVUHI-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034370214 1342439187 /nfs/dbraw/zinc/43/91/87/1342439187.db2.gz XIBOGTGKJBVUHI-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034370214 1342439191 /nfs/dbraw/zinc/43/91/91/1342439191.db2.gz XIBOGTGKJBVUHI-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214142 1344930154 /nfs/dbraw/zinc/93/01/54/1344930154.db2.gz NSDSZBFKWNXXLA-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214142 1344930158 /nfs/dbraw/zinc/93/01/58/1344930158.db2.gz NSDSZBFKWNXXLA-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214142 1344930163 /nfs/dbraw/zinc/93/01/63/1344930163.db2.gz NSDSZBFKWNXXLA-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040209186 1345375604 /nfs/dbraw/zinc/37/56/04/1345375604.db2.gz OKKSHRRILCYFBD-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041287537 1345694267 /nfs/dbraw/zinc/69/42/67/1345694267.db2.gz QXAIQHBJPXHMFP-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125234 1345950355 /nfs/dbraw/zinc/95/03/55/1345950355.db2.gz QHHSROGOKLLDLG-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125234 1345950356 /nfs/dbraw/zinc/95/03/56/1345950356.db2.gz QHHSROGOKLLDLG-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125234 1345950357 /nfs/dbraw/zinc/95/03/57/1345950357.db2.gz QHHSROGOKLLDLG-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441894 1346594566 /nfs/dbraw/zinc/59/45/66/1346594566.db2.gz LOLFYPCJAFOCCO-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045964619 1346799831 /nfs/dbraw/zinc/79/98/31/1346799831.db2.gz MTPMZRUHYVYXGX-TZIWHRDSSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045966433 1346801302 /nfs/dbraw/zinc/80/13/02/1346801302.db2.gz WMTQQDXUGHZJKI-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966433 1346801304 /nfs/dbraw/zinc/80/13/04/1346801304.db2.gz WMTQQDXUGHZJKI-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966433 1346801305 /nfs/dbraw/zinc/80/13/05/1346801305.db2.gz WMTQQDXUGHZJKI-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583259 1347605692 /nfs/dbraw/zinc/60/56/92/1347605692.db2.gz IGKOWUNDPPSXFT-SWBPCFCJSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049765848 1348009322 /nfs/dbraw/zinc/00/93/22/1348009322.db2.gz IGUPLQHGABPSAG-XUVXKRRUSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049765848 1348009326 /nfs/dbraw/zinc/00/93/26/1348009326.db2.gz IGUPLQHGABPSAG-XUVXKRRUSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049765848 1348009329 /nfs/dbraw/zinc/00/93/29/1348009329.db2.gz IGUPLQHGABPSAG-XUVXKRRUSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC)CC1 ZINC001052989608 1348789811 /nfs/dbraw/zinc/78/98/11/1348789811.db2.gz NIZBVPHAXNXHIE-KDURUIRLSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC)CC1 ZINC001052989608 1348789813 /nfs/dbraw/zinc/78/98/13/1348789813.db2.gz NIZBVPHAXNXHIE-KDURUIRLSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226746 1349220997 /nfs/dbraw/zinc/22/09/97/1349220997.db2.gz YBQKWRYXVQDLTH-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001054226746 1349220998 /nfs/dbraw/zinc/22/09/98/1349220998.db2.gz YBQKWRYXVQDLTH-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001054226746 1349221001 /nfs/dbraw/zinc/22/10/01/1349221001.db2.gz YBQKWRYXVQDLTH-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)c3ccn4c[nH+]cc4c3)cc2C1 ZINC001054272724 1349271982 /nfs/dbraw/zinc/27/19/82/1349271982.db2.gz ADQFBYAUYHTGQV-UHFFFAOYSA-N 2 1 346.434 3.156 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344204 1363762931 /nfs/dbraw/zinc/76/29/31/1363762931.db2.gz HSQKRXCZAKZEMD-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080755974 1357733323 /nfs/dbraw/zinc/73/33/23/1357733323.db2.gz DIKMDGLTADPHCA-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080755974 1357733333 /nfs/dbraw/zinc/73/33/33/1357733333.db2.gz DIKMDGLTADPHCA-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080755974 1357733341 /nfs/dbraw/zinc/73/33/41/1357733341.db2.gz DIKMDGLTADPHCA-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921662 1359248218 /nfs/dbraw/zinc/24/82/18/1359248218.db2.gz WBZIPJMSRMERNB-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089424506 1360418168 /nfs/dbraw/zinc/41/81/68/1360418168.db2.gz WACGWXYPWJVZLD-MRXNPFEDSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684030 1360589386 /nfs/dbraw/zinc/58/93/86/1360589386.db2.gz MSPPLXCLFQPKQT-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684030 1360589390 /nfs/dbraw/zinc/58/93/90/1360589390.db2.gz MSPPLXCLFQPKQT-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684030 1360589392 /nfs/dbraw/zinc/58/93/92/1360589392.db2.gz MSPPLXCLFQPKQT-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089706358 1360609214 /nfs/dbraw/zinc/60/92/14/1360609214.db2.gz RIJPQESOEZYPEU-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089706358 1360609217 /nfs/dbraw/zinc/60/92/17/1360609217.db2.gz RIJPQESOEZYPEU-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089706358 1360609221 /nfs/dbraw/zinc/60/92/21/1360609221.db2.gz RIJPQESOEZYPEU-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891406 1387555927 /nfs/dbraw/zinc/55/59/27/1387555927.db2.gz FYUUSDZYSUFAGS-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096176489 1362415922 /nfs/dbraw/zinc/41/59/22/1362415922.db2.gz YSRONEKYFQDDSC-AABGKKOBSA-N 2 1 341.499 3.050 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099060015 1363600404 /nfs/dbraw/zinc/60/04/04/1363600404.db2.gz UUNSYEKPJNPWNP-DYXWJJEUSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001099271019 1363725687 /nfs/dbraw/zinc/72/56/87/1363725687.db2.gz RSEBXHPZKGBBPL-ROUUACIJSA-N 2 1 337.552 3.146 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348710 1363764575 /nfs/dbraw/zinc/76/45/75/1363764575.db2.gz KZKXOOPMIYEIJZ-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348709 1363764855 /nfs/dbraw/zinc/76/48/55/1363764855.db2.gz KZKXOOPMIYEIJZ-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001101551560 1364614320 /nfs/dbraw/zinc/61/43/20/1364614320.db2.gz QBOMRAQAUBKAIX-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060551 1364828442 /nfs/dbraw/zinc/82/84/42/1364828442.db2.gz GAUBTGCNUJRCFT-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102060551 1364828444 /nfs/dbraw/zinc/82/84/44/1364828444.db2.gz GAUBTGCNUJRCFT-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102060551 1364828447 /nfs/dbraw/zinc/82/84/47/1364828447.db2.gz GAUBTGCNUJRCFT-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419445 1365046188 /nfs/dbraw/zinc/04/61/88/1365046188.db2.gz FRVXBXQGUIVDQG-KZNAEPCWSA-N 2 1 346.519 3.045 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419445 1365046191 /nfs/dbraw/zinc/04/61/91/1365046191.db2.gz FRVXBXQGUIVDQG-KZNAEPCWSA-N 2 1 346.519 3.045 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001102504590 1365090435 /nfs/dbraw/zinc/09/04/35/1365090435.db2.gz UZHIMFAOKXERAN-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001102504590 1365090439 /nfs/dbraw/zinc/09/04/39/1365090439.db2.gz UZHIMFAOKXERAN-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001102504590 1365090443 /nfs/dbraw/zinc/09/04/43/1365090443.db2.gz UZHIMFAOKXERAN-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773642 1365777456 /nfs/dbraw/zinc/77/74/56/1365777456.db2.gz JQKRLBOSQWZEPD-WOJBJXKFSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001185760485 1387791923 /nfs/dbraw/zinc/79/19/23/1387791923.db2.gz AHXKXLBUQLFREN-RBUKOAKNSA-N 2 1 337.552 3.147 20 30 EGEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105067104 1366304301 /nfs/dbraw/zinc/30/43/01/1366304301.db2.gz MTWKTFQZLPKQDM-RTBURBONSA-N 2 1 339.568 3.371 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544083 1367035692 /nfs/dbraw/zinc/03/56/92/1367035692.db2.gz LHPBCZTZUYESCY-NLWGTHIKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552985 1367039318 /nfs/dbraw/zinc/03/93/18/1367039318.db2.gz YMOBVDAMIYRNRC-WIYYLYMNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552985 1367039321 /nfs/dbraw/zinc/03/93/21/1367039321.db2.gz YMOBVDAMIYRNRC-WIYYLYMNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107552985 1367039325 /nfs/dbraw/zinc/03/93/25/1367039325.db2.gz YMOBVDAMIYRNRC-WIYYLYMNSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109307392 1367047668 /nfs/dbraw/zinc/04/76/68/1367047668.db2.gz JAESSIYADMAASU-CXQPBAHBSA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001109307392 1367047676 /nfs/dbraw/zinc/04/76/76/1367047676.db2.gz JAESSIYADMAASU-CXQPBAHBSA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109307392 1367047679 /nfs/dbraw/zinc/04/76/79/1367047679.db2.gz JAESSIYADMAASU-CXQPBAHBSA-N 2 1 349.563 3.409 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174239 1367190474 /nfs/dbraw/zinc/19/04/74/1367190474.db2.gz DOBIIUNOZUTJDT-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174239 1367190476 /nfs/dbraw/zinc/19/04/76/1367190476.db2.gz DOBIIUNOZUTJDT-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174239 1367190479 /nfs/dbraw/zinc/19/04/79/1367190479.db2.gz DOBIIUNOZUTJDT-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188685 1367555991 /nfs/dbraw/zinc/55/59/91/1367555991.db2.gz MNFSQARXUDNQBR-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020997 1368143456 /nfs/dbraw/zinc/14/34/56/1368143456.db2.gz ODXVINLZYKHBMC-MKXGPGLRSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111020997 1368143460 /nfs/dbraw/zinc/14/34/60/1368143460.db2.gz ODXVINLZYKHBMC-MKXGPGLRSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111020997 1368143462 /nfs/dbraw/zinc/14/34/62/1368143462.db2.gz ODXVINLZYKHBMC-MKXGPGLRSA-N 2 1 335.536 3.163 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785630 1368489287 /nfs/dbraw/zinc/48/92/87/1368489287.db2.gz SCUKYQWZXQSAAM-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785630 1368489290 /nfs/dbraw/zinc/48/92/90/1368489290.db2.gz SCUKYQWZXQSAAM-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785630 1368489292 /nfs/dbraw/zinc/48/92/92/1368489292.db2.gz SCUKYQWZXQSAAM-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873066 1368520067 /nfs/dbraw/zinc/52/00/67/1368520067.db2.gz IPFXDCUAEZFEPC-LQWHRVPQSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873066 1368520070 /nfs/dbraw/zinc/52/00/70/1368520070.db2.gz IPFXDCUAEZFEPC-LQWHRVPQSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111873066 1368520072 /nfs/dbraw/zinc/52/00/72/1368520072.db2.gz IPFXDCUAEZFEPC-LQWHRVPQSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018364 1368537183 /nfs/dbraw/zinc/53/71/83/1368537183.db2.gz PXGPELPGUABDLZ-INIZCTEOSA-N 2 1 349.544 3.312 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018364 1368537186 /nfs/dbraw/zinc/53/71/86/1368537186.db2.gz PXGPELPGUABDLZ-INIZCTEOSA-N 2 1 349.544 3.312 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163388 1368559973 /nfs/dbraw/zinc/55/99/73/1368559973.db2.gz NBBFUBSUIQGSME-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163388 1368559976 /nfs/dbraw/zinc/55/99/76/1368559976.db2.gz NBBFUBSUIQGSME-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163388 1368559982 /nfs/dbraw/zinc/55/99/82/1368559982.db2.gz NBBFUBSUIQGSME-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285397 1368748308 /nfs/dbraw/zinc/74/83/08/1368748308.db2.gz WBUSRRKPPZEVBD-ZJOUEHCJSA-N 2 1 349.563 3.269 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567697 1368930556 /nfs/dbraw/zinc/93/05/56/1368930556.db2.gz CROFGCOXCMGJAE-FPOVZHCZSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186604626 1387984025 /nfs/dbraw/zinc/98/40/25/1387984025.db2.gz GBICNJKNNFXPJK-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001113057049 1369171050 /nfs/dbraw/zinc/17/10/50/1369171050.db2.gz AEGHRDNHYBUIQT-IBGZPJMESA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001113057049 1369171054 /nfs/dbraw/zinc/17/10/54/1369171054.db2.gz AEGHRDNHYBUIQT-IBGZPJMESA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506848 1369382611 /nfs/dbraw/zinc/38/26/11/1369382611.db2.gz HWWLUBJLQHVMMQ-LJQANCHMSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144886 1369700450 /nfs/dbraw/zinc/70/04/50/1369700450.db2.gz MVTYIUNKSSCJIA-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203180039 1370012526 /nfs/dbraw/zinc/01/25/26/1370012526.db2.gz WXYMYYODNCIBMR-ROUUACIJSA-N 2 1 346.519 3.179 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204069034 1370366972 /nfs/dbraw/zinc/36/69/72/1370366972.db2.gz KCLCCQVVLVIEEO-GOSISDBHSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204069034 1370366976 /nfs/dbraw/zinc/36/69/76/1370366976.db2.gz KCLCCQVVLVIEEO-GOSISDBHSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536913 1370533596 /nfs/dbraw/zinc/53/35/96/1370533596.db2.gz MZBPEBHBNWMOJY-OALUTQOASA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579408 1370582918 /nfs/dbraw/zinc/58/29/18/1370582918.db2.gz MLQMQUSABWGZKE-SFHVURJKSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688071 1370670978 /nfs/dbraw/zinc/67/09/78/1370670978.db2.gz JOILWPYPVLBHHX-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594399 1370804821 /nfs/dbraw/zinc/80/48/21/1370804821.db2.gz RJXCFQXGFMMVOP-AZUAARDMSA-N 2 1 349.563 3.290 20 30 EGEDMP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CC[C@@H]1C[NH3+] ZINC001205629483 1370817126 /nfs/dbraw/zinc/81/71/26/1370817126.db2.gz ZFIITADBLYCPRG-CHWSQXEVSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@@H]1C[NH3+] ZINC001205629483 1370817134 /nfs/dbraw/zinc/81/71/34/1370817134.db2.gz ZFIITADBLYCPRG-CHWSQXEVSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006829 1370936429 /nfs/dbraw/zinc/93/64/29/1370936429.db2.gz SLUIBDYZXXUUHU-UYAOXDASSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120401503 1371562380 /nfs/dbraw/zinc/56/23/80/1371562380.db2.gz KFUDALKTGAPZQH-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208361448 1371735902 /nfs/dbraw/zinc/73/59/02/1371735902.db2.gz DUAHCIICNFMRDW-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001121341601 1371943595 /nfs/dbraw/zinc/94/35/95/1371943595.db2.gz ZGRNHETZEDOQFI-UHFFFAOYSA-N 2 1 347.547 3.233 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209233139 1372045588 /nfs/dbraw/zinc/04/55/88/1372045588.db2.gz OJNWMILQUXFGBR-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584905 1372384934 /nfs/dbraw/zinc/38/49/34/1372384934.db2.gz MKRHNPPYOUVRHZ-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444419 1372559844 /nfs/dbraw/zinc/55/98/44/1372559844.db2.gz ZDBJIQFEOWJRHM-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856181 1373131084 /nfs/dbraw/zinc/13/10/84/1373131084.db2.gz XQNUCHNQQVPEGC-VAMGGRTRSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001214999618 1373154020 /nfs/dbraw/zinc/15/40/20/1373154020.db2.gz LSCMXIBSHDVKDH-IAGOWNOFSA-N 2 1 325.541 3.124 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132105632 1375150524 /nfs/dbraw/zinc/15/05/24/1375150524.db2.gz KKRYCIVZZWPQAV-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132105632 1375150529 /nfs/dbraw/zinc/15/05/29/1375150529.db2.gz KKRYCIVZZWPQAV-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132105632 1375150531 /nfs/dbraw/zinc/15/05/31/1375150531.db2.gz KKRYCIVZZWPQAV-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105508 1375150793 /nfs/dbraw/zinc/15/07/93/1375150793.db2.gz ILRVUZHOZCJCSD-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140832 1375167508 /nfs/dbraw/zinc/16/75/08/1375167508.db2.gz LIZJYRJSKBYMHA-IRXDYDNUSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140832 1375167509 /nfs/dbraw/zinc/16/75/09/1375167509.db2.gz LIZJYRJSKBYMHA-IRXDYDNUSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140832 1375167511 /nfs/dbraw/zinc/16/75/11/1375167511.db2.gz LIZJYRJSKBYMHA-IRXDYDNUSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202183 1375205750 /nfs/dbraw/zinc/20/57/50/1375205750.db2.gz DLCPDWXMYJGNAD-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132203289 1375206883 /nfs/dbraw/zinc/20/68/83/1375206883.db2.gz NUCWWRMJYQZVGG-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132440727 1375385126 /nfs/dbraw/zinc/38/51/26/1375385126.db2.gz FDANSWUGJCDOOO-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132440727 1375385128 /nfs/dbraw/zinc/38/51/28/1375385128.db2.gz FDANSWUGJCDOOO-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132440727 1375385131 /nfs/dbraw/zinc/38/51/31/1375385131.db2.gz FDANSWUGJCDOOO-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001132513253 1375433815 /nfs/dbraw/zinc/43/38/15/1375433815.db2.gz QNFBNDQQVZOZJB-PKOBYXMFSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132941269 1375660472 /nfs/dbraw/zinc/66/04/72/1375660472.db2.gz JBTRSYNFHVPSKJ-ZWKOTPCHSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147237 1375807746 /nfs/dbraw/zinc/80/77/46/1375807746.db2.gz QQJLGXUMAGAUPF-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133166533 1375819551 /nfs/dbraw/zinc/81/95/51/1375819551.db2.gz UZYMGEHVTAESQB-MJGOQNOKSA-N 2 1 346.519 3.012 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@H](C3C[NH2+]C3)C2)cc1 ZINC001235339088 1376868969 /nfs/dbraw/zinc/86/89/69/1376868969.db2.gz CQUZSFQEAHQZDZ-IBGZPJMESA-N 2 1 346.478 3.367 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135626985 1377167995 /nfs/dbraw/zinc/16/79/95/1377167995.db2.gz WCZWZNQUGXDVAX-GJZGRUSLSA-N 2 1 340.899 3.022 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140801730 1378140684 /nfs/dbraw/zinc/14/06/84/1378140684.db2.gz YGZJPXUVJHVYSK-HXUWFJFHSA-N 2 1 338.455 3.096 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801730 1378140687 /nfs/dbraw/zinc/14/06/87/1378140687.db2.gz YGZJPXUVJHVYSK-HXUWFJFHSA-N 2 1 338.455 3.096 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801730 1378140690 /nfs/dbraw/zinc/14/06/90/1378140690.db2.gz YGZJPXUVJHVYSK-HXUWFJFHSA-N 2 1 338.455 3.096 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144169650 1378692163 /nfs/dbraw/zinc/69/21/63/1378692163.db2.gz QEXXKBFJLGAFPB-LEWJYISDSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144169650 1378692168 /nfs/dbraw/zinc/69/21/68/1378692168.db2.gz QEXXKBFJLGAFPB-LEWJYISDSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144169650 1378692171 /nfs/dbraw/zinc/69/21/71/1378692171.db2.gz QEXXKBFJLGAFPB-LEWJYISDSA-N 2 1 346.478 3.297 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658433 1379056645 /nfs/dbraw/zinc/05/66/45/1379056645.db2.gz SMRDDGVHYVXCFD-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658433 1379056647 /nfs/dbraw/zinc/05/66/47/1379056647.db2.gz SMRDDGVHYVXCFD-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658433 1379056650 /nfs/dbraw/zinc/05/66/50/1379056650.db2.gz SMRDDGVHYVXCFD-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677670 1380113870 /nfs/dbraw/zinc/11/38/70/1380113870.db2.gz MNZFBLFHVNAPGA-OAHLLOKOSA-N 2 1 337.533 3.216 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156341197 1380561530 /nfs/dbraw/zinc/56/15/30/1380561530.db2.gz AEJNNUFLVBRLJT-WIYYLYMNSA-N 2 1 345.531 3.256 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001158059435 1381116217 /nfs/dbraw/zinc/11/62/17/1381116217.db2.gz ATVJCRNNLZTTGZ-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158059435 1381116222 /nfs/dbraw/zinc/11/62/22/1381116222.db2.gz ATVJCRNNLZTTGZ-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158059435 1381116224 /nfs/dbraw/zinc/11/62/24/1381116224.db2.gz ATVJCRNNLZTTGZ-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP Cc1ccc(CC#N)c(N(Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]1 ZINC001158166159 1381147294 /nfs/dbraw/zinc/14/72/94/1381147294.db2.gz BIPJIWUHKSWKSS-WGSAOQKQSA-N 2 1 335.455 3.128 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289986 1381186294 /nfs/dbraw/zinc/18/62/94/1381186294.db2.gz RDXDUYTYADUNAY-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160788125 1382196828 /nfs/dbraw/zinc/19/68/28/1382196828.db2.gz YUSLQLPFTZVTCA-UHFFFAOYSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161472647 1382418311 /nfs/dbraw/zinc/41/83/11/1382418311.db2.gz ZCGBTZXCOHYCAA-UHFFFAOYSA-N 2 1 341.499 3.076 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166389285 1383417998 /nfs/dbraw/zinc/41/79/98/1383417998.db2.gz DKRFZVALNLRXKG-UHFFFAOYSA-N 2 1 349.563 3.483 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167733144 1383725525 /nfs/dbraw/zinc/72/55/25/1383725525.db2.gz VOJILPMFKAXXOI-GOSISDBHSA-N 2 1 337.552 3.175 20 30 EGEDMP C[C@@H]1CC(NC(=[NH2+])c2ccc(F)cn2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168012575 1383797244 /nfs/dbraw/zinc/79/72/44/1383797244.db2.gz CHLYLOWRQOKSDJ-MVVMVCHASA-N 2 1 340.446 3.368 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144603 1384113743 /nfs/dbraw/zinc/11/37/43/1384113743.db2.gz KKKWEZOKJAJREN-AJYBTWMASA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144603 1384113745 /nfs/dbraw/zinc/11/37/45/1384113745.db2.gz KKKWEZOKJAJREN-AJYBTWMASA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144603 1384113747 /nfs/dbraw/zinc/11/37/47/1384113747.db2.gz KKKWEZOKJAJREN-AJYBTWMASA-N 2 1 325.456 3.027 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170878028 1384403346 /nfs/dbraw/zinc/40/33/46/1384403346.db2.gz JWULFSHQVAHGOD-DLBZAZTESA-N 2 1 334.508 3.237 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171585661 1384572517 /nfs/dbraw/zinc/57/25/17/1384572517.db2.gz ADFATMSXYDTUPD-IAGOWNOFSA-N 2 1 325.541 3.336 20 30 EGEDMP CC1(C)C[C@H]([NH2+]Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171975137 1384700290 /nfs/dbraw/zinc/70/02/90/1384700290.db2.gz LDEYZHAPWWNTSQ-HXUWFJFHSA-N 2 1 334.467 3.486 20 30 EGEDMP CC1(C)C[C@H]([NH2+]Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171975137 1384700292 /nfs/dbraw/zinc/70/02/92/1384700292.db2.gz LDEYZHAPWWNTSQ-HXUWFJFHSA-N 2 1 334.467 3.486 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174880826 1385164081 /nfs/dbraw/zinc/16/40/81/1385164081.db2.gz HRPJJHIDKXXWDF-SJORKVTESA-N 2 1 343.943 3.126 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175571768 1385335724 /nfs/dbraw/zinc/33/57/24/1385335724.db2.gz FRFSNIJMVCAQIQ-RTBURBONSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820544 1385713106 /nfs/dbraw/zinc/71/31/06/1385713106.db2.gz PZMOCQMHIHHBSV-LJQANCHMSA-N 2 1 345.531 3.349 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820544 1385713111 /nfs/dbraw/zinc/71/31/11/1385713111.db2.gz PZMOCQMHIHHBSV-LJQANCHMSA-N 2 1 345.531 3.349 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177267576 1385890919 /nfs/dbraw/zinc/89/09/19/1385890919.db2.gz SOTPOMKRSPWVKK-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001177335658 1385917984 /nfs/dbraw/zinc/91/79/84/1385917984.db2.gz JDVBSHHEXWYBAQ-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001177433579 1385955505 /nfs/dbraw/zinc/95/55/05/1385955505.db2.gz IJBSPRANMHQWEA-UHFFFAOYSA-N 2 1 346.519 3.191 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CCC ZINC001177466745 1385966291 /nfs/dbraw/zinc/96/62/91/1385966291.db2.gz DTKWWBRYMWHGGC-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707476 1386285208 /nfs/dbraw/zinc/28/52/08/1386285208.db2.gz HMRCPGYKUONFEX-NSHGMRRFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811367 1386314362 /nfs/dbraw/zinc/31/43/62/1386314362.db2.gz SQVWTDSMYRAHDF-RTBURBONSA-N 2 1 335.536 3.236 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926543 1386351566 /nfs/dbraw/zinc/35/15/66/1386351566.db2.gz YSUGSQCYZXYBHY-OTWHNJEPSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001179357831 1386461864 /nfs/dbraw/zinc/46/18/64/1386461864.db2.gz MKOHHRXGAOYFOD-IBGZPJMESA-N 2 1 337.552 3.341 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001180375409 1386778832 /nfs/dbraw/zinc/77/88/32/1386778832.db2.gz CVZDANJLWSSDNH-IBGZPJMESA-N 2 1 331.504 3.132 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001690135874 1404332883 /nfs/dbraw/zinc/33/28/83/1404332883.db2.gz WNZCFPOZWBQQLK-PKOBYXMFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001752824779 1440222927 /nfs/dbraw/zinc/22/29/27/1440222927.db2.gz DEIIMAURBBEBLB-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001754542725 1440626357 /nfs/dbraw/zinc/62/63/57/1440626357.db2.gz BISSLPSAMLQGCC-QRVBRYPASA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001754547893 1440628595 /nfs/dbraw/zinc/62/85/95/1440628595.db2.gz VLFJVGODTJBIRQ-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001754547893 1440628596 /nfs/dbraw/zinc/62/85/96/1440628596.db2.gz VLFJVGODTJBIRQ-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001754547893 1440628597 /nfs/dbraw/zinc/62/85/97/1440628597.db2.gz VLFJVGODTJBIRQ-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001754626422 1440646499 /nfs/dbraw/zinc/64/64/99/1440646499.db2.gz BSYFVCYNXBZKPW-OKZBNKHCSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754731512 1440679582 /nfs/dbraw/zinc/67/95/82/1440679582.db2.gz UDRHNJLGRMMZRJ-HXUWFJFHSA-N 2 1 346.519 3.191 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754731512 1440679583 /nfs/dbraw/zinc/67/95/83/1440679583.db2.gz UDRHNJLGRMMZRJ-HXUWFJFHSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001754953271 1440715646 /nfs/dbraw/zinc/71/56/46/1440715646.db2.gz XPDBEGOALCNIRT-BJLQDIEVSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001755047162 1440741848 /nfs/dbraw/zinc/74/18/48/1440741848.db2.gz LORVUWZXMIZMIX-BGYRXZFFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001755076610 1440749024 /nfs/dbraw/zinc/74/90/24/1440749024.db2.gz FKJDYHHKZSAZIE-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001755076610 1440749025 /nfs/dbraw/zinc/74/90/25/1440749025.db2.gz FKJDYHHKZSAZIE-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001755076610 1440749026 /nfs/dbraw/zinc/74/90/26/1440749026.db2.gz FKJDYHHKZSAZIE-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000181541572 234224791 /nfs/dbraw/zinc/22/47/91/234224791.db2.gz KLPOXWAUVNTBLW-GOSISDBHSA-N 2 1 348.494 3.156 20 30 EGEDMP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268714356 252164494 /nfs/dbraw/zinc/16/44/94/252164494.db2.gz ULYOSVAAETZAJE-IFMALSPDSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268714356 252164495 /nfs/dbraw/zinc/16/44/95/252164495.db2.gz ULYOSVAAETZAJE-IFMALSPDSA-N 2 1 349.478 3.046 20 30 EGEDMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268714356 252164498 /nfs/dbraw/zinc/16/44/98/252164498.db2.gz ULYOSVAAETZAJE-IFMALSPDSA-N 2 1 349.478 3.046 20 30 EGEDMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268714356 252164499 /nfs/dbraw/zinc/16/44/99/252164499.db2.gz ULYOSVAAETZAJE-IFMALSPDSA-N 2 1 349.478 3.046 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000179678210 533311907 /nfs/dbraw/zinc/31/19/07/533311907.db2.gz RDZJCUSNKCIQGG-UHFFFAOYSA-N 2 1 329.488 3.129 20 30 EGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000249092027 308018714 /nfs/dbraw/zinc/01/87/14/308018714.db2.gz DNVAGEARSJKLMP-GUDVDZBRSA-N 2 1 340.515 3.110 20 30 EGEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C#N)c3)c2)CCO1 ZINC000063524327 454421559 /nfs/dbraw/zinc/42/15/59/454421559.db2.gz MXIOSFAKRIJSIQ-KRWDZBQOSA-N 2 1 335.451 3.069 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C#N)c3)c2)CCO1 ZINC000063524327 454421564 /nfs/dbraw/zinc/42/15/64/454421564.db2.gz MXIOSFAKRIJSIQ-KRWDZBQOSA-N 2 1 335.451 3.069 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(OC)c2)CC1 ZINC000153015845 454752547 /nfs/dbraw/zinc/75/25/47/454752547.db2.gz RGLKAFFOWDREAF-MRXNPFEDSA-N 2 1 345.487 3.042 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000170911267 454998907 /nfs/dbraw/zinc/99/89/07/454998907.db2.gz SVZWXKCJIREASJ-INIZCTEOSA-N 2 1 337.471 3.383 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000180039868 455120908 /nfs/dbraw/zinc/12/09/08/455120908.db2.gz UFBOBSOXDZPWMR-UHFFFAOYSA-N 2 1 335.517 3.190 20 30 EGEDMP C[N@@H+](CCN1CC[NH+](CCCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000174847260 455416063 /nfs/dbraw/zinc/41/60/63/455416063.db2.gz QHTREFJWPQAJNC-UHFFFAOYSA-N 2 1 342.531 3.066 20 30 EGEDMP Cc1ccc([C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[NH+]2CCCC2)o1 ZINC000262330704 456025825 /nfs/dbraw/zinc/02/58/25/456025825.db2.gz XYTLAOQUEIXRRB-MRXNPFEDSA-N 2 1 348.397 3.430 20 30 EGEDMP C=CCN1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272700882 456044095 /nfs/dbraw/zinc/04/40/95/456044095.db2.gz YOXNPDGKLOUXLL-AZUAARDMSA-N 2 1 327.516 3.137 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280892276 456073164 /nfs/dbraw/zinc/07/31/64/456073164.db2.gz QGTVXBZVVLYPSD-KCLUMXDGSA-N 2 1 328.500 3.468 20 30 EGEDMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1C#N ZINC000340394600 456436141 /nfs/dbraw/zinc/43/61/41/456436141.db2.gz KDWSRDXRBZRCNA-UXHICEINSA-N 2 1 335.451 3.492 20 30 EGEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1C#N ZINC000340394600 456436147 /nfs/dbraw/zinc/43/61/47/456436147.db2.gz KDWSRDXRBZRCNA-UXHICEINSA-N 2 1 335.451 3.492 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)C2 ZINC000329812426 456943980 /nfs/dbraw/zinc/94/39/80/456943980.db2.gz DCZUPRJIYYEXEY-INIZCTEOSA-N 2 1 332.492 3.365 20 30 EGEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133357 458013413 /nfs/dbraw/zinc/01/34/13/458013413.db2.gz IUAAJHIXWVFONT-UYAOXDASSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133357 458013421 /nfs/dbraw/zinc/01/34/21/458013421.db2.gz IUAAJHIXWVFONT-UYAOXDASSA-N 2 1 327.472 3.285 20 30 EGEDMP N#CCCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000424337040 458619734 /nfs/dbraw/zinc/61/97/34/458619734.db2.gz KMHQSPOBQAXXGK-KRWDZBQOSA-N 2 1 339.443 3.416 20 30 EGEDMP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000439080518 458650264 /nfs/dbraw/zinc/65/02/64/458650264.db2.gz YGTMWJVIQRDXLY-OAQYLSRUSA-N 2 1 327.516 3.268 20 30 EGEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598721552 460006028 /nfs/dbraw/zinc/00/60/28/460006028.db2.gz VJLQNVOGWGVXPB-VQIMIIECSA-N 2 1 329.488 3.102 20 30 EGEDMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602587174 460012555 /nfs/dbraw/zinc/01/25/55/460012555.db2.gz XTCFVCWCGJTMBA-UHFFFAOYSA-N 2 1 334.467 3.475 20 30 EGEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109502 460244611 /nfs/dbraw/zinc/24/46/11/460244611.db2.gz CKEHYADWDNFRRH-QGZVFWFLSA-N 2 1 342.487 3.083 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000657352229 462066051 /nfs/dbraw/zinc/06/60/51/462066051.db2.gz GCPQHZYCDSTPEP-KRWDZBQOSA-N 2 1 332.488 3.230 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000152983594 526604229 /nfs/dbraw/zinc/60/42/29/526604229.db2.gz YTXSLSOEHOJOQG-MRXNPFEDSA-N 2 1 330.472 3.367 20 30 EGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCCOc2ccc(C#N)cc2)CC1 ZINC000728571356 574759258 /nfs/dbraw/zinc/75/92/58/574759258.db2.gz CBPKETBPCRCFPV-UHFFFAOYSA-N 2 1 329.488 3.379 20 30 EGEDMP C[NH+]=C(NCC1CCC1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984207 1292678508 /nfs/dbraw/zinc/67/85/08/1292678508.db2.gz BQEIXBQSUJYEIK-RDJZCZTQSA-N 2 1 334.533 3.096 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000127277149 1293558077 /nfs/dbraw/zinc/55/80/77/1293558077.db2.gz INLQAVRQOGODBG-QGZVFWFLSA-N 2 1 330.472 3.224 20 30 EGEDMP CC1CC[NH+]([C@H](CNC(=[NH2+])N2CCCCC2)c2cccs2)CC1 ZINC000303779638 1296853504 /nfs/dbraw/zinc/85/35/04/1296853504.db2.gz KSRCVDIGZKNYEH-MRXNPFEDSA-N 2 1 334.533 3.322 20 30 EGEDMP COc1ccc([C@H](CNC(=[NH2+])NCCC(C)C)[NH+]2CCCCC2)cc1 ZINC000303788854 1296854063 /nfs/dbraw/zinc/85/40/63/1296854063.db2.gz UVIIWSNQGRPCFQ-IBGZPJMESA-N 2 1 346.519 3.173 20 30 EGEDMP COc1cccc(NC(=[NH2+])NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000303893568 1296871582 /nfs/dbraw/zinc/87/15/82/1296871582.db2.gz OGMSKAXOTXIRGF-IYBDPMFKSA-N 2 1 332.492 3.180 20 30 EGEDMP C[C@H]1CCC[N@@H+](CCCC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303899811 1296874825 /nfs/dbraw/zinc/87/48/25/1296874825.db2.gz RTRVWZFSZCAYEF-SFHVURJKSA-N 2 1 330.520 3.206 20 30 EGEDMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304741872 1296939072 /nfs/dbraw/zinc/93/90/72/1296939072.db2.gz CIUWSQMMWSFHEL-UHFFFAOYSA-N 2 1 332.370 3.044 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000392777193 1297659996 /nfs/dbraw/zinc/65/99/96/1297659996.db2.gz WUPKICLGGZWSTP-ZDUSSCGKSA-N 2 1 339.277 3.063 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000392777193 1297660005 /nfs/dbraw/zinc/66/00/05/1297660005.db2.gz WUPKICLGGZWSTP-ZDUSSCGKSA-N 2 1 339.277 3.063 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886668397 1303547735 /nfs/dbraw/zinc/54/77/35/1303547735.db2.gz RVIAYPXRVLAWRT-INIZCTEOSA-N 2 1 332.492 3.019 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555400 1317452155 /nfs/dbraw/zinc/45/21/55/1317452155.db2.gz AIGNXXOTMLVXGV-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555433 1317452761 /nfs/dbraw/zinc/45/27/61/1317452761.db2.gz CKRFFWFWGGBLFI-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000902803260 1317618349 /nfs/dbraw/zinc/61/83/49/1317618349.db2.gz UORFDUXJVJZONS-VQTJNVASSA-N 2 1 327.472 3.242 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819023345 1319616010 /nfs/dbraw/zinc/61/60/10/1319616010.db2.gz FWALHUCUASRYAF-QGZVFWFLSA-N 2 1 326.843 3.143 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696469 1319820762 /nfs/dbraw/zinc/82/07/62/1319820762.db2.gz NUQALFUYULWQKH-VQTJNVASSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696469 1319820772 /nfs/dbraw/zinc/82/07/72/1319820772.db2.gz NUQALFUYULWQKH-VQTJNVASSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696469 1319820780 /nfs/dbraw/zinc/82/07/80/1319820780.db2.gz NUQALFUYULWQKH-VQTJNVASSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000924986263 1323236292 /nfs/dbraw/zinc/23/62/92/1323236292.db2.gz LJIJBHCGEPMGJH-UHFFFAOYSA-N 2 1 343.515 3.213 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618412 1323547324 /nfs/dbraw/zinc/54/73/24/1323547324.db2.gz UHKVJFNVHDSAMA-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618412 1323547329 /nfs/dbraw/zinc/54/73/29/1323547329.db2.gz UHKVJFNVHDSAMA-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618412 1323547332 /nfs/dbraw/zinc/54/73/32/1323547332.db2.gz UHKVJFNVHDSAMA-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231145 1324017298 /nfs/dbraw/zinc/01/72/98/1324017298.db2.gz GNYVEIFETYGJHM-MOPGFXCFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246358 1324046118 /nfs/dbraw/zinc/04/61/18/1324046118.db2.gz CXDXMHJAMXEPSE-OALUTQOASA-N 2 1 345.531 3.036 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247775 1324047568 /nfs/dbraw/zinc/04/75/68/1324047568.db2.gz QBMQWRVVEGLYEP-MOPGFXCFSA-N 2 1 345.531 3.036 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025257658 1324065116 /nfs/dbraw/zinc/06/51/16/1324065116.db2.gz FQUDRQNPUGLJBH-OALUTQOASA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279581 1324102106 /nfs/dbraw/zinc/10/21/06/1324102106.db2.gz DTARIDSATZLDOJ-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461067 1324305619 /nfs/dbraw/zinc/30/56/19/1324305619.db2.gz ORBCHHBXBLGITI-NVXWUHKLSA-N 2 1 340.471 3.049 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559229 1324407107 /nfs/dbraw/zinc/40/71/07/1324407107.db2.gz SDFWHGHIDPZPFK-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853239397 1325069920 /nfs/dbraw/zinc/06/99/20/1325069920.db2.gz GPROBTPIMAITKM-MJGOQNOKSA-N 2 1 326.484 3.471 20 30 EGEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027615120 1327977573 /nfs/dbraw/zinc/97/75/73/1327977573.db2.gz NUEHZUSLWSHOGI-SFHVURJKSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027615120 1327977581 /nfs/dbraw/zinc/97/75/81/1327977581.db2.gz NUEHZUSLWSHOGI-SFHVURJKSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C[C@@H](CC)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000934280464 1329961566 /nfs/dbraw/zinc/96/15/66/1329961566.db2.gz CITCLDWCNXZQBN-SFHVURJKSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799737 1333265591 /nfs/dbraw/zinc/26/55/91/1333265591.db2.gz CIXREMZJUOOBOA-YLJYHZDGSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056950 1333358602 /nfs/dbraw/zinc/35/86/02/1333358602.db2.gz OOZMSYXUESLCSS-FXAWDEMLSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439399 1333525445 /nfs/dbraw/zinc/52/54/45/1333525445.db2.gz OROAAHKNYAJALY-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439399 1333525447 /nfs/dbraw/zinc/52/54/47/1333525447.db2.gz OROAAHKNYAJALY-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439399 1333525450 /nfs/dbraw/zinc/52/54/50/1333525450.db2.gz OROAAHKNYAJALY-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326022 1336294714 /nfs/dbraw/zinc/29/47/14/1336294714.db2.gz MDBGUMBDBDBLKQ-FXAWDEMLSA-N 2 1 347.547 3.186 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1C[NH3+] ZINC001205629486 1370817550 /nfs/dbraw/zinc/81/75/50/1370817550.db2.gz ZFIITADBLYCPRG-STQMWFEESA-N 2 1 336.277 3.128 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229482 1342333640 /nfs/dbraw/zinc/33/36/40/1342333640.db2.gz RFBIZBYSDKCNRF-KRWDZBQOSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229482 1342333643 /nfs/dbraw/zinc/33/36/43/1342333643.db2.gz RFBIZBYSDKCNRF-KRWDZBQOSA-N 2 1 349.544 3.360 20 30 EGEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035736624 1343161874 /nfs/dbraw/zinc/16/18/74/1343161874.db2.gz IBUAVTFABQBZID-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001036096728 1343312098 /nfs/dbraw/zinc/31/20/98/1343312098.db2.gz PQJYVXLFPNZGRZ-WMZOPIPTSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207721 1345376191 /nfs/dbraw/zinc/37/61/91/1345376191.db2.gz GYRLUADTMLBOKB-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945181 1346780709 /nfs/dbraw/zinc/78/07/09/1346780709.db2.gz NXVMXYBDSRCSDF-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945181 1346780710 /nfs/dbraw/zinc/78/07/10/1346780710.db2.gz NXVMXYBDSRCSDF-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945181 1346780719 /nfs/dbraw/zinc/78/07/19/1346780719.db2.gz NXVMXYBDSRCSDF-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132518966 1375436639 /nfs/dbraw/zinc/43/66/39/1375436639.db2.gz QQTWNSMSHJISDI-ROUUACIJSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132518966 1375436640 /nfs/dbraw/zinc/43/66/40/1375436640.db2.gz QQTWNSMSHJISDI-ROUUACIJSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132518966 1375436641 /nfs/dbraw/zinc/43/66/41/1375436641.db2.gz QQTWNSMSHJISDI-ROUUACIJSA-N 2 1 325.541 3.266 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913519 1348108843 /nfs/dbraw/zinc/10/88/43/1348108843.db2.gz ZFDIYKBPBLBMLS-WOJBJXKFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052650994 1348613283 /nfs/dbraw/zinc/61/32/83/1348613283.db2.gz CCVOTHYQXZTSQO-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052650994 1348613284 /nfs/dbraw/zinc/61/32/84/1348613284.db2.gz CCVOTHYQXZTSQO-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052650994 1348613287 /nfs/dbraw/zinc/61/32/87/1348613287.db2.gz CCVOTHYQXZTSQO-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)c3ccn4c[nH+]cc4c3)cc2C1 ZINC001054273110 1349273062 /nfs/dbraw/zinc/27/30/62/1349273062.db2.gz UWFCLXWFCSBXAD-UHFFFAOYSA-N 2 1 346.434 3.156 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC001054274010 1349273712 /nfs/dbraw/zinc/27/37/12/1349273712.db2.gz MHCUNEQSOFBETP-UHFFFAOYSA-N 2 1 346.434 3.156 20 30 EGEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001183082449 1387259609 /nfs/dbraw/zinc/25/96/09/1387259609.db2.gz VYAURNNUMILWPX-UYAOXDASSA-N 2 1 339.568 3.373 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199528 1358432390 /nfs/dbraw/zinc/43/23/90/1358432390.db2.gz QGAGERPQMGZEJN-MISYRCLQSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089405422 1360404133 /nfs/dbraw/zinc/40/41/33/1360404133.db2.gz BTTFWXMBJGBMIN-HKUYNNGSSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089405422 1360404134 /nfs/dbraw/zinc/40/41/34/1360404134.db2.gz BTTFWXMBJGBMIN-HKUYNNGSSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089405422 1360404135 /nfs/dbraw/zinc/40/41/35/1360404135.db2.gz BTTFWXMBJGBMIN-HKUYNNGSSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639537 1360553295 /nfs/dbraw/zinc/55/32/95/1360553295.db2.gz XGHZUIZSVSUUMA-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639537 1360553298 /nfs/dbraw/zinc/55/32/98/1360553298.db2.gz XGHZUIZSVSUUMA-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639537 1360553301 /nfs/dbraw/zinc/55/33/01/1360553301.db2.gz XGHZUIZSVSUUMA-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089650142 1360563800 /nfs/dbraw/zinc/56/38/00/1360563800.db2.gz VQAPFPDPXPHRKW-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089650142 1360563803 /nfs/dbraw/zinc/56/38/03/1360563803.db2.gz VQAPFPDPXPHRKW-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089650142 1360563805 /nfs/dbraw/zinc/56/38/05/1360563805.db2.gz VQAPFPDPXPHRKW-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684029 1360589885 /nfs/dbraw/zinc/58/98/85/1360589885.db2.gz MSPPLXCLFQPKQT-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684029 1360589886 /nfs/dbraw/zinc/58/98/86/1360589886.db2.gz MSPPLXCLFQPKQT-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684029 1360589888 /nfs/dbraw/zinc/58/98/88/1360589888.db2.gz MSPPLXCLFQPKQT-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907622 1361484235 /nfs/dbraw/zinc/48/42/35/1361484235.db2.gz VGCHEBDIZQVWBA-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907622 1361484237 /nfs/dbraw/zinc/48/42/37/1361484237.db2.gz VGCHEBDIZQVWBA-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907622 1361484238 /nfs/dbraw/zinc/48/42/38/1361484238.db2.gz VGCHEBDIZQVWBA-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001098482772 1363339195 /nfs/dbraw/zinc/33/91/95/1363339195.db2.gz BANLKPCSLGADSZ-NXHRZFHOSA-N 2 1 345.487 3.033 20 30 EGEDMP C=CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098976059 1363550711 /nfs/dbraw/zinc/55/07/11/1363550711.db2.gz PYWJJMHGTWEFLM-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976059 1363550715 /nfs/dbraw/zinc/55/07/15/1363550715.db2.gz PYWJJMHGTWEFLM-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976059 1363550717 /nfs/dbraw/zinc/55/07/17/1363550717.db2.gz PYWJJMHGTWEFLM-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069650 1363605421 /nfs/dbraw/zinc/60/54/21/1363605421.db2.gz KOHZCKVCGHNZJD-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001099080122 1363611930 /nfs/dbraw/zinc/61/19/30/1363611930.db2.gz MOVKKUUWNAPQHU-IAGOWNOFSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001099080122 1363611931 /nfs/dbraw/zinc/61/19/31/1363611931.db2.gz MOVKKUUWNAPQHU-IAGOWNOFSA-N 2 1 346.519 3.189 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101444078 1364567568 /nfs/dbraw/zinc/56/75/68/1364567568.db2.gz YBBSBMQYQWFFBQ-QUCCMNQESA-N 2 1 337.552 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101444078 1364567572 /nfs/dbraw/zinc/56/75/72/1364567572.db2.gz YBBSBMQYQWFFBQ-QUCCMNQESA-N 2 1 337.552 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101444078 1364567573 /nfs/dbraw/zinc/56/75/73/1364567573.db2.gz YBBSBMQYQWFFBQ-QUCCMNQESA-N 2 1 337.552 3.079 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001101582173 1364634551 /nfs/dbraw/zinc/63/45/51/1364634551.db2.gz BXLFHHXBAOYPSQ-RBUKOAKNSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102119197 1364869855 /nfs/dbraw/zinc/86/98/55/1364869855.db2.gz ABZGCJKJFDTAKK-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434274 1365052398 /nfs/dbraw/zinc/05/23/98/1365052398.db2.gz XQTMAQWVKJYNAI-UYAOXDASSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102493796 1365086164 /nfs/dbraw/zinc/08/61/64/1365086164.db2.gz IPSVDMKGOARUCG-QWFCFKBJSA-N 2 1 349.563 3.146 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524802 1365098888 /nfs/dbraw/zinc/09/88/88/1365098888.db2.gz XEEVTJYYAFYOLC-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524802 1365098891 /nfs/dbraw/zinc/09/88/91/1365098891.db2.gz XEEVTJYYAFYOLC-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524802 1365098902 /nfs/dbraw/zinc/09/89/02/1365098902.db2.gz XEEVTJYYAFYOLC-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085400 1365372735 /nfs/dbraw/zinc/37/27/35/1365372735.db2.gz UBKOSFUKDZSLEF-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085400 1365372740 /nfs/dbraw/zinc/37/27/40/1365372740.db2.gz UBKOSFUKDZSLEF-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085400 1365372746 /nfs/dbraw/zinc/37/27/46/1365372746.db2.gz UBKOSFUKDZSLEF-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662546 1365711053 /nfs/dbraw/zinc/71/10/53/1365711053.db2.gz AMMZYTOBNJSZAV-GUDVDZBRSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662546 1365711057 /nfs/dbraw/zinc/71/10/57/1365711057.db2.gz AMMZYTOBNJSZAV-GUDVDZBRSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662546 1365711060 /nfs/dbraw/zinc/71/10/60/1365711060.db2.gz AMMZYTOBNJSZAV-GUDVDZBRSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751532 1365764054 /nfs/dbraw/zinc/76/40/54/1365764054.db2.gz DXBYABZWPHYUOX-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290541 1365977168 /nfs/dbraw/zinc/97/71/68/1365977168.db2.gz BUGQMGKOEMYQFA-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291606 1365977647 /nfs/dbraw/zinc/97/76/47/1365977647.db2.gz PXUAAGMRICYWDX-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104753224 1366157182 /nfs/dbraw/zinc/15/71/82/1366157182.db2.gz XOHFXCSQOSMZLV-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932950 1366229438 /nfs/dbraw/zinc/22/94/38/1366229438.db2.gz WZQKISZNYXPYHK-GUDVDZBRSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518294 1366505574 /nfs/dbraw/zinc/50/55/74/1366505574.db2.gz WELJDJSSCLWOGQ-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106150942 1366614546 /nfs/dbraw/zinc/61/45/46/1366614546.db2.gz IMMZJUICYOIYLQ-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479494 1366707911 /nfs/dbraw/zinc/70/79/11/1366707911.db2.gz CJTUULVLEWBRAJ-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107436254 1366962955 /nfs/dbraw/zinc/96/29/55/1366962955.db2.gz SNAJUZMBMOIPFC-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436254 1366962957 /nfs/dbraw/zinc/96/29/57/1366962957.db2.gz SNAJUZMBMOIPFC-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436254 1366962959 /nfs/dbraw/zinc/96/29/59/1366962959.db2.gz SNAJUZMBMOIPFC-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107436255 1366963177 /nfs/dbraw/zinc/96/31/77/1366963177.db2.gz SNAJUZMBMOIPFC-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436255 1366963180 /nfs/dbraw/zinc/96/31/80/1366963180.db2.gz SNAJUZMBMOIPFC-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107436255 1366963182 /nfs/dbraw/zinc/96/31/82/1366963182.db2.gz SNAJUZMBMOIPFC-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530809 1367022721 /nfs/dbraw/zinc/02/27/21/1367022721.db2.gz MYBHIYUUPXWCBU-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191082191 1367420114 /nfs/dbraw/zinc/42/01/14/1367420114.db2.gz VJHZIJSJFYEQOH-CRAIPNDOSA-N 2 1 340.471 3.144 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423556 1368026039 /nfs/dbraw/zinc/02/60/39/1368026039.db2.gz CKRDOWJUTZOSRW-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423556 1368026041 /nfs/dbraw/zinc/02/60/41/1368026041.db2.gz CKRDOWJUTZOSRW-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423556 1368026045 /nfs/dbraw/zinc/02/60/45/1368026045.db2.gz CKRDOWJUTZOSRW-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424673 1368026744 /nfs/dbraw/zinc/02/67/44/1368026744.db2.gz OTEFMUGPLWXAMK-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424673 1368026747 /nfs/dbraw/zinc/02/67/47/1368026747.db2.gz OTEFMUGPLWXAMK-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424673 1368026753 /nfs/dbraw/zinc/02/67/53/1368026753.db2.gz OTEFMUGPLWXAMK-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246005 1368216320 /nfs/dbraw/zinc/21/63/20/1368216320.db2.gz IROFOXOYIHRRHN-PKOBYXMFSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454375 1368310547 /nfs/dbraw/zinc/31/05/47/1368310547.db2.gz YLKRJTVRRJDKNP-AQNXPRMDSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111870813 1368518275 /nfs/dbraw/zinc/51/82/75/1368518275.db2.gz OLBPZQDVAUFVIP-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870813 1368518280 /nfs/dbraw/zinc/51/82/80/1368518280.db2.gz OLBPZQDVAUFVIP-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870813 1368518282 /nfs/dbraw/zinc/51/82/82/1368518282.db2.gz OLBPZQDVAUFVIP-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111952591 1368572142 /nfs/dbraw/zinc/57/21/42/1368572142.db2.gz PTIAZVBVCINSOJ-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952591 1368572143 /nfs/dbraw/zinc/57/21/43/1368572143.db2.gz PTIAZVBVCINSOJ-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952591 1368572146 /nfs/dbraw/zinc/57/21/46/1368572146.db2.gz PTIAZVBVCINSOJ-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001196375669 1368601088 /nfs/dbraw/zinc/60/10/88/1368601088.db2.gz NEPUAAVHQQAILV-UHFFFAOYSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001196375669 1368601094 /nfs/dbraw/zinc/60/10/94/1368601094.db2.gz NEPUAAVHQQAILV-UHFFFAOYSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001196375669 1368601097 /nfs/dbraw/zinc/60/10/97/1368601097.db2.gz NEPUAAVHQQAILV-UHFFFAOYSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001186605221 1387984121 /nfs/dbraw/zinc/98/41/21/1387984121.db2.gz MARWVOXXNQFCLG-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)CC1 ZINC001186605221 1387984127 /nfs/dbraw/zinc/98/41/27/1387984127.db2.gz MARWVOXXNQFCLG-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)CC1 ZINC001186605221 1387984137 /nfs/dbraw/zinc/98/41/37/1387984137.db2.gz MARWVOXXNQFCLG-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200508330 1369383465 /nfs/dbraw/zinc/38/34/65/1369383465.db2.gz ZLHKPWRIAOSPNM-LJQANCHMSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113520129 1369474545 /nfs/dbraw/zinc/47/45/45/1369474545.db2.gz NLLOJVGPRXHKHB-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202764459 1369882597 /nfs/dbraw/zinc/88/25/97/1369882597.db2.gz MVQABGAAGXAZHQ-IEBWSBKVSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312610 1370077305 /nfs/dbraw/zinc/07/73/05/1370077305.db2.gz GXGSYPCPVBDSII-GOSISDBHSA-N 2 1 349.906 3.013 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114828794 1370101425 /nfs/dbraw/zinc/10/14/25/1370101425.db2.gz KELVQVZGGQXZCL-ZSYWTGECSA-N 2 1 337.552 3.124 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001114920993 1370150034 /nfs/dbraw/zinc/15/00/34/1370150034.db2.gz FAYUVIZZGBWFIX-WCIQWLHISA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001114920993 1370150038 /nfs/dbraw/zinc/15/00/38/1370150038.db2.gz FAYUVIZZGBWFIX-WCIQWLHISA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001114920993 1370150042 /nfs/dbraw/zinc/15/00/42/1370150042.db2.gz FAYUVIZZGBWFIX-WCIQWLHISA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732442 1370239754 /nfs/dbraw/zinc/23/97/54/1370239754.db2.gz YNVXIFGIYKYKPH-ZWKOTPCHSA-N 2 1 346.519 3.179 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203852449 1370289423 /nfs/dbraw/zinc/28/94/23/1370289423.db2.gz CHWGLTPMODZNHI-HDICACEKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536768 1370533749 /nfs/dbraw/zinc/53/37/49/1370533749.db2.gz GWWSXYNTOZLMJN-MOPGFXCFSA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688061 1370671033 /nfs/dbraw/zinc/67/10/33/1370671033.db2.gz IYWPOTCJDDEBNR-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001205273856 1370703448 /nfs/dbraw/zinc/70/34/48/1370703448.db2.gz QHQUBTYKJHQGEH-FQEVSTJZSA-N 2 1 336.439 3.449 20 30 EGEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001205273856 1370703453 /nfs/dbraw/zinc/70/34/53/1370703453.db2.gz QHQUBTYKJHQGEH-FQEVSTJZSA-N 2 1 336.439 3.449 20 30 EGEDMP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1C[NH3+] ZINC001205629486 1370817548 /nfs/dbraw/zinc/81/75/48/1370817548.db2.gz ZFIITADBLYCPRG-STQMWFEESA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205654487 1370829858 /nfs/dbraw/zinc/82/98/58/1370829858.db2.gz XALKCAWJTGSFLK-GXTWGEPZSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CCC[C@H]1C[NH3+] ZINC001206003746 1370935496 /nfs/dbraw/zinc/93/54/96/1370935496.db2.gz MEJPCWKSZYESAT-JXFKEZNVSA-N 2 1 334.467 3.427 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206030604 1370943388 /nfs/dbraw/zinc/94/33/88/1370943388.db2.gz CUVQTIAIFXEXOC-ICSRJNTNSA-N 2 1 349.563 3.291 20 30 EGEDMP N#CCC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)C1CCCC1 ZINC001206709576 1371142128 /nfs/dbraw/zinc/14/21/28/1371142128.db2.gz GHHAIEXFCMMVOX-UHFFFAOYSA-N 2 1 327.472 3.177 20 30 EGEDMP N#CCCN(Cc1ccc(CN2CCOCC2)cc1)C1CCCC1 ZINC001206709576 1371142131 /nfs/dbraw/zinc/14/21/31/1371142131.db2.gz GHHAIEXFCMMVOX-UHFFFAOYSA-N 2 1 327.472 3.177 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120207741 1371504367 /nfs/dbraw/zinc/50/43/67/1371504367.db2.gz CTKUGKLEHAXBBI-INIZCTEOSA-N 2 1 341.927 3.022 20 30 EGEDMP C=CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001120393934 1371560868 /nfs/dbraw/zinc/56/08/68/1371560868.db2.gz YYBXRUBWNAKUPZ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120393934 1371560872 /nfs/dbraw/zinc/56/08/72/1371560872.db2.gz YYBXRUBWNAKUPZ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120393934 1371560876 /nfs/dbraw/zinc/56/08/76/1371560876.db2.gz YYBXRUBWNAKUPZ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431142 1371574613 /nfs/dbraw/zinc/57/46/13/1371574613.db2.gz PZMGSINMXICXEJ-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431142 1371574614 /nfs/dbraw/zinc/57/46/14/1371574614.db2.gz PZMGSINMXICXEJ-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431142 1371574616 /nfs/dbraw/zinc/57/46/16/1371574616.db2.gz PZMGSINMXICXEJ-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001208108225 1371597053 /nfs/dbraw/zinc/59/70/53/1371597053.db2.gz BLONOPATMZELGC-LJQANCHMSA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208473672 1371781523 /nfs/dbraw/zinc/78/15/23/1371781523.db2.gz CUFKXXYMQJCDLK-UXHICEINSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194032 1371885094 /nfs/dbraw/zinc/88/50/94/1371885094.db2.gz NMWTVCGQURBJDH-RBUNFDSBSA-N 2 1 347.547 3.233 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209151195 1372016313 /nfs/dbraw/zinc/01/63/13/1372016313.db2.gz ZYHSYHRGJYQEHM-IEBWSBKVSA-N 2 1 337.552 3.125 20 30 EGEDMP C#CCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001209266752 1372054934 /nfs/dbraw/zinc/05/49/34/1372054934.db2.gz BVSBLERWIDLCJR-UHFFFAOYSA-N 2 1 326.484 3.075 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857960 1388178939 /nfs/dbraw/zinc/17/89/39/1388178939.db2.gz WFSYRJPUDMNKFW-SLFFLAALSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857960 1388178944 /nfs/dbraw/zinc/17/89/44/1388178944.db2.gz WFSYRJPUDMNKFW-SLFFLAALSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857960 1388178949 /nfs/dbraw/zinc/17/89/49/1388178949.db2.gz WFSYRJPUDMNKFW-SLFFLAALSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376922 1372544133 /nfs/dbraw/zinc/54/41/33/1372544133.db2.gz PGCRMKVXOSCZBA-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092366 1373816813 /nfs/dbraw/zinc/81/68/13/1373816813.db2.gz PUPUUOLWXOUODO-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092366 1373816818 /nfs/dbraw/zinc/81/68/18/1373816818.db2.gz PUPUUOLWXOUODO-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132105634 1375150480 /nfs/dbraw/zinc/15/04/80/1375150480.db2.gz KKRYCIVZZWPQAV-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105634 1375150485 /nfs/dbraw/zinc/15/04/85/1375150485.db2.gz KKRYCIVZZWPQAV-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105634 1375150489 /nfs/dbraw/zinc/15/04/89/1375150489.db2.gz KKRYCIVZZWPQAV-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111386 1375153856 /nfs/dbraw/zinc/15/38/56/1375153856.db2.gz QJIQLUYKNIAEFX-ZWKOTPCHSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111386 1375153861 /nfs/dbraw/zinc/15/38/61/1375153861.db2.gz QJIQLUYKNIAEFX-ZWKOTPCHSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111386 1375153865 /nfs/dbraw/zinc/15/38/65/1375153865.db2.gz QJIQLUYKNIAEFX-ZWKOTPCHSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132153643 1375173411 /nfs/dbraw/zinc/17/34/11/1375173411.db2.gz RTTLUEIZHBSKIO-ZWKOTPCHSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132153643 1375173416 /nfs/dbraw/zinc/17/34/16/1375173416.db2.gz RTTLUEIZHBSKIO-ZWKOTPCHSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@@H]1C ZINC001132153643 1375173419 /nfs/dbraw/zinc/17/34/19/1375173419.db2.gz RTTLUEIZHBSKIO-ZWKOTPCHSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212360 1375213040 /nfs/dbraw/zinc/21/30/40/1375213040.db2.gz XDPJDHDNVRNQAE-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340208 1375319804 /nfs/dbraw/zinc/31/98/04/1375319804.db2.gz OPSQZZRMKZROQG-AZUAARDMSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485492 1375418741 /nfs/dbraw/zinc/41/87/41/1375418741.db2.gz IBQXPXHRKCAYNV-FUHWJXTLSA-N 2 1 334.508 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485492 1375418744 /nfs/dbraw/zinc/41/87/44/1375418744.db2.gz IBQXPXHRKCAYNV-FUHWJXTLSA-N 2 1 334.508 3.131 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001132523886 1375438991 /nfs/dbraw/zinc/43/89/91/1375438991.db2.gz BLDKOYGCIGALHI-YLJYHZDGSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165427 1375818674 /nfs/dbraw/zinc/81/86/74/1375818674.db2.gz GUUUOMGNWRADKP-HKUYNNGSSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133224432 1375853020 /nfs/dbraw/zinc/85/30/20/1375853020.db2.gz BUILYDZVUZLPJT-RBUKOAKNSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133230967 1375856160 /nfs/dbraw/zinc/85/61/60/1375856160.db2.gz ZTVQAPXCVMJSLJ-RBUKOAKNSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608623 1376623529 /nfs/dbraw/zinc/62/35/29/1376623529.db2.gz XYYQQDZDHROZCK-DLBZAZTESA-N 2 1 325.541 3.314 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691618 1377185480 /nfs/dbraw/zinc/18/54/80/1377185480.db2.gz XREIHGGXIWWWHI-MSOLQXFVSA-N 2 1 325.541 3.338 20 30 EGEDMP C=C(Cl)C[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001753293032 1440351069 /nfs/dbraw/zinc/35/10/69/1440351069.db2.gz VLHAVBRNRQLLOP-UHFFFAOYSA-N 2 1 343.943 3.076 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839949 1379280802 /nfs/dbraw/zinc/28/08/02/1379280802.db2.gz VVQPZRAHHAWBRG-UHFFFAOYSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153445330 1380077890 /nfs/dbraw/zinc/07/78/90/1380077890.db2.gz CBRROYMPSCALFF-IAGOWNOFSA-N 2 1 334.508 3.189 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153445330 1380077895 /nfs/dbraw/zinc/07/78/95/1380077895.db2.gz CBRROYMPSCALFF-IAGOWNOFSA-N 2 1 334.508 3.189 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCCCCC ZINC001155877667 1380501835 /nfs/dbraw/zinc/50/18/35/1380501835.db2.gz DQIWFMAUBXZKLH-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155877667 1380501836 /nfs/dbraw/zinc/50/18/36/1380501836.db2.gz DQIWFMAUBXZKLH-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155877667 1380501837 /nfs/dbraw/zinc/50/18/37/1380501837.db2.gz DQIWFMAUBXZKLH-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883984 1380502551 /nfs/dbraw/zinc/50/25/51/1380502551.db2.gz VDBOKQQURJZUPO-MSOLQXFVSA-N 2 1 325.541 3.146 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160359966 1382083235 /nfs/dbraw/zinc/08/32/35/1382083235.db2.gz HZCKFFBHZSTVOG-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360751 1382083660 /nfs/dbraw/zinc/08/36/60/1382083660.db2.gz WMRNHGXVQNRRGT-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360751 1382083661 /nfs/dbraw/zinc/08/36/61/1382083661.db2.gz WMRNHGXVQNRRGT-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360751 1382083665 /nfs/dbraw/zinc/08/36/65/1382083665.db2.gz WMRNHGXVQNRRGT-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160518186 1382129580 /nfs/dbraw/zinc/12/95/80/1382129580.db2.gz IQGVEENXIQICIV-QGZVFWFLSA-N 2 1 335.536 3.210 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518186 1382129583 /nfs/dbraw/zinc/12/95/83/1382129583.db2.gz IQGVEENXIQICIV-QGZVFWFLSA-N 2 1 335.536 3.210 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518186 1382129586 /nfs/dbraw/zinc/12/95/86/1382129586.db2.gz IQGVEENXIQICIV-QGZVFWFLSA-N 2 1 335.536 3.210 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559672 1382142087 /nfs/dbraw/zinc/14/20/87/1382142087.db2.gz NUSSCNCIYYTTAL-UHFFFAOYSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559672 1382142089 /nfs/dbraw/zinc/14/20/89/1382142089.db2.gz NUSSCNCIYYTTAL-UHFFFAOYSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559672 1382142091 /nfs/dbraw/zinc/14/20/91/1382142091.db2.gz NUSSCNCIYYTTAL-UHFFFAOYSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160953544 1382250464 /nfs/dbraw/zinc/25/04/64/1382250464.db2.gz DPDHANVOMHJTRU-INIZCTEOSA-N 2 1 334.895 3.393 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001160953544 1382250467 /nfs/dbraw/zinc/25/04/67/1382250467.db2.gz DPDHANVOMHJTRU-INIZCTEOSA-N 2 1 334.895 3.393 20 30 EGEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160991215 1382265024 /nfs/dbraw/zinc/26/50/24/1382265024.db2.gz NHEXMFLXPSYYFI-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160991215 1382265030 /nfs/dbraw/zinc/26/50/30/1382265030.db2.gz NHEXMFLXPSYYFI-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160991215 1382265035 /nfs/dbraw/zinc/26/50/35/1382265035.db2.gz NHEXMFLXPSYYFI-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133901 1382313619 /nfs/dbraw/zinc/31/36/19/1382313619.db2.gz SRBKSNFTPLRHOS-PKOBYXMFSA-N 2 1 335.536 3.066 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161645744 1382469158 /nfs/dbraw/zinc/46/91/58/1382469158.db2.gz QDYNEACHFPQIPM-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645744 1382469159 /nfs/dbraw/zinc/46/91/59/1382469159.db2.gz QDYNEACHFPQIPM-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645744 1382469161 /nfs/dbraw/zinc/46/91/61/1382469161.db2.gz QDYNEACHFPQIPM-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952964 1382569136 /nfs/dbraw/zinc/56/91/36/1382569136.db2.gz MYCPOKUKEHDVOL-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952964 1382569143 /nfs/dbraw/zinc/56/91/43/1382569143.db2.gz MYCPOKUKEHDVOL-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952964 1382569149 /nfs/dbraw/zinc/56/91/49/1382569149.db2.gz MYCPOKUKEHDVOL-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)cc1 ZINC001163094992 1382963536 /nfs/dbraw/zinc/96/35/36/1382963536.db2.gz DDKWPTVXJFMPLS-UYAOXDASSA-N 2 1 341.499 3.190 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334212 1383276194 /nfs/dbraw/zinc/27/61/94/1383276194.db2.gz XADXIIJFFFANPY-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165763524 1383341748 /nfs/dbraw/zinc/34/17/48/1383341748.db2.gz AJWNDBMYJKQPJU-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802813 1383479964 /nfs/dbraw/zinc/47/99/64/1383479964.db2.gz KVMJKJCZHWGTSX-LJQANCHMSA-N 2 1 347.547 3.236 20 30 EGEDMP N#Cc1ccc(O[C@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168394726 1383895169 /nfs/dbraw/zinc/89/51/69/1383895169.db2.gz DSOUWKDOSPLMCA-NRFANRHFSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(O[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168394726 1383895173 /nfs/dbraw/zinc/89/51/73/1383895173.db2.gz DSOUWKDOSPLMCA-NRFANRHFSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1c2c(c[nH+]c1NCC[C@H]1CCC[NH2+]1)CCN2Cc1ccccc1 ZINC001169562363 1384159856 /nfs/dbraw/zinc/15/98/56/1384159856.db2.gz BYOKUXMGNCMWBU-GOSISDBHSA-N 2 1 347.466 3.070 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001172127986 1384736839 /nfs/dbraw/zinc/73/68/39/1384736839.db2.gz NBPOTYPJCTWJPZ-BWTSREIZSA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001172127986 1384736841 /nfs/dbraw/zinc/73/68/41/1384736841.db2.gz NBPOTYPJCTWJPZ-BWTSREIZSA-N 2 1 339.483 3.417 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317051588 1384828279 /nfs/dbraw/zinc/82/82/79/1384828279.db2.gz IPXPGQYVWAAELS-OTWHNJEPSA-N 2 1 337.552 3.218 20 30 EGEDMP C=CCOC1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001173312720 1384956066 /nfs/dbraw/zinc/95/60/66/1384956066.db2.gz KVZXUABYAPVXAV-UHFFFAOYSA-N 2 1 344.499 3.122 20 30 EGEDMP CC(C)N1CCOC[C@]2(CCC[N@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595658 1384983461 /nfs/dbraw/zinc/98/34/61/1384983461.db2.gz RQSVQHFOMSICRL-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595658 1384983466 /nfs/dbraw/zinc/98/34/66/1384983466.db2.gz RQSVQHFOMSICRL-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595658 1384983469 /nfs/dbraw/zinc/98/34/69/1384983469.db2.gz RQSVQHFOMSICRL-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595658 1384983472 /nfs/dbraw/zinc/98/34/72/1384983472.db2.gz RQSVQHFOMSICRL-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595658 1384983475 /nfs/dbraw/zinc/98/34/75/1384983475.db2.gz RQSVQHFOMSICRL-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256786 1385231205 /nfs/dbraw/zinc/23/12/05/1385231205.db2.gz OSDNVXGOWMJAJO-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759267 1385685895 /nfs/dbraw/zinc/68/58/95/1385685895.db2.gz HPKIKCBIRGLHRN-PKOBYXMFSA-N 2 1 331.504 3.130 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177484394 1385974076 /nfs/dbraw/zinc/97/40/76/1385974076.db2.gz CMMOKNVRNDFGJP-KDURUIRLSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178692808 1386278790 /nfs/dbraw/zinc/27/87/90/1386278790.db2.gz BYQUWSXLXCWXKR-IBGZPJMESA-N 2 1 337.552 3.482 20 30 EGEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361538 1386463148 /nfs/dbraw/zinc/46/31/48/1386463148.db2.gz JDQGTMCUOSHJSD-IBGZPJMESA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001179593134 1386527037 /nfs/dbraw/zinc/52/70/37/1386527037.db2.gz XJKOPLXQRXMRDJ-UHFFFAOYSA-N 2 1 345.531 3.003 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001179741962 1386568279 /nfs/dbraw/zinc/56/82/79/1386568279.db2.gz QNSVKYOTYWTCOM-UHFFFAOYSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792451 1386587884 /nfs/dbraw/zinc/58/78/84/1386587884.db2.gz NMMOCEXFUGWVGG-RTBURBONSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@H+](C)CCCCCC ZINC001179839052 1386602744 /nfs/dbraw/zinc/60/27/44/1386602744.db2.gz XXRDLMJOROXBSG-UHFFFAOYSA-N 2 1 325.541 3.341 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC ZINC001179988257 1386659919 /nfs/dbraw/zinc/65/99/19/1386659919.db2.gz DWHOXVQLXSVDLA-UHFFFAOYSA-N 2 1 325.541 3.341 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728576 1387046519 /nfs/dbraw/zinc/04/65/19/1387046519.db2.gz NGBFHZRIDFEYLX-SVFBPWRDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369599 1387157574 /nfs/dbraw/zinc/15/75/74/1387157574.db2.gz SKOCDMYJEIDZGE-QFCZJPRCSA-N 2 1 349.563 3.146 20 30 EGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC001336764265 1389161118 /nfs/dbraw/zinc/16/11/18/1389161118.db2.gz ZVXONODDBMQJPJ-OAQYLSRUSA-N 2 1 337.467 3.222 20 30 EGEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001331595774 1389818731 /nfs/dbraw/zinc/81/87/31/1389818731.db2.gz IBJDMIOZLHYDDG-URVUXULASA-N 2 1 337.511 3.042 20 30 EGEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001331595774 1389818738 /nfs/dbraw/zinc/81/87/38/1389818738.db2.gz IBJDMIOZLHYDDG-URVUXULASA-N 2 1 337.511 3.042 20 30 EGEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001714911084 1419657480 /nfs/dbraw/zinc/65/74/80/1419657480.db2.gz DIBWIWSJQCNNJJ-KRWDZBQOSA-N 2 1 343.943 3.030 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001753112937 1440309659 /nfs/dbraw/zinc/30/96/59/1440309659.db2.gz FCBHTXOATXFYMA-FXAWDEMLSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001753364200 1440384265 /nfs/dbraw/zinc/38/42/65/1440384265.db2.gz SPKQFKQAJPVSGD-YZGWKJHDSA-N 2 1 349.563 3.242 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001753364200 1440384266 /nfs/dbraw/zinc/38/42/66/1440384266.db2.gz SPKQFKQAJPVSGD-YZGWKJHDSA-N 2 1 349.563 3.242 20 30 EGEDMP C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001753364200 1440384267 /nfs/dbraw/zinc/38/42/67/1440384267.db2.gz SPKQFKQAJPVSGD-YZGWKJHDSA-N 2 1 349.563 3.242 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001753550443 1440434868 /nfs/dbraw/zinc/43/48/68/1440434868.db2.gz RBPBWJFKKKFCBS-WOJBJXKFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001753872884 1440517924 /nfs/dbraw/zinc/51/79/24/1440517924.db2.gz PJGKTKWXQKZSKN-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001753872884 1440517925 /nfs/dbraw/zinc/51/79/25/1440517925.db2.gz PJGKTKWXQKZSKN-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001753872884 1440517926 /nfs/dbraw/zinc/51/79/26/1440517926.db2.gz PJGKTKWXQKZSKN-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001754548665 1440628981 /nfs/dbraw/zinc/62/89/81/1440628981.db2.gz ZXRXBSFGFNELBG-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001754548665 1440628982 /nfs/dbraw/zinc/62/89/82/1440628982.db2.gz ZXRXBSFGFNELBG-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001754548665 1440628983 /nfs/dbraw/zinc/62/89/83/1440628983.db2.gz ZXRXBSFGFNELBG-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001754558573 1440633001 /nfs/dbraw/zinc/63/30/01/1440633001.db2.gz WONGOYWMGPCNQK-OAQYLSRUSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001754558573 1440633002 /nfs/dbraw/zinc/63/30/02/1440633002.db2.gz WONGOYWMGPCNQK-OAQYLSRUSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001754558573 1440633003 /nfs/dbraw/zinc/63/30/03/1440633003.db2.gz WONGOYWMGPCNQK-OAQYLSRUSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001754628475 1440647045 /nfs/dbraw/zinc/64/70/45/1440647045.db2.gz VRLQRHMCJUEHSR-SFHVURJKSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001754722121 1440673779 /nfs/dbraw/zinc/67/37/79/1440673779.db2.gz MEGZXZXVRYMPBH-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001754726437 1440676439 /nfs/dbraw/zinc/67/64/39/1440676439.db2.gz ACTBSGNSJTUQEU-XLIONFOSSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001754726437 1440676440 /nfs/dbraw/zinc/67/64/40/1440676440.db2.gz ACTBSGNSJTUQEU-XLIONFOSSA-N 2 1 346.519 3.191 20 30 EGEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754928824 1440710163 /nfs/dbraw/zinc/71/01/63/1440710163.db2.gz YZCUHIMYSPPQJU-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001754948952 1440714502 /nfs/dbraw/zinc/71/45/02/1440714502.db2.gz SNAPYVASGIWKEB-FXAWDEMLSA-N 2 1 343.515 3.402 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755034292 1440733250 /nfs/dbraw/zinc/73/32/50/1440733250.db2.gz OVBNCIDTQZXJKF-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001755139295 1440759540 /nfs/dbraw/zinc/75/95/40/1440759540.db2.gz VKCKNBMJHWIFBK-IRXDYDNUSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001755411434 1440846601 /nfs/dbraw/zinc/84/66/01/1440846601.db2.gz CCARKWYWDFHXKD-KRWDZBQOSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001755411434 1440846602 /nfs/dbraw/zinc/84/66/02/1440846602.db2.gz CCARKWYWDFHXKD-KRWDZBQOSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001755411434 1440846603 /nfs/dbraw/zinc/84/66/03/1440846603.db2.gz CCARKWYWDFHXKD-KRWDZBQOSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001755763293 1440915442 /nfs/dbraw/zinc/91/54/42/1440915442.db2.gz QLBGGPXWJWHUKC-MOPGFXCFSA-N 2 1 343.515 3.082 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(C#N)c3)c2)CCO1 ZINC000067976607 215265295 /nfs/dbraw/zinc/26/52/95/215265295.db2.gz MXIOSFAKRIJSIQ-QGZVFWFLSA-N 2 1 335.451 3.069 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(C#N)c3)c2)CCO1 ZINC000067976607 215265298 /nfs/dbraw/zinc/26/52/98/215265298.db2.gz MXIOSFAKRIJSIQ-QGZVFWFLSA-N 2 1 335.451 3.069 20 30 EGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000118532767 152141504 /nfs/dbraw/zinc/14/15/04/152141504.db2.gz CTVONOVVEXVGIE-OTWHNJEPSA-N 2 1 340.515 3.110 20 30 EGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000118532767 152141510 /nfs/dbraw/zinc/14/15/10/152141510.db2.gz CTVONOVVEXVGIE-OTWHNJEPSA-N 2 1 340.515 3.110 20 30 EGEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428239449 267059014 /nfs/dbraw/zinc/05/90/14/267059014.db2.gz PKLFZWMXZXNFKA-UHFFFAOYSA-N 2 1 333.451 3.020 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000190002444 455270556 /nfs/dbraw/zinc/27/05/56/455270556.db2.gz YHSIBCJUXBKJSW-YLJYHZDGSA-N 2 1 329.488 3.093 20 30 EGEDMP C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000103142418 454539696 /nfs/dbraw/zinc/53/96/96/454539696.db2.gz APHSXHWQBNXDFV-IYBDPMFKSA-N 2 1 345.462 3.019 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC000106245164 454687654 /nfs/dbraw/zinc/68/76/54/454687654.db2.gz IVUFGVPIIWJNQN-UHFFFAOYSA-N 2 1 348.487 3.233 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(F)cc2)CC1 ZINC000152948123 454745483 /nfs/dbraw/zinc/74/54/83/454745483.db2.gz XNPSGBPKKKDHGQ-OAHLLOKOSA-N 2 1 333.451 3.173 20 30 EGEDMP C=CCc1cc(C[NH2+]C2CC[NH+](CC(=C)C)CC2)cc(OC)c1O ZINC000113338734 454923943 /nfs/dbraw/zinc/92/39/43/454923943.db2.gz CMHJCCNZGXNXGJ-UHFFFAOYSA-N 2 1 330.472 3.259 20 30 EGEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156909011 455156640 /nfs/dbraw/zinc/15/66/40/455156640.db2.gz BUVMYAHWFSVVQH-HLIPFELVSA-N 2 1 343.515 3.074 20 30 EGEDMP N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157204151 455172854 /nfs/dbraw/zinc/17/28/54/455172854.db2.gz IIHUDBPANSZMDM-LJQANCHMSA-N 2 1 327.472 3.277 20 30 EGEDMP N#Cc1cccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000160921742 455514133 /nfs/dbraw/zinc/51/41/33/455514133.db2.gz NGUNUICMMKAUBI-UHFFFAOYSA-N 2 1 327.472 3.277 20 30 EGEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267430495 455550576 /nfs/dbraw/zinc/55/05/76/455550576.db2.gz MNVUBIZHIMWTOR-UHFFFAOYSA-N 2 1 325.460 3.277 20 30 EGEDMP COc1cc(C#N)ccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673294 455593811 /nfs/dbraw/zinc/59/38/11/455593811.db2.gz USDHMMPVQWYGSF-CRAIPNDOSA-N 2 1 327.472 3.309 20 30 EGEDMP COc1cc(C#N)ccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673294 455593816 /nfs/dbraw/zinc/59/38/16/455593816.db2.gz USDHMMPVQWYGSF-CRAIPNDOSA-N 2 1 327.472 3.309 20 30 EGEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000271050241 456112678 /nfs/dbraw/zinc/11/26/78/456112678.db2.gz VGVACICMOKLLQO-UHFFFAOYSA-N 2 1 328.504 3.341 20 30 EGEDMP COc1cc(CN2CCC(Oc3ccncc3C)CC2)ccc1C#N ZINC000282114758 456416543 /nfs/dbraw/zinc/41/65/43/456416543.db2.gz ALSFCWDOYKQWNH-UHFFFAOYSA-N 2 1 337.423 3.314 20 30 EGEDMP C=CCCC[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000341139112 456819466 /nfs/dbraw/zinc/81/94/66/456819466.db2.gz RNSUJESBUUKIOT-FHWLQOOXSA-N 2 1 338.536 3.321 20 30 EGEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000371295709 457852547 /nfs/dbraw/zinc/85/25/47/457852547.db2.gz UNNSSUHLAFVGDH-YZGWKJHDSA-N 2 1 341.499 3.171 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000436289618 458284387 /nfs/dbraw/zinc/28/43/87/458284387.db2.gz XSMPSKYKVYMBJO-YHINDDMVSA-N 2 1 340.511 3.468 20 30 EGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420317077 458398212 /nfs/dbraw/zinc/39/82/12/458398212.db2.gz MYJJBQBQJIEUSW-LJQANCHMSA-N 2 1 340.467 3.434 20 30 EGEDMP N#Cc1ccc(N2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000423258529 458430453 /nfs/dbraw/zinc/43/04/53/458430453.db2.gz BRYLAGFSKWPBHH-FQEVSTJZSA-N 2 1 326.488 3.024 20 30 EGEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C[NH2+]CC)CC1 ZINC000430580795 458465820 /nfs/dbraw/zinc/46/58/20/458465820.db2.gz NAAZGSRZTGCQAW-UHFFFAOYSA-N 2 1 347.528 3.225 20 30 EGEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H](C#N)C3)CC2)cs1 ZINC000442788640 459035221 /nfs/dbraw/zinc/03/52/21/459035221.db2.gz YECUTGPKFRJXJU-CVEARBPZSA-N 2 1 332.517 3.199 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559754405 459276504 /nfs/dbraw/zinc/27/65/04/459276504.db2.gz ZRFZIMPAKSKEIO-NHCUHLMSSA-N 2 1 327.516 3.452 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000488166495 459541253 /nfs/dbraw/zinc/54/12/53/459541253.db2.gz ULIBNBFQLQJTHG-UHFFFAOYSA-N 2 1 343.515 3.437 20 30 EGEDMP C[C@H]1C[C@H](N(C)Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602478187 459957780 /nfs/dbraw/zinc/95/77/80/459957780.db2.gz ZXJZEEKEGJTNIO-LAUBAEHRSA-N 2 1 334.467 3.438 20 30 EGEDMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC000598724183 460007660 /nfs/dbraw/zinc/00/76/60/460007660.db2.gz JDXYSULLRRHISW-RLLQIKCJSA-N 2 1 343.515 3.177 20 30 EGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1cccc(C#N)c1 ZINC000603110010 460244885 /nfs/dbraw/zinc/24/48/85/460244885.db2.gz JENRAKMKTOWJIX-UHFFFAOYSA-N 2 1 342.487 3.085 20 30 EGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611392804 460353594 /nfs/dbraw/zinc/35/35/94/460353594.db2.gz MRGVCAMMCIBFIY-CTNGQTDRSA-N 2 1 339.483 3.169 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000152938541 526605012 /nfs/dbraw/zinc/60/50/12/526605012.db2.gz LCTISKTYJLYJCG-SFHVURJKSA-N 3 1 345.531 3.318 20 30 EGEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000104180796 1293019769 /nfs/dbraw/zinc/01/97/69/1293019769.db2.gz DAAHHDWFCOTLNC-JKSUJKDBSA-N 2 1 334.533 3.007 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000164518555 1294348834 /nfs/dbraw/zinc/34/88/34/1294348834.db2.gz ZNZDOTUXJQRLCD-LPHOPBHVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000164518555 1294348839 /nfs/dbraw/zinc/34/88/39/1294348839.db2.gz ZNZDOTUXJQRLCD-LPHOPBHVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000164518555 1294348842 /nfs/dbraw/zinc/34/88/42/1294348842.db2.gz ZNZDOTUXJQRLCD-LPHOPBHVSA-N 2 1 330.472 3.045 20 30 EGEDMP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000178035974 1294712122 /nfs/dbraw/zinc/71/21/22/1294712122.db2.gz KWOFJJWEUOOUDL-OTWHNJEPSA-N 2 1 344.499 3.239 20 30 EGEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CCCCCC1 ZINC000195291581 1296055399 /nfs/dbraw/zinc/05/53/99/1296055399.db2.gz QRWDPXXLAUZDBW-GOSISDBHSA-N 2 1 328.504 3.136 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000246257604 1296344833 /nfs/dbraw/zinc/34/48/33/1296344833.db2.gz GYXJSECJEFNLHI-FUHWJXTLSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000246257604 1296344842 /nfs/dbraw/zinc/34/48/42/1296344842.db2.gz GYXJSECJEFNLHI-FUHWJXTLSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000246257604 1296344853 /nfs/dbraw/zinc/34/48/53/1296344853.db2.gz GYXJSECJEFNLHI-FUHWJXTLSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1O ZINC000246939228 1296376761 /nfs/dbraw/zinc/37/67/61/1296376761.db2.gz LJUPDALMYXSJFA-YLJYHZDGSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000246939228 1296376779 /nfs/dbraw/zinc/37/67/79/1296376779.db2.gz LJUPDALMYXSJFA-YLJYHZDGSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000246939228 1296376790 /nfs/dbraw/zinc/37/67/90/1296376790.db2.gz LJUPDALMYXSJFA-YLJYHZDGSA-N 2 1 344.499 3.436 20 30 EGEDMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000303882523 1296867241 /nfs/dbraw/zinc/86/72/41/1296867241.db2.gz IDPQNARBGKSQTI-UHFFFAOYSA-N 2 1 348.491 3.085 20 30 EGEDMP COc1cccc(NC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000303902517 1296877617 /nfs/dbraw/zinc/87/76/17/1296877617.db2.gz XUGQOSZDFIQIKW-GOSISDBHSA-N 2 1 326.444 3.033 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH+]=C(N(C)C)N(C)C)cc2)C1 ZINC000303906352 1296878089 /nfs/dbraw/zinc/87/80/89/1296878089.db2.gz VYSGABYNFZFFMH-CALCHBBNSA-N 2 1 330.520 3.144 20 30 EGEDMP C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000304747676 1296939609 /nfs/dbraw/zinc/93/96/09/1296939609.db2.gz GQBULGPDSDGSCY-NEPJUHHUSA-N 2 1 343.302 3.301 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000877675385 1299471383 /nfs/dbraw/zinc/47/13/83/1299471383.db2.gz YTWWTNQCPOMMHK-UHFFFAOYSA-N 2 1 340.515 3.487 20 30 EGEDMP C=CCc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(OC)c1OC ZINC000782155698 1304922391 /nfs/dbraw/zinc/92/23/91/1304922391.db2.gz UFAUCIGNVMXLPB-UHFFFAOYSA-N 2 1 332.488 3.395 20 30 EGEDMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902871413 1317625259 /nfs/dbraw/zinc/62/52/59/1317625259.db2.gz NWPKVSLJTHOQCU-QKLQHJQFSA-N 2 1 329.488 3.488 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000819024356 1319616414 /nfs/dbraw/zinc/61/64/14/1319616414.db2.gz OEWHQDWLYYJABI-QGZVFWFLSA-N 2 1 342.405 3.369 20 30 EGEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819079830 1319628727 /nfs/dbraw/zinc/62/87/27/1319628727.db2.gz WXFYCCWJNOLKPP-JTSKRJEESA-N 2 1 349.478 3.407 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770081 1319920872 /nfs/dbraw/zinc/92/08/72/1319920872.db2.gz OZAAHIHEVIECHU-QGZVFWFLSA-N 2 1 347.503 3.139 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618409 1323546705 /nfs/dbraw/zinc/54/67/05/1323546705.db2.gz UHKVJFNVHDSAMA-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618409 1323546712 /nfs/dbraw/zinc/54/67/12/1323546712.db2.gz UHKVJFNVHDSAMA-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618409 1323546717 /nfs/dbraw/zinc/54/67/17/1323546717.db2.gz UHKVJFNVHDSAMA-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943519327 1332192957 /nfs/dbraw/zinc/19/29/57/1332192957.db2.gz WJDLLFZQPRXVAQ-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361046 1333102939 /nfs/dbraw/zinc/10/29/39/1333102939.db2.gz LHUUDSYCBUBDJQ-RDJZCZTQSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057687 1333358526 /nfs/dbraw/zinc/35/85/26/1333358526.db2.gz XSUUSPKRQIOMKX-YJBOKZPZSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057687 1333358527 /nfs/dbraw/zinc/35/85/27/1333358527.db2.gz XSUUSPKRQIOMKX-YJBOKZPZSA-N 2 1 349.906 3.083 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100536 1336142864 /nfs/dbraw/zinc/14/28/64/1336142864.db2.gz AGMDPXOMQMRTED-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016660795 1338682340 /nfs/dbraw/zinc/68/23/40/1338682340.db2.gz BMWCOJVKTLVPPO-RBUKOAKNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233974 1343056406 /nfs/dbraw/zinc/05/64/06/1343056406.db2.gz QVOSPKCYFZGAKF-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039279763 1344994712 /nfs/dbraw/zinc/99/47/12/1344994712.db2.gz CMQDFHKQTFWKOA-UMQXSMKFSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041781844 1345847900 /nfs/dbraw/zinc/84/79/00/1345847900.db2.gz LEOKGKFDGTYSPX-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041781844 1345847901 /nfs/dbraw/zinc/84/79/01/1345847901.db2.gz LEOKGKFDGTYSPX-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041781844 1345847902 /nfs/dbraw/zinc/84/79/02/1345847902.db2.gz LEOKGKFDGTYSPX-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510443 1347885061 /nfs/dbraw/zinc/88/50/61/1347885061.db2.gz GHAYXYJSCZCXEX-DLBZAZTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510443 1347885063 /nfs/dbraw/zinc/88/50/63/1347885063.db2.gz GHAYXYJSCZCXEX-DLBZAZTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510444 1347885251 /nfs/dbraw/zinc/88/52/51/1347885251.db2.gz GHAYXYJSCZCXEX-IAGOWNOFSA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510444 1347885255 /nfs/dbraw/zinc/88/52/55/1347885255.db2.gz GHAYXYJSCZCXEX-IAGOWNOFSA-N 2 1 347.528 3.065 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049523711 1347891522 /nfs/dbraw/zinc/89/15/22/1347891522.db2.gz GKLDYEHKNCBOAH-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049523711 1347891524 /nfs/dbraw/zinc/89/15/24/1347891524.db2.gz GKLDYEHKNCBOAH-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049523711 1347891526 /nfs/dbraw/zinc/89/15/26/1347891526.db2.gz GKLDYEHKNCBOAH-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913916 1348109207 /nfs/dbraw/zinc/10/92/07/1348109207.db2.gz KDLNTDDTYWOHMD-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970646 1360119861 /nfs/dbraw/zinc/11/98/61/1360119861.db2.gz JNVQSJNBXRYBNR-CEXWTWQISA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970646 1360119865 /nfs/dbraw/zinc/11/98/65/1360119865.db2.gz JNVQSJNBXRYBNR-CEXWTWQISA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970646 1360119868 /nfs/dbraw/zinc/11/98/68/1360119868.db2.gz JNVQSJNBXRYBNR-CEXWTWQISA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416127 1360410581 /nfs/dbraw/zinc/41/05/81/1360410581.db2.gz HTNKJMLDDIMTFL-GOSISDBHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430349 1360422215 /nfs/dbraw/zinc/42/22/15/1360422215.db2.gz LVPVTYGNGGDELX-KRWDZBQOSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445425 1360434418 /nfs/dbraw/zinc/43/44/18/1360434418.db2.gz INGGSFGBVMKRSJ-OALUTQOASA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089707618 1360611289 /nfs/dbraw/zinc/61/12/89/1360611289.db2.gz OPLPKKKOBJXRNB-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089707618 1360611291 /nfs/dbraw/zinc/61/12/91/1360611291.db2.gz OPLPKKKOBJXRNB-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089707618 1360611293 /nfs/dbraw/zinc/61/12/93/1360611293.db2.gz OPLPKKKOBJXRNB-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094529469 1361846849 /nfs/dbraw/zinc/84/68/49/1361846849.db2.gz WEFWNHPXQXJPHH-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529469 1361846851 /nfs/dbraw/zinc/84/68/51/1361846851.db2.gz WEFWNHPXQXJPHH-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094529469 1361846853 /nfs/dbraw/zinc/84/68/53/1361846853.db2.gz WEFWNHPXQXJPHH-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219072 1362890412 /nfs/dbraw/zinc/89/04/12/1362890412.db2.gz RSRYNVWUNYVJQK-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097219072 1362890414 /nfs/dbraw/zinc/89/04/14/1362890414.db2.gz RSRYNVWUNYVJQK-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097219072 1362890417 /nfs/dbraw/zinc/89/04/17/1362890417.db2.gz RSRYNVWUNYVJQK-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705621 1363105590 /nfs/dbraw/zinc/10/55/90/1363105590.db2.gz SWZRHAMELSYYEC-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705621 1363105592 /nfs/dbraw/zinc/10/55/92/1363105592.db2.gz SWZRHAMELSYYEC-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705621 1363105594 /nfs/dbraw/zinc/10/55/94/1363105594.db2.gz SWZRHAMELSYYEC-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191453 1363250098 /nfs/dbraw/zinc/25/00/98/1363250098.db2.gz GTUSYABYQUZTQD-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098191453 1363250101 /nfs/dbraw/zinc/25/01/01/1363250101.db2.gz GTUSYABYQUZTQD-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098191453 1363250102 /nfs/dbraw/zinc/25/01/02/1363250102.db2.gz GTUSYABYQUZTQD-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001099069221 1363605648 /nfs/dbraw/zinc/60/56/48/1363605648.db2.gz CIGMSJIEAUMKLO-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001099069221 1363605650 /nfs/dbraw/zinc/60/56/50/1363605650.db2.gz CIGMSJIEAUMKLO-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001099069221 1363605654 /nfs/dbraw/zinc/60/56/54/1363605654.db2.gz CIGMSJIEAUMKLO-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099116337 1363632390 /nfs/dbraw/zinc/63/23/90/1363632390.db2.gz QODYBRMPZJCGGQ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116337 1363632393 /nfs/dbraw/zinc/63/23/93/1363632393.db2.gz QODYBRMPZJCGGQ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116337 1363632397 /nfs/dbraw/zinc/63/23/97/1363632397.db2.gz QODYBRMPZJCGGQ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099154045 1363660562 /nfs/dbraw/zinc/66/05/62/1363660562.db2.gz TYUJHBYRPDRELQ-MOPGFXCFSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099234798 1363705622 /nfs/dbraw/zinc/70/56/22/1363705622.db2.gz MICODNATTVWORG-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234798 1363705625 /nfs/dbraw/zinc/70/56/25/1363705625.db2.gz MICODNATTVWORG-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234798 1363705628 /nfs/dbraw/zinc/70/56/28/1363705628.db2.gz MICODNATTVWORG-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251424 1363713783 /nfs/dbraw/zinc/71/37/83/1363713783.db2.gz JRRXIQHPPRREII-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099259133 1363720504 /nfs/dbraw/zinc/72/05/04/1363720504.db2.gz XOBHZMLZVHHOPA-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099259133 1363720506 /nfs/dbraw/zinc/72/05/06/1363720506.db2.gz XOBHZMLZVHHOPA-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCCCCC ZINC001099270194 1363724571 /nfs/dbraw/zinc/72/45/71/1363724571.db2.gz JCIPUYIBLGWMOM-IBGZPJMESA-N 2 1 349.563 3.129 20 30 EGEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099270194 1363724573 /nfs/dbraw/zinc/72/45/73/1363724573.db2.gz JCIPUYIBLGWMOM-IBGZPJMESA-N 2 1 349.563 3.129 20 30 EGEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099270194 1363724578 /nfs/dbraw/zinc/72/45/78/1363724578.db2.gz JCIPUYIBLGWMOM-IBGZPJMESA-N 2 1 349.563 3.129 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353449 1363767686 /nfs/dbraw/zinc/76/76/86/1363767686.db2.gz BGNBJMLRPHYABU-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271395 1365465408 /nfs/dbraw/zinc/46/54/08/1365465408.db2.gz MKBLCOBZIPPKQA-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104379123 1365995315 /nfs/dbraw/zinc/99/53/15/1365995315.db2.gz YSDLTVNKXPCKPP-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742867 1366153682 /nfs/dbraw/zinc/15/36/82/1366153682.db2.gz PMGVNWBHPGMKHC-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541637 1366520119 /nfs/dbraw/zinc/52/01/19/1366520119.db2.gz GOVMQEPXMKFTEY-LJQANCHMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174236 1367190422 /nfs/dbraw/zinc/19/04/22/1367190422.db2.gz DOBIIUNOZUTJDT-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174236 1367190426 /nfs/dbraw/zinc/19/04/26/1367190426.db2.gz DOBIIUNOZUTJDT-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174236 1367190429 /nfs/dbraw/zinc/19/04/29/1367190429.db2.gz DOBIIUNOZUTJDT-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799096 1367328438 /nfs/dbraw/zinc/32/84/38/1367328438.db2.gz IFYAPLNDKOIABS-AABGKKOBSA-N 2 1 349.563 3.410 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001190756822 1367343367 /nfs/dbraw/zinc/34/33/67/1367343367.db2.gz XXGHCAOJAQGFNB-BRWVUGGUSA-N 2 1 332.492 3.016 20 30 EGEDMP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001190756822 1367343374 /nfs/dbraw/zinc/34/33/74/1367343374.db2.gz XXGHCAOJAQGFNB-BRWVUGGUSA-N 2 1 332.492 3.016 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001190756822 1367343381 /nfs/dbraw/zinc/34/33/81/1367343381.db2.gz XXGHCAOJAQGFNB-BRWVUGGUSA-N 2 1 332.492 3.016 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560389 1367527798 /nfs/dbraw/zinc/52/77/98/1367527798.db2.gz FAOIYICQNCPSSP-ROUUACIJSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641670 1367840865 /nfs/dbraw/zinc/84/08/65/1367840865.db2.gz MKZXFJPKKARPEW-MSOLQXFVSA-N 2 1 346.519 3.284 20 30 EGEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641670 1367840870 /nfs/dbraw/zinc/84/08/70/1367840870.db2.gz MKZXFJPKKARPEW-MSOLQXFVSA-N 2 1 346.519 3.284 20 30 EGEDMP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192859342 1367889576 /nfs/dbraw/zinc/88/95/76/1367889576.db2.gz WNNYIPYNPVNELS-IBGZPJMESA-N 2 1 348.535 3.475 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192859342 1367889579 /nfs/dbraw/zinc/88/95/79/1367889579.db2.gz WNNYIPYNPVNELS-IBGZPJMESA-N 2 1 348.535 3.475 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110947273 1368115060 /nfs/dbraw/zinc/11/50/60/1368115060.db2.gz GSTVKXLORVPEBE-OMZCGLGVSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947273 1368115063 /nfs/dbraw/zinc/11/50/63/1368115063.db2.gz GSTVKXLORVPEBE-OMZCGLGVSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110947273 1368115068 /nfs/dbraw/zinc/11/50/68/1368115068.db2.gz GSTVKXLORVPEBE-OMZCGLGVSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246004 1368216422 /nfs/dbraw/zinc/21/64/22/1368216422.db2.gz IROFOXOYIHRRHN-MJGOQNOKSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001111818163 1368480529 /nfs/dbraw/zinc/48/05/29/1368480529.db2.gz SXFVXLBQZBXLDE-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111818163 1368480532 /nfs/dbraw/zinc/48/05/32/1368480532.db2.gz SXFVXLBQZBXLDE-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111818163 1368480539 /nfs/dbraw/zinc/48/05/39/1368480539.db2.gz SXFVXLBQZBXLDE-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484787 1368824468 /nfs/dbraw/zinc/82/44/68/1368824468.db2.gz JFYBCCMTSKJOEM-RBUKOAKNSA-N 2 1 337.552 3.242 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198259058 1368991375 /nfs/dbraw/zinc/99/13/75/1368991375.db2.gz KHDRRPOLLKKULI-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001198259058 1368991379 /nfs/dbraw/zinc/99/13/79/1368991379.db2.gz KHDRRPOLLKKULI-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001198259058 1368991382 /nfs/dbraw/zinc/99/13/82/1368991382.db2.gz KHDRRPOLLKKULI-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186598509 1387981744 /nfs/dbraw/zinc/98/17/44/1387981744.db2.gz UAOGXJZXRWLROU-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001186605748 1387985626 /nfs/dbraw/zinc/98/56/26/1387985626.db2.gz STYBSBHAYKFLQM-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186605748 1387985630 /nfs/dbraw/zinc/98/56/30/1387985630.db2.gz STYBSBHAYKFLQM-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186605748 1387985636 /nfs/dbraw/zinc/98/56/36/1387985636.db2.gz STYBSBHAYKFLQM-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529057 1369479807 /nfs/dbraw/zinc/47/98/07/1369479807.db2.gz BUOXKCLCXVFFOA-ICSRJNTNSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529057 1369479808 /nfs/dbraw/zinc/47/98/08/1369479808.db2.gz BUOXKCLCXVFFOA-ICSRJNTNSA-N 2 1 343.515 3.178 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001114724306 1370047373 /nfs/dbraw/zinc/04/73/73/1370047373.db2.gz KFRFCLHMTLCVCG-ZRNYENFQSA-N 2 1 349.563 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001114724306 1370047378 /nfs/dbraw/zinc/04/73/78/1370047378.db2.gz KFRFCLHMTLCVCG-ZRNYENFQSA-N 2 1 349.563 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001114724306 1370047380 /nfs/dbraw/zinc/04/73/80/1370047380.db2.gz KFRFCLHMTLCVCG-ZRNYENFQSA-N 2 1 349.563 3.125 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313490 1370078198 /nfs/dbraw/zinc/07/81/98/1370078198.db2.gz RQOYXTFJKZBPIN-FQEVSTJZSA-N 2 1 343.515 3.226 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732441 1370240183 /nfs/dbraw/zinc/24/01/83/1370240183.db2.gz YNVXIFGIYKYKPH-ROUUACIJSA-N 2 1 346.519 3.179 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115533860 1370531600 /nfs/dbraw/zinc/53/16/00/1370531600.db2.gz VPIJMJIDMWYCFH-MRXNPFEDSA-N 2 1 341.927 3.020 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115562924 1370562992 /nfs/dbraw/zinc/56/29/92/1370562992.db2.gz LOCCZHCCQUHAAJ-GOSISDBHSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573191 1370576082 /nfs/dbraw/zinc/57/60/82/1370576082.db2.gz MGAWHOBLVBZHRO-IBGZPJMESA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611754 1370610809 /nfs/dbraw/zinc/61/08/09/1370610809.db2.gz VVILMVZXQGYUSX-GOSISDBHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115758847 1370741899 /nfs/dbraw/zinc/74/18/99/1370741899.db2.gz UTLNYDIFLLROLP-UHFFFAOYSA-N 2 1 346.519 3.381 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205586153 1370801155 /nfs/dbraw/zinc/80/11/55/1370801155.db2.gz OHNBURZOBRVMEO-UHFFFAOYSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206473889 1371065595 /nfs/dbraw/zinc/06/55/95/1371065595.db2.gz BMVUEMYVNFFCDS-UHFFFAOYSA-N 2 1 346.519 3.191 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001206871410 1371198260 /nfs/dbraw/zinc/19/82/60/1371198260.db2.gz KMQYDFWZHLEFSI-LJQANCHMSA-N 2 1 337.552 3.127 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129513 1371604486 /nfs/dbraw/zinc/60/44/86/1371604486.db2.gz XGFSSRGJVATMDW-QWFCFKBJSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129513 1371604489 /nfs/dbraw/zinc/60/44/89/1371604489.db2.gz XGFSSRGJVATMDW-QWFCFKBJSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129513 1371604493 /nfs/dbraw/zinc/60/44/93/1371604493.db2.gz XGFSSRGJVATMDW-QWFCFKBJSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208186301 1371625711 /nfs/dbraw/zinc/62/57/11/1371625711.db2.gz HQQHEZZCXVORCV-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208330714 1371720358 /nfs/dbraw/zinc/72/03/58/1371720358.db2.gz CZLXIMOLSUHFOP-PMACEKPBSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208363101 1371735716 /nfs/dbraw/zinc/73/57/16/1371735716.db2.gz VOPHOWYSELHOPG-RBUKOAKNSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294949 1371926409 /nfs/dbraw/zinc/92/64/09/1371926409.db2.gz JGDLLZMYUFTIAF-FCOWATRHSA-N 2 1 347.547 3.234 20 30 EGEDMP N#Cc1ccc2c(c1)CC[N@@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940806 1371956175 /nfs/dbraw/zinc/95/61/75/1371956175.db2.gz GUFRVDYCVLTDER-HXUWFJFHSA-N 2 1 331.463 3.438 20 30 EGEDMP N#Cc1ccc2c(c1)CC[N@H+](C[C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940806 1371956178 /nfs/dbraw/zinc/95/61/78/1371956178.db2.gz GUFRVDYCVLTDER-HXUWFJFHSA-N 2 1 331.463 3.438 20 30 EGEDMP N#Cc1ccc2c(c1)CC[NH+](C[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208940806 1371956181 /nfs/dbraw/zinc/95/61/81/1371956181.db2.gz GUFRVDYCVLTDER-HXUWFJFHSA-N 2 1 331.463 3.438 20 30 EGEDMP N#Cc1ccc2c(c1)CC[NH+](C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208940806 1371956185 /nfs/dbraw/zinc/95/61/85/1371956185.db2.gz GUFRVDYCVLTDER-HXUWFJFHSA-N 2 1 331.463 3.438 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001121616669 1372026740 /nfs/dbraw/zinc/02/67/40/1372026740.db2.gz NXHDPPNVPRHCLS-GGQJKKPXSA-N 2 1 347.547 3.092 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121860530 1372105679 /nfs/dbraw/zinc/10/56/79/1372105679.db2.gz MPGRQJHSLIGQLF-MBEFBZSESA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001121978398 1372142622 /nfs/dbraw/zinc/14/26/22/1372142622.db2.gz NPXNKUOUXONVLY-SXLOBPIMSA-N 2 1 343.515 3.087 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212359 1375212503 /nfs/dbraw/zinc/21/25/03/1375212503.db2.gz XDPJDHDNVRNQAE-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335181 1375314233 /nfs/dbraw/zinc/31/42/33/1375314233.db2.gz KPQLERXJIVIUJR-QZTJIDSGSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335181 1375314235 /nfs/dbraw/zinc/31/42/35/1375314235.db2.gz KPQLERXJIVIUJR-QZTJIDSGSA-N 2 1 346.519 3.332 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011782 1375709538 /nfs/dbraw/zinc/70/95/38/1375709538.db2.gz MEWMPDGXJXMOFP-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011781 1375709549 /nfs/dbraw/zinc/70/95/49/1375709549.db2.gz MEWMPDGXJXMOFP-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141393 1375802579 /nfs/dbraw/zinc/80/25/79/1375802579.db2.gz CXMZCNGIQFSTPO-MSOLQXFVSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165429 1375819100 /nfs/dbraw/zinc/81/91/00/1375819100.db2.gz GUUUOMGNWRADKP-MJGOQNOKSA-N 2 1 346.519 3.012 20 30 EGEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001232927882 1376539427 /nfs/dbraw/zinc/53/94/27/1376539427.db2.gz JRBXAQINKMWXOD-WOJBJXKFSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001232927882 1376539430 /nfs/dbraw/zinc/53/94/30/1376539430.db2.gz JRBXAQINKMWXOD-WOJBJXKFSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001232927882 1376539433 /nfs/dbraw/zinc/53/94/33/1376539433.db2.gz JRBXAQINKMWXOD-WOJBJXKFSA-N 2 1 346.478 3.297 20 30 EGEDMP Cc1cc(C#N)ccc1CN1CCC[C@@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001233079776 1376564307 /nfs/dbraw/zinc/56/43/07/1376564307.db2.gz NEYMWWKGTROPTL-NRFANRHFSA-N 2 1 341.499 3.190 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001233079776 1376564310 /nfs/dbraw/zinc/56/43/10/1376564310.db2.gz NEYMWWKGTROPTL-NRFANRHFSA-N 2 1 341.499 3.190 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001233079776 1376564314 /nfs/dbraw/zinc/56/43/14/1376564314.db2.gz NEYMWWKGTROPTL-NRFANRHFSA-N 2 1 341.499 3.190 20 30 EGEDMP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608624 1376623521 /nfs/dbraw/zinc/62/35/21/1376623521.db2.gz XYYQQDZDHROZCK-IAGOWNOFSA-N 2 1 325.541 3.314 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@@H](C3C[NH2+]C3)C2)cc1 ZINC001235339089 1376868200 /nfs/dbraw/zinc/86/82/00/1376868200.db2.gz CQUZSFQEAHQZDZ-LJQANCHMSA-N 2 1 346.478 3.367 20 30 EGEDMP N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140806551 1378146614 /nfs/dbraw/zinc/14/66/14/1378146614.db2.gz MYXOUHMACGJWRT-SFHVURJKSA-N 2 1 332.407 3.478 20 30 EGEDMP N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140806551 1378146619 /nfs/dbraw/zinc/14/66/19/1378146619.db2.gz MYXOUHMACGJWRT-SFHVURJKSA-N 2 1 332.407 3.478 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428552 1380575075 /nfs/dbraw/zinc/57/50/75/1380575075.db2.gz RPWGCPYXLXRWFK-QGZVFWFLSA-N 2 1 346.519 3.334 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001157241313 1380821667 /nfs/dbraw/zinc/82/16/67/1380821667.db2.gz GPLUSNWGDBEUFV-MRXNPFEDSA-N 2 1 335.492 3.138 20 30 EGEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001158060147 1381117018 /nfs/dbraw/zinc/11/70/18/1381117018.db2.gz GYDAYCSKZROMOR-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158060147 1381117025 /nfs/dbraw/zinc/11/70/25/1381117025.db2.gz GYDAYCSKZROMOR-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001158060147 1381117028 /nfs/dbraw/zinc/11/70/28/1381117028.db2.gz GYDAYCSKZROMOR-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001158396616 1381229614 /nfs/dbraw/zinc/22/96/14/1381229614.db2.gz DEZYIKPHENLVAW-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158396616 1381229620 /nfs/dbraw/zinc/22/96/20/1381229620.db2.gz DEZYIKPHENLVAW-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158396616 1381229623 /nfs/dbraw/zinc/22/96/23/1381229623.db2.gz DEZYIKPHENLVAW-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169509 1382023191 /nfs/dbraw/zinc/02/31/91/1382023191.db2.gz TUUAGORTNRLBPD-QGZVFWFLSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169509 1382023195 /nfs/dbraw/zinc/02/31/95/1382023195.db2.gz TUUAGORTNRLBPD-QGZVFWFLSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCCCCC[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001161158362 1382319326 /nfs/dbraw/zinc/31/93/26/1382319326.db2.gz GBRAAKFITCCPBL-IBGZPJMESA-N 2 1 331.504 3.041 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207003 1382340848 /nfs/dbraw/zinc/34/08/48/1382340848.db2.gz OONQUWUWRUXXOV-ICSRJNTNSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207003 1382340852 /nfs/dbraw/zinc/34/08/52/1382340852.db2.gz OONQUWUWRUXXOV-ICSRJNTNSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207003 1382340855 /nfs/dbraw/zinc/34/08/55/1382340855.db2.gz OONQUWUWRUXXOV-ICSRJNTNSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492542 1382421987 /nfs/dbraw/zinc/42/19/87/1382421987.db2.gz ZJGUWQPEASJHKY-HXUWFJFHSA-N 2 1 349.563 3.457 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161518528 1382428886 /nfs/dbraw/zinc/42/88/86/1382428886.db2.gz GKUCZIYBLUQXHV-UHFFFAOYSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCC[NH+]2CCN(C)CC2)cc1 ZINC001161710244 1382486875 /nfs/dbraw/zinc/48/68/75/1382486875.db2.gz AUDIOQPGNAVZET-NRFANRHFSA-N 2 1 342.531 3.059 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCCCN2CC[NH+](C)CC2)cc1 ZINC001161710244 1382486876 /nfs/dbraw/zinc/48/68/76/1382486876.db2.gz AUDIOQPGNAVZET-NRFANRHFSA-N 2 1 342.531 3.059 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NCCCN2CC[NH+](C)CC2)cc1 ZINC001161710244 1382486877 /nfs/dbraw/zinc/48/68/77/1382486877.db2.gz AUDIOQPGNAVZET-NRFANRHFSA-N 2 1 342.531 3.059 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161951998 1382567913 /nfs/dbraw/zinc/56/79/13/1382567913.db2.gz ADKLUTWXIZDGPH-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001163177399 1382985210 /nfs/dbraw/zinc/98/52/10/1382985210.db2.gz HFZRJGRIUCVSSG-PBASOCQRSA-N 2 1 341.499 3.046 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164583138 1383201744 /nfs/dbraw/zinc/20/17/44/1383201744.db2.gz UTVKECRNCJMVCS-RBUKOAKNSA-N 2 1 349.563 3.339 20 30 EGEDMP COC1CC[NH+](C2CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)CC1 ZINC001171232709 1384475419 /nfs/dbraw/zinc/47/54/19/1384475419.db2.gz VLSWJDLVZAYPME-QGZVFWFLSA-N 2 1 341.499 3.064 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171647189 1384592091 /nfs/dbraw/zinc/59/20/91/1384592091.db2.gz TVSNJHCPHOXQTK-RBUKOAKNSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172072170 1384717776 /nfs/dbraw/zinc/71/77/76/1384717776.db2.gz HUFKDHBWXPBPPS-ZBYYUNFXSA-N 2 1 339.527 3.376 20 30 EGEDMP C=CC[NH+]1CCN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172072170 1384717778 /nfs/dbraw/zinc/71/77/78/1384717778.db2.gz HUFKDHBWXPBPPS-ZBYYUNFXSA-N 2 1 339.527 3.376 20 30 EGEDMP COCCC[NH+]1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001172256211 1384756863 /nfs/dbraw/zinc/75/68/63/1384756863.db2.gz SEKZUDUASLBZTB-UHFFFAOYSA-N 2 1 341.499 3.239 20 30 EGEDMP Cc1cc(N([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001172311329 1384766338 /nfs/dbraw/zinc/76/63/38/1384766338.db2.gz BQTWHOKQGUIKLC-INIZCTEOSA-N 2 1 349.482 3.155 20 30 EGEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882637 1385164850 /nfs/dbraw/zinc/16/48/50/1385164850.db2.gz VERGLPLWOQYRAB-AZUAARDMSA-N 2 1 347.547 3.071 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344613 1385922578 /nfs/dbraw/zinc/92/25/78/1385922578.db2.gz MZQVSUKKLCJHSE-UHFFFAOYSA-N 2 1 333.520 3.185 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344613 1385922579 /nfs/dbraw/zinc/92/25/79/1385922579.db2.gz MZQVSUKKLCJHSE-UHFFFAOYSA-N 2 1 333.520 3.185 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001177349139 1385924223 /nfs/dbraw/zinc/92/42/23/1385924223.db2.gz ZFKFGUNIGMVYCG-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001177394510 1385941750 /nfs/dbraw/zinc/94/17/50/1385941750.db2.gz HVGRENPJKCTICJ-ICSRJNTNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178915481 1386348036 /nfs/dbraw/zinc/34/80/36/1386348036.db2.gz MPCQMIPSSXFZRQ-QGZVFWFLSA-N 2 1 343.943 3.126 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925393 1386350796 /nfs/dbraw/zinc/35/07/96/1386350796.db2.gz GQDUCJVKUABMAW-FHWLQOOXSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001180035733 1386676464 /nfs/dbraw/zinc/67/64/64/1386676464.db2.gz QCCDSBNVGMPOAY-LJQANCHMSA-N 2 1 337.552 3.483 20 30 EGEDMP CC[N@@H+](CCC[NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC001336783056 1389168050 /nfs/dbraw/zinc/16/80/50/1389168050.db2.gz FKARBHQQYYEDBI-FQEVSTJZSA-N 2 1 329.488 3.226 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001717378267 1421321674 /nfs/dbraw/zinc/32/16/74/1421321674.db2.gz UCKCSLIQZXCWAC-PMACEKPBSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001752432689 1440179241 /nfs/dbraw/zinc/17/92/41/1440179241.db2.gz WNZCFPOZWBQQLK-HKUYNNGSSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001752525280 1440192627 /nfs/dbraw/zinc/19/26/27/1440192627.db2.gz KPFIUQPOIJMRSE-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001752536492 1440194269 /nfs/dbraw/zinc/19/42/69/1440194269.db2.gz XGAZWXJGVFVRDN-SLFFLAALSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001752536492 1440194270 /nfs/dbraw/zinc/19/42/70/1440194270.db2.gz XGAZWXJGVFVRDN-SLFFLAALSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001752536492 1440194271 /nfs/dbraw/zinc/19/42/71/1440194271.db2.gz XGAZWXJGVFVRDN-SLFFLAALSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752841760 1440230956 /nfs/dbraw/zinc/23/09/56/1440230956.db2.gz UHVUUIKEDVHGIR-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753128823 1440315909 /nfs/dbraw/zinc/31/59/09/1440315909.db2.gz KMMAWXJFQVSWJF-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753128823 1440315910 /nfs/dbraw/zinc/31/59/10/1440315910.db2.gz KMMAWXJFQVSWJF-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753128823 1440315911 /nfs/dbraw/zinc/31/59/11/1440315911.db2.gz KMMAWXJFQVSWJF-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001753299393 1440353412 /nfs/dbraw/zinc/35/34/12/1440353412.db2.gz VWVTXVDIMLABSW-SLFFLAALSA-N 2 1 343.515 3.130 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001753459398 1440409859 /nfs/dbraw/zinc/40/98/59/1440409859.db2.gz MTKIOEFNAYDUMM-IBGZPJMESA-N 2 1 337.552 3.221 20 30 EGEDMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001753576044 1440439239 /nfs/dbraw/zinc/43/92/39/1440439239.db2.gz PHZNFEXQIMCQMN-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001754548664 1440628922 /nfs/dbraw/zinc/62/89/22/1440628922.db2.gz ZXRXBSFGFNELBG-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001754548664 1440628923 /nfs/dbraw/zinc/62/89/23/1440628923.db2.gz ZXRXBSFGFNELBG-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001754548664 1440628924 /nfs/dbraw/zinc/62/89/24/1440628924.db2.gz ZXRXBSFGFNELBG-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001755176254 1440770755 /nfs/dbraw/zinc/77/07/55/1440770755.db2.gz ZFIYRXVEOAZSIB-UHFFFAOYSA-N 2 1 349.563 3.245 20 30 EGEDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc(C#N)c3)CC2)nc(C)[nH+]1 ZINC000181862758 234358177 /nfs/dbraw/zinc/35/81/77/234358177.db2.gz RVEPQKMLUVCCNZ-HNNXBMFYSA-N 2 1 335.455 3.285 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000122036320 222001532 /nfs/dbraw/zinc/00/15/32/222001532.db2.gz HHSIILWOKFLTBN-UHFFFAOYSA-N 2 1 329.488 3.129 20 30 EGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433106 267058512 /nfs/dbraw/zinc/05/85/12/267058512.db2.gz AFLMYGUHDJLDJH-QGZVFWFLSA-N 2 1 335.879 3.144 20 30 EGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433106 267058515 /nfs/dbraw/zinc/05/85/15/267058515.db2.gz AFLMYGUHDJLDJH-QGZVFWFLSA-N 2 1 335.879 3.144 20 30 EGEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cn1 ZINC000563356417 316005727 /nfs/dbraw/zinc/00/57/27/316005727.db2.gz SBSWJFBIDCJCGR-UHFFFAOYSA-N 2 1 335.455 3.087 20 30 EGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576283168 324582822 /nfs/dbraw/zinc/58/28/22/324582822.db2.gz FMZXFFFJIQJTKC-ZWKOTPCHSA-N 2 1 344.459 3.457 20 30 EGEDMP C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCCn1ccnc1 ZINC000181109907 455289058 /nfs/dbraw/zinc/28/90/58/455289058.db2.gz XDJXVSKBDVBVSZ-UHFFFAOYSA-N 2 1 337.345 3.155 20 30 EGEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000174274980 455375536 /nfs/dbraw/zinc/37/55/36/455375536.db2.gz KMSOZXXHQVGBAI-UHFFFAOYSA-N 2 1 342.531 3.244 20 30 EGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000134549827 454559794 /nfs/dbraw/zinc/55/97/94/454559794.db2.gz SULKEXALXYRLBB-SWLSCSKDSA-N 2 1 340.874 3.175 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104154984 454576550 /nfs/dbraw/zinc/57/65/50/454576550.db2.gz HZDCXLRHKZKRCG-QGZVFWFLSA-N 2 1 326.444 3.406 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104154982 454576597 /nfs/dbraw/zinc/57/65/97/454576597.db2.gz HZDCXLRHKZKRCG-KRWDZBQOSA-N 2 1 326.444 3.406 20 30 EGEDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000135217580 454648445 /nfs/dbraw/zinc/64/84/45/454648445.db2.gz MLRRCRHILBKALL-APWZRJJASA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000135217580 454648448 /nfs/dbraw/zinc/64/84/48/454648448.db2.gz MLRRCRHILBKALL-APWZRJJASA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000135217580 454648451 /nfs/dbraw/zinc/64/84/51/454648451.db2.gz MLRRCRHILBKALL-APWZRJJASA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000135217580 454648452 /nfs/dbraw/zinc/64/84/52/454648452.db2.gz MLRRCRHILBKALL-APWZRJJASA-N 2 1 325.456 3.016 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000106245663 454687725 /nfs/dbraw/zinc/68/77/25/454687725.db2.gz UEHXSHMGTLMDCF-NRFANRHFSA-N 2 1 344.499 3.375 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170911322 454998305 /nfs/dbraw/zinc/99/83/05/454998305.db2.gz UZSINDXVQUJWRE-INIZCTEOSA-N 2 1 337.471 3.240 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCSCC#N ZINC000184752083 455441181 /nfs/dbraw/zinc/44/11/81/455441181.db2.gz ZABJCDZZZHPDET-JJTKIYQPSA-N 2 1 331.529 3.379 20 30 EGEDMP COc1cc(C#N)ccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673335 455593797 /nfs/dbraw/zinc/59/37/97/455593797.db2.gz USDHMMPVQWYGSF-QAPCUYQASA-N 2 1 327.472 3.309 20 30 EGEDMP COc1cc(C#N)ccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673335 455593801 /nfs/dbraw/zinc/59/38/01/455593801.db2.gz USDHMMPVQWYGSF-QAPCUYQASA-N 2 1 327.472 3.309 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C ZINC000263251426 456116206 /nfs/dbraw/zinc/11/62/06/456116206.db2.gz OTSCYKJXPPVTNA-QGZVFWFLSA-N 2 1 326.444 3.460 20 30 EGEDMP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000289221426 456118091 /nfs/dbraw/zinc/11/80/91/456118091.db2.gz JIWIFGFIOJYQOS-SFHVURJKSA-N 2 1 334.463 3.178 20 30 EGEDMP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1 ZINC000289221426 456118097 /nfs/dbraw/zinc/11/80/97/456118097.db2.gz JIWIFGFIOJYQOS-SFHVURJKSA-N 2 1 334.463 3.178 20 30 EGEDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCCCC#N ZINC000290525670 456352887 /nfs/dbraw/zinc/35/28/87/456352887.db2.gz QHXJEBAJYIJKRI-SJLPKXTDSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCCCC#N ZINC000290525670 456352892 /nfs/dbraw/zinc/35/28/92/456352892.db2.gz QHXJEBAJYIJKRI-SJLPKXTDSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OCCCC#N ZINC000290525670 456352898 /nfs/dbraw/zinc/35/28/98/456352898.db2.gz QHXJEBAJYIJKRI-SJLPKXTDSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OCCCC#N ZINC000290525670 456352903 /nfs/dbraw/zinc/35/29/03/456352903.db2.gz QHXJEBAJYIJKRI-SJLPKXTDSA-N 2 1 345.487 3.150 20 30 EGEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cn1 ZINC000303883513 456492915 /nfs/dbraw/zinc/49/29/15/456492915.db2.gz IPUGFGDXPNNDLT-UHFFFAOYSA-N 2 1 334.427 3.119 20 30 EGEDMP C=CCOCCC[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338633996 456846477 /nfs/dbraw/zinc/84/64/77/456846477.db2.gz ULCXVMJTCZRYRL-MRXNPFEDSA-N 2 1 335.517 3.022 20 30 EGEDMP C=CCOCCC[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338633996 456846480 /nfs/dbraw/zinc/84/64/80/456846480.db2.gz ULCXVMJTCZRYRL-MRXNPFEDSA-N 2 1 335.517 3.022 20 30 EGEDMP C=CCOCCC[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338633995 456846581 /nfs/dbraw/zinc/84/65/81/456846581.db2.gz ULCXVMJTCZRYRL-INIZCTEOSA-N 2 1 335.517 3.022 20 30 EGEDMP C=CCOCCC[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338633995 456846586 /nfs/dbraw/zinc/84/65/86/456846586.db2.gz ULCXVMJTCZRYRL-INIZCTEOSA-N 2 1 335.517 3.022 20 30 EGEDMP CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCCN1C1CC1)C2 ZINC000330204000 457002789 /nfs/dbraw/zinc/00/27/89/457002789.db2.gz BGXBRHQLJSVPEF-DZGCQCFKSA-N 2 1 330.476 3.079 20 30 EGEDMP Cc1cc(NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C#N)cn1 ZINC000425227649 457464860 /nfs/dbraw/zinc/46/48/60/457464860.db2.gz RVQVLWIMXLHSRN-HNNXBMFYSA-N 2 1 326.469 3.069 20 30 EGEDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(OCCCC#N)c2)CC1 ZINC000364945301 457719192 /nfs/dbraw/zinc/71/91/92/457719192.db2.gz CEXCYTGHUNVAJZ-UHFFFAOYSA-N 2 1 327.472 3.429 20 30 EGEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000371295708 457853397 /nfs/dbraw/zinc/85/33/97/457853397.db2.gz UNNSSUHLAFVGDH-RLLQIKCJSA-N 2 1 341.499 3.171 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369701815 458319658 /nfs/dbraw/zinc/31/96/58/458319658.db2.gz GHLWSFZQHNAGCR-QGZVFWFLSA-N 2 1 327.472 3.285 20 30 EGEDMP CN(c1ccccc1C[NH2+]CC1(C#N)CCC1)C1CC[NH+](C)CC1 ZINC000418138678 458371696 /nfs/dbraw/zinc/37/16/96/458371696.db2.gz GVXJDBYDCPJRFC-UHFFFAOYSA-N 2 1 326.488 3.000 20 30 EGEDMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2C1 ZINC000424163963 458575508 /nfs/dbraw/zinc/57/55/08/458575508.db2.gz YKCXHHGMAWAMCL-KRWDZBQOSA-N 2 1 328.460 3.008 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559754407 459275445 /nfs/dbraw/zinc/27/54/45/459275445.db2.gz ZRFZIMPAKSKEIO-SFTDATJTSA-N 2 1 327.516 3.452 20 30 EGEDMP Cc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000487889000 459535928 /nfs/dbraw/zinc/53/59/28/459535928.db2.gz OMJHZDQNOQGXBZ-HDICACEKSA-N 2 1 341.499 3.188 20 30 EGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612857 459963283 /nfs/dbraw/zinc/96/32/83/459963283.db2.gz CFYMXXOGVXPGTP-DLBZAZTESA-N 2 1 349.544 3.111 20 30 EGEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612857 459963287 /nfs/dbraw/zinc/96/32/87/459963287.db2.gz CFYMXXOGVXPGTP-DLBZAZTESA-N 2 1 349.544 3.111 20 30 EGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612857 459963294 /nfs/dbraw/zinc/96/32/94/459963294.db2.gz CFYMXXOGVXPGTP-DLBZAZTESA-N 2 1 349.544 3.111 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000602503894 459972181 /nfs/dbraw/zinc/97/21/81/459972181.db2.gz OBBZXFRJHLIGGL-SFHVURJKSA-N 2 1 341.499 3.340 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700524 459998562 /nfs/dbraw/zinc/99/85/62/459998562.db2.gz OLHQHERIDBPCOM-YLJYHZDGSA-N 2 1 343.515 3.309 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1O ZINC000647543737 461758686 /nfs/dbraw/zinc/75/86/86/461758686.db2.gz ROEPYIKEMAEVGK-MOPGFXCFSA-N 2 1 344.499 3.341 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000191509164 528866786 /nfs/dbraw/zinc/86/67/86/528866786.db2.gz OBXSNRFGLXNJJJ-UHFFFAOYSA-N 2 1 326.444 3.238 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000191509164 528866792 /nfs/dbraw/zinc/86/67/92/528866792.db2.gz OBXSNRFGLXNJJJ-UHFFFAOYSA-N 2 1 326.444 3.238 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](C3CCCC3)CC1)C2 ZINC000329528248 547500683 /nfs/dbraw/zinc/50/06/83/547500683.db2.gz SMUBOFLFBKTWGG-HNNXBMFYSA-N 2 1 330.476 3.117 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000089631856 1292773587 /nfs/dbraw/zinc/77/35/87/1292773587.db2.gz LQHFFWHNCDQZST-RCCFBDPRSA-N 2 1 343.471 3.093 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000089631856 1292773592 /nfs/dbraw/zinc/77/35/92/1292773592.db2.gz LQHFFWHNCDQZST-RCCFBDPRSA-N 2 1 343.471 3.093 20 30 EGEDMP CCC[N@H+]1CC[C@@H](CNCc2cc(C#N)ccc2Br)C1 ZINC000921582091 1322358082 /nfs/dbraw/zinc/35/80/82/1322358082.db2.gz QCTFOGSFRACEIN-AWEZNQCLSA-N 2 1 336.277 3.142 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(O)c(OC)c1 ZINC000246563341 1296360909 /nfs/dbraw/zinc/36/09/09/1296360909.db2.gz LSJQHBFGMQKFHZ-SJLPKXTDSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c(OC)c1 ZINC000246563341 1296360918 /nfs/dbraw/zinc/36/09/18/1296360918.db2.gz LSJQHBFGMQKFHZ-SJLPKXTDSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(O)c(OC)c1 ZINC000246563341 1296360930 /nfs/dbraw/zinc/36/09/30/1296360930.db2.gz LSJQHBFGMQKFHZ-SJLPKXTDSA-N 2 1 330.472 3.045 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303887899 1296867914 /nfs/dbraw/zinc/86/79/14/1296867914.db2.gz OOIJRVLVEXFATL-INIZCTEOSA-N 2 1 336.483 3.422 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303887899 1296867933 /nfs/dbraw/zinc/86/79/33/1296867933.db2.gz OOIJRVLVEXFATL-INIZCTEOSA-N 2 1 336.483 3.422 20 30 EGEDMP COc1ccc(OC)c(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303885249 1296869411 /nfs/dbraw/zinc/86/94/11/1296869411.db2.gz JOGFDXJJCWVFHG-OAHLLOKOSA-N 2 1 348.491 3.085 20 30 EGEDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000303901094 1296875891 /nfs/dbraw/zinc/87/58/91/1296875891.db2.gz XDJLCQWHJMLOSA-HNNXBMFYSA-N 2 1 328.504 3.412 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000303911723 1296880858 /nfs/dbraw/zinc/88/08/58/1296880858.db2.gz ZTUVHEPVABJABY-OLZOCXBDSA-N 2 1 338.883 3.196 20 30 EGEDMP CC[C@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000305034504 1296954437 /nfs/dbraw/zinc/95/44/37/1296954437.db2.gz SBJVFCXUMIXQHV-FUHWJXTLSA-N 2 1 346.519 3.061 20 30 EGEDMP COc1cccc([C@@H](CNC(=[NH2+])N2CCCCCC2)[NH+]2CCCC2)c1 ZINC000305076130 1296969345 /nfs/dbraw/zinc/96/93/45/1296969345.db2.gz QMZYVORUFKCHQB-LJQANCHMSA-N 2 1 344.503 3.023 20 30 EGEDMP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305704654 1297027818 /nfs/dbraw/zinc/02/78/18/1297027818.db2.gz VMNCZBUWMFVTNE-CJNGLKHVSA-N 2 1 340.874 3.176 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985879 1310541137 /nfs/dbraw/zinc/54/11/37/1310541137.db2.gz SYMFBOCLILIOOG-UHFFFAOYSA-N 2 1 326.488 3.143 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CCc3cnc[nH]3)CC2)CC1 ZINC000957560393 1317457819 /nfs/dbraw/zinc/45/78/19/1317457819.db2.gz YCOPHKYBSWAPMN-UHFFFAOYSA-N 2 1 344.503 3.013 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431683 1324269325 /nfs/dbraw/zinc/26/93/25/1324269325.db2.gz BOORYVLPLHXERK-HOTGVXAUSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475310 1324320761 /nfs/dbraw/zinc/32/07/61/1324320761.db2.gz SPGXZKBHAZBWSR-WMZOPIPTSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945031334 1332482010 /nfs/dbraw/zinc/48/20/10/1332482010.db2.gz ZVKAMCITCVZWSK-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945338305 1332560889 /nfs/dbraw/zinc/56/08/89/1332560889.db2.gz ZSZRSNHTSNPTBZ-AEFFLSMTSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC000947361044 1333102986 /nfs/dbraw/zinc/10/29/86/1333102986.db2.gz LHUUDSYCBUBDJQ-DOTOQJQBSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829820 1333701676 /nfs/dbraw/zinc/70/16/76/1333701676.db2.gz XDUYCHLZXJIHOV-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674929 1336006135 /nfs/dbraw/zinc/00/61/35/1336006135.db2.gz WADVDMZNILIWQG-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118513 1336149876 /nfs/dbraw/zinc/14/98/76/1336149876.db2.gz QVHSBYDDYQCBSV-QGZVFWFLSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118513 1336149879 /nfs/dbraw/zinc/14/98/79/1336149879.db2.gz QVHSBYDDYQCBSV-QGZVFWFLSA-N 2 1 344.503 3.088 20 30 EGEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006280229 1336481165 /nfs/dbraw/zinc/48/11/65/1336481165.db2.gz WTIGGQFZDAVHFW-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702939 1338696130 /nfs/dbraw/zinc/69/61/30/1338696130.db2.gz SXKSBERLFRUJMQ-OALUTQOASA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034480286 1342537920 /nfs/dbraw/zinc/53/79/20/1342537920.db2.gz HHVNOQIOGVVIHE-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034480286 1342537924 /nfs/dbraw/zinc/53/79/24/1342537924.db2.gz HHVNOQIOGVVIHE-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034480286 1342537929 /nfs/dbraw/zinc/53/79/29/1342537929.db2.gz HHVNOQIOGVVIHE-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537653 1342594473 /nfs/dbraw/zinc/59/44/73/1342594473.db2.gz NASNUIPROMORLM-FQEVSTJZSA-N 2 1 343.515 3.299 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755223 1343676810 /nfs/dbraw/zinc/67/68/10/1343676810.db2.gz SPDJXAPXLMCPNC-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755223 1343676812 /nfs/dbraw/zinc/67/68/12/1343676812.db2.gz SPDJXAPXLMCPNC-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755223 1343676813 /nfs/dbraw/zinc/67/68/13/1343676813.db2.gz SPDJXAPXLMCPNC-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755224 1343677492 /nfs/dbraw/zinc/67/74/92/1343677492.db2.gz SPDJXAPXLMCPNC-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755224 1343677494 /nfs/dbraw/zinc/67/74/94/1343677494.db2.gz SPDJXAPXLMCPNC-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755224 1343677496 /nfs/dbraw/zinc/67/74/96/1343677496.db2.gz SPDJXAPXLMCPNC-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039383117 1345037614 /nfs/dbraw/zinc/03/76/14/1345037614.db2.gz VWZNNQRPHKLYHP-SJORKVTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1C[NH+](C)C ZINC001039383117 1345037621 /nfs/dbraw/zinc/03/76/21/1345037621.db2.gz VWZNNQRPHKLYHP-SJORKVTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001039422726 1345060889 /nfs/dbraw/zinc/06/08/89/1345060889.db2.gz MPLBGXSSKJAPRU-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422726 1345060894 /nfs/dbraw/zinc/06/08/94/1345060894.db2.gz MPLBGXSSKJAPRU-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422726 1345060898 /nfs/dbraw/zinc/06/08/98/1345060898.db2.gz MPLBGXSSKJAPRU-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039424037 1345061558 /nfs/dbraw/zinc/06/15/58/1345061558.db2.gz YPANWZUASAEFGU-ZCNNSNEGSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039424037 1345061560 /nfs/dbraw/zinc/06/15/60/1345061560.db2.gz YPANWZUASAEFGU-ZCNNSNEGSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039424037 1345061561 /nfs/dbraw/zinc/06/15/61/1345061561.db2.gz YPANWZUASAEFGU-ZCNNSNEGSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039448076 1345073124 /nfs/dbraw/zinc/07/31/24/1345073124.db2.gz VZRUTIBTKADCNG-AABGKKOBSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039448076 1345073127 /nfs/dbraw/zinc/07/31/27/1345073127.db2.gz VZRUTIBTKADCNG-AABGKKOBSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986181 1346827302 /nfs/dbraw/zinc/82/73/02/1346827302.db2.gz JICLJFSPRMVTTC-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986181 1346827305 /nfs/dbraw/zinc/82/73/05/1346827305.db2.gz JICLJFSPRMVTTC-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986181 1346827308 /nfs/dbraw/zinc/82/73/08/1346827308.db2.gz JICLJFSPRMVTTC-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700971 1357350162 /nfs/dbraw/zinc/35/01/62/1357350162.db2.gz REKVPAFPEDUVGX-WSTZPKSXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700971 1357350164 /nfs/dbraw/zinc/35/01/64/1357350164.db2.gz REKVPAFPEDUVGX-WSTZPKSXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700971 1357350168 /nfs/dbraw/zinc/35/01/68/1357350168.db2.gz REKVPAFPEDUVGX-WSTZPKSXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563660 1347911489 /nfs/dbraw/zinc/91/14/89/1347911489.db2.gz GNNOXOUOLQJFMC-RTBURBONSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563660 1347911492 /nfs/dbraw/zinc/91/14/92/1347911492.db2.gz GNNOXOUOLQJFMC-RTBURBONSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563660 1347911494 /nfs/dbraw/zinc/91/14/94/1347911494.db2.gz GNNOXOUOLQJFMC-RTBURBONSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762229 1348007220 /nfs/dbraw/zinc/00/72/20/1348007220.db2.gz OMDFCKIZXVDBMV-QZTJIDSGSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762229 1348007221 /nfs/dbraw/zinc/00/72/21/1348007221.db2.gz OMDFCKIZXVDBMV-QZTJIDSGSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049918811 1348112165 /nfs/dbraw/zinc/11/21/65/1348112165.db2.gz MRGKCGNIOGPELK-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446619 1348543338 /nfs/dbraw/zinc/54/33/38/1348543338.db2.gz MHLSURLQWXYHPS-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446619 1348543341 /nfs/dbraw/zinc/54/33/41/1348543341.db2.gz MHLSURLQWXYHPS-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446619 1348543344 /nfs/dbraw/zinc/54/33/44/1348543344.db2.gz MHLSURLQWXYHPS-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052516522 1348564269 /nfs/dbraw/zinc/56/42/69/1348564269.db2.gz PEJGJKSSDOTUCF-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516522 1348564271 /nfs/dbraw/zinc/56/42/71/1348564271.db2.gz PEJGJKSSDOTUCF-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516522 1348564272 /nfs/dbraw/zinc/56/42/72/1348564272.db2.gz PEJGJKSSDOTUCF-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088653 1348914404 /nfs/dbraw/zinc/91/44/04/1348914404.db2.gz YTPKRGGCTZWFSJ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088653 1348914407 /nfs/dbraw/zinc/91/44/07/1348914407.db2.gz YTPKRGGCTZWFSJ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088653 1348914410 /nfs/dbraw/zinc/91/44/10/1348914410.db2.gz YTPKRGGCTZWFSJ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001183129769 1387267234 /nfs/dbraw/zinc/26/72/34/1387267234.db2.gz YIFLAASSKZIETB-SFHLNBCPSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942352 1359264393 /nfs/dbraw/zinc/26/43/93/1359264393.db2.gz OULLLHVOHYWGJO-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327239 1359831649 /nfs/dbraw/zinc/83/16/49/1359831649.db2.gz IOICIZBTUPORDI-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569075 1359976695 /nfs/dbraw/zinc/97/66/95/1359976695.db2.gz GEFPFRMTXVKQOD-HBFSDRIKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569075 1359976696 /nfs/dbraw/zinc/97/66/96/1359976696.db2.gz GEFPFRMTXVKQOD-HBFSDRIKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569075 1359976700 /nfs/dbraw/zinc/97/67/00/1359976700.db2.gz GEFPFRMTXVKQOD-HBFSDRIKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445405 1360434433 /nfs/dbraw/zinc/43/44/33/1360434433.db2.gz HWMCYZPUJAPLJX-RTBURBONSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907792 1361484177 /nfs/dbraw/zinc/48/41/77/1361484177.db2.gz ZWFFEXCYLCVXDM-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907792 1361484179 /nfs/dbraw/zinc/48/41/79/1361484179.db2.gz ZWFFEXCYLCVXDM-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907792 1361484181 /nfs/dbraw/zinc/48/41/81/1361484181.db2.gz ZWFFEXCYLCVXDM-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891508 1387556021 /nfs/dbraw/zinc/55/60/21/1387556021.db2.gz HWRMOLZUEKUDSY-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099060016 1363600517 /nfs/dbraw/zinc/60/05/17/1363600517.db2.gz UUNSYEKPJNPWNP-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106279 1363625001 /nfs/dbraw/zinc/62/50/01/1363625001.db2.gz CPFANEPYGQXDDF-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106279 1363625003 /nfs/dbraw/zinc/62/50/03/1363625003.db2.gz CPFANEPYGQXDDF-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106279 1363625006 /nfs/dbraw/zinc/62/50/06/1363625006.db2.gz CPFANEPYGQXDDF-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099239472 1363708404 /nfs/dbraw/zinc/70/84/04/1363708404.db2.gz FEHNWTWXDPGTGV-QGZVFWFLSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239472 1363708407 /nfs/dbraw/zinc/70/84/07/1363708407.db2.gz FEHNWTWXDPGTGV-QGZVFWFLSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239472 1363708408 /nfs/dbraw/zinc/70/84/08/1363708408.db2.gz FEHNWTWXDPGTGV-QGZVFWFLSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251418 1363713882 /nfs/dbraw/zinc/71/38/82/1363713882.db2.gz JRRXIQHPPRREII-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251197 1363714178 /nfs/dbraw/zinc/71/41/78/1363714178.db2.gz HMUKVCVPFULZHE-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001099334542 1363756438 /nfs/dbraw/zinc/75/64/38/1363756438.db2.gz LVTDIXZOJCNARF-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099334542 1363756440 /nfs/dbraw/zinc/75/64/40/1363756440.db2.gz LVTDIXZOJCNARF-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001099334542 1363756442 /nfs/dbraw/zinc/75/64/42/1363756442.db2.gz LVTDIXZOJCNARF-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099355172 1363769234 /nfs/dbraw/zinc/76/92/34/1363769234.db2.gz YGMHFKQTCBUGRM-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100332361 1364082172 /nfs/dbraw/zinc/08/21/72/1364082172.db2.gz BLTJKUBMBWSIGP-XBMUEBEBSA-N 2 1 347.547 3.092 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021572 1364813753 /nfs/dbraw/zinc/81/37/53/1364813753.db2.gz SKYUVDMBVZUKHK-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021572 1364813758 /nfs/dbraw/zinc/81/37/58/1364813758.db2.gz SKYUVDMBVZUKHK-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021572 1364813760 /nfs/dbraw/zinc/81/37/60/1364813760.db2.gz SKYUVDMBVZUKHK-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001102595637 1365130211 /nfs/dbraw/zinc/13/02/11/1365130211.db2.gz RDFNUFJYKQMHQW-YLJYHZDGSA-N 2 1 343.515 3.012 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102781012 1365215176 /nfs/dbraw/zinc/21/51/76/1365215176.db2.gz ZOMOIYHRXRMJKS-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102781012 1365215178 /nfs/dbraw/zinc/21/51/78/1365215178.db2.gz ZOMOIYHRXRMJKS-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102781012 1365215180 /nfs/dbraw/zinc/21/51/80/1365215180.db2.gz ZOMOIYHRXRMJKS-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086851 1365374002 /nfs/dbraw/zinc/37/40/02/1365374002.db2.gz UCJBHMWUBDOYCZ-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086851 1365374004 /nfs/dbraw/zinc/37/40/04/1365374004.db2.gz UCJBHMWUBDOYCZ-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086851 1365374007 /nfs/dbraw/zinc/37/40/07/1365374007.db2.gz UCJBHMWUBDOYCZ-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360549 1365517061 /nfs/dbraw/zinc/51/70/61/1365517061.db2.gz JVEOYXDPTAUHMU-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360549 1365517064 /nfs/dbraw/zinc/51/70/64/1365517064.db2.gz JVEOYXDPTAUHMU-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360549 1365517067 /nfs/dbraw/zinc/51/70/67/1365517067.db2.gz JVEOYXDPTAUHMU-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732533 1365754215 /nfs/dbraw/zinc/75/42/15/1365754215.db2.gz FSBJYPZCFMBSGH-WOJBJXKFSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290542 1365977039 /nfs/dbraw/zinc/97/70/39/1365977039.db2.gz BUGQMGKOEMYQFA-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518073 1366505582 /nfs/dbraw/zinc/50/55/82/1366505582.db2.gz QHEANSGMPAZQFG-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001105563133 1366532334 /nfs/dbraw/zinc/53/23/34/1366532334.db2.gz FBGWXRWKPLABDK-GOSISDBHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563196 1366532842 /nfs/dbraw/zinc/53/28/42/1366532842.db2.gz GKUMPVYTVGDVIB-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109640711 1367258360 /nfs/dbraw/zinc/25/83/60/1367258360.db2.gz UTKJKOXADCDNES-KNJMJIDISA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001109640711 1367258364 /nfs/dbraw/zinc/25/83/64/1367258364.db2.gz UTKJKOXADCDNES-KNJMJIDISA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109640711 1367258368 /nfs/dbraw/zinc/25/83/68/1367258368.db2.gz UTKJKOXADCDNES-KNJMJIDISA-N 2 1 349.563 3.409 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481632 1367274506 /nfs/dbraw/zinc/27/45/06/1367274506.db2.gz YOAKXUPMZDLSKV-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109720233 1367292367 /nfs/dbraw/zinc/29/23/67/1367292367.db2.gz XLYOAXBUBWHAFG-QYZOEREBSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109720233 1367292374 /nfs/dbraw/zinc/29/23/74/1367292374.db2.gz XLYOAXBUBWHAFG-QYZOEREBSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109720233 1367292381 /nfs/dbraw/zinc/29/23/81/1367292381.db2.gz XLYOAXBUBWHAFG-QYZOEREBSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191082194 1367420500 /nfs/dbraw/zinc/42/05/00/1367420500.db2.gz VJHZIJSJFYEQOH-YJBOKZPZSA-N 2 1 340.471 3.144 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108734690 1367565678 /nfs/dbraw/zinc/56/56/78/1367565678.db2.gz WXMILPUBTYSJIU-NSHGMRRFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923031 1367640877 /nfs/dbraw/zinc/64/08/77/1367640877.db2.gz PSZZSZWFPVJBOW-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923031 1367640883 /nfs/dbraw/zinc/64/08/83/1367640883.db2.gz PSZZSZWFPVJBOW-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923031 1367640888 /nfs/dbraw/zinc/64/08/88/1367640888.db2.gz PSZZSZWFPVJBOW-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947753 1367646759 /nfs/dbraw/zinc/64/67/59/1367646759.db2.gz KOPPHBATHASDJU-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191947753 1367646764 /nfs/dbraw/zinc/64/67/64/1367646764.db2.gz KOPPHBATHASDJU-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191947753 1367646766 /nfs/dbraw/zinc/64/67/66/1367646766.db2.gz KOPPHBATHASDJU-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110550374 1367826232 /nfs/dbraw/zinc/82/62/32/1367826232.db2.gz OFLUCGUENFGLKO-YSTOQKLRSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110550374 1367826236 /nfs/dbraw/zinc/82/62/36/1367826236.db2.gz OFLUCGUENFGLKO-YSTOQKLRSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110550374 1367826242 /nfs/dbraw/zinc/82/62/42/1367826242.db2.gz OFLUCGUENFGLKO-YSTOQKLRSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425312 1368027551 /nfs/dbraw/zinc/02/75/51/1368027551.db2.gz VHAHBUABURLYGD-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193497710 1368046142 /nfs/dbraw/zinc/04/61/42/1368046142.db2.gz BCZSFCZGZPADKS-QGZVFWFLSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001195900302 1368512868 /nfs/dbraw/zinc/51/28/68/1368512868.db2.gz KMNWPHBYFRWRIV-ZWKOTPCHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900302 1368512873 /nfs/dbraw/zinc/51/28/73/1368512873.db2.gz KMNWPHBYFRWRIV-ZWKOTPCHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900302 1368512878 /nfs/dbraw/zinc/51/28/78/1368512878.db2.gz KMNWPHBYFRWRIV-ZWKOTPCHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136194 1368966391 /nfs/dbraw/zinc/96/63/91/1368966391.db2.gz JSJVKURMGGNYIE-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364336 1369017103 /nfs/dbraw/zinc/01/71/03/1369017103.db2.gz QPJVGNSSWZJXOX-LJQANCHMSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364336 1369017106 /nfs/dbraw/zinc/01/71/06/1369017106.db2.gz QPJVGNSSWZJXOX-LJQANCHMSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364336 1369017110 /nfs/dbraw/zinc/01/71/10/1369017110.db2.gz QPJVGNSSWZJXOX-LJQANCHMSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364336 1369017115 /nfs/dbraw/zinc/01/71/15/1369017115.db2.gz QPJVGNSSWZJXOX-LJQANCHMSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112965804 1369113622 /nfs/dbraw/zinc/11/36/22/1369113622.db2.gz ONPHVBNQSFUKDK-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001186605756 1387985205 /nfs/dbraw/zinc/98/52/05/1387985205.db2.gz TTZIVGVQRSNVDJ-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)CC1 ZINC001186605756 1387985209 /nfs/dbraw/zinc/98/52/09/1387985209.db2.gz TTZIVGVQRSNVDJ-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)CC1 ZINC001186605756 1387985213 /nfs/dbraw/zinc/98/52/13/1387985213.db2.gz TTZIVGVQRSNVDJ-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001201314564 1369516230 /nfs/dbraw/zinc/51/62/30/1369516230.db2.gz YBZOQGWFMSAJMJ-UHFFFAOYSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230660 1370033066 /nfs/dbraw/zinc/03/30/66/1370033066.db2.gz PGVDSLZTCKTKHC-OALUTQOASA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791690 1370266153 /nfs/dbraw/zinc/26/61/53/1370266153.db2.gz KDQHBWQXXWKLNB-QZTJIDSGSA-N 2 1 337.552 3.314 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115573035 1370575444 /nfs/dbraw/zinc/57/54/44/1370575444.db2.gz FEZJVAOKRMAXAW-SFHVURJKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579624 1370583585 /nfs/dbraw/zinc/58/35/85/1370583585.db2.gz XKOKDNOJRAJTHQ-MRXNPFEDSA-N 2 1 341.927 3.022 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688070 1370670796 /nfs/dbraw/zinc/67/07/96/1370670796.db2.gz JOILWPYPVLBHHX-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242806 1370692771 /nfs/dbraw/zinc/69/27/71/1370692771.db2.gz VQKCSKIXDJKTHK-MJGOQNOKSA-N 2 1 335.536 3.042 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)CC[C@H]1C[NH3+] ZINC001205617474 1370812734 /nfs/dbraw/zinc/81/27/34/1370812734.db2.gz KENVZLIQEPEHGC-OCCSQVGLSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206302425 1371015937 /nfs/dbraw/zinc/01/59/37/1371015937.db2.gz YNRZJLDGGHKNTL-QGZVFWFLSA-N 2 1 337.552 3.147 20 30 EGEDMP C[C@]1(C[NH3+])CCC[N@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC001206311352 1371018108 /nfs/dbraw/zinc/01/81/08/1371018108.db2.gz MYNJOIPJFCETAL-INIZCTEOSA-N 2 1 336.277 3.272 20 30 EGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC001206311352 1371018109 /nfs/dbraw/zinc/01/81/09/1371018109.db2.gz MYNJOIPJFCETAL-INIZCTEOSA-N 2 1 336.277 3.272 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207789586 1371505669 /nfs/dbraw/zinc/50/56/69/1371505669.db2.gz BHFWRMYAECCBNZ-ZRGWGRIASA-N 2 1 340.471 3.048 20 30 EGEDMP C=CCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120450619 1371581089 /nfs/dbraw/zinc/58/10/89/1371581089.db2.gz XFRJEGMNEXVARN-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450619 1371581092 /nfs/dbraw/zinc/58/10/92/1371581092.db2.gz XFRJEGMNEXVARN-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450619 1371581094 /nfs/dbraw/zinc/58/10/94/1371581094.db2.gz XFRJEGMNEXVARN-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208335666 1371723190 /nfs/dbraw/zinc/72/31/90/1371723190.db2.gz XVSRJZSETYKSMK-ROUUACIJSA-N 2 1 346.519 3.312 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208676956 1371858087 /nfs/dbraw/zinc/85/80/87/1371858087.db2.gz TUSJGFCIGPXSJX-QZTJIDSGSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208676956 1371858093 /nfs/dbraw/zinc/85/80/93/1371858093.db2.gz TUSJGFCIGPXSJX-QZTJIDSGSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208676956 1371858099 /nfs/dbraw/zinc/85/80/99/1371858099.db2.gz TUSJGFCIGPXSJX-QZTJIDSGSA-N 2 1 339.568 3.371 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121234293 1371902747 /nfs/dbraw/zinc/90/27/47/1371902747.db2.gz XAGMSIWWAYQERB-FCOWATRHSA-N 2 1 347.547 3.233 20 30 EGEDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208863132 1371923552 /nfs/dbraw/zinc/92/35/52/1371923552.db2.gz YENDUJKLLMODSW-OAQYLSRUSA-N 2 1 341.499 3.066 20 30 EGEDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208863132 1371923553 /nfs/dbraw/zinc/92/35/53/1371923553.db2.gz YENDUJKLLMODSW-OAQYLSRUSA-N 2 1 341.499 3.066 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001209134323 1372010062 /nfs/dbraw/zinc/01/00/62/1372010062.db2.gz NWXVJFWWYFRTOY-HSALFYBXSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477598 1372116590 /nfs/dbraw/zinc/11/65/90/1372116590.db2.gz GUGSNGXFXWWDQA-MBOZVWFJSA-N 2 1 343.515 3.153 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209566126 1372137885 /nfs/dbraw/zinc/13/78/85/1372137885.db2.gz PKNBDVYINWZKPX-CEXWTWQISA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209566126 1372137887 /nfs/dbraw/zinc/13/78/87/1372137887.db2.gz PKNBDVYINWZKPX-CEXWTWQISA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209566126 1372137890 /nfs/dbraw/zinc/13/78/90/1372137890.db2.gz PKNBDVYINWZKPX-CEXWTWQISA-N 2 1 337.552 3.290 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)CC[N@@H+](C)CC)C2)C1 ZINC001122024119 1372155235 /nfs/dbraw/zinc/15/52/35/1372155235.db2.gz XTANVTMPEOYEGM-UHFFFAOYSA-N 2 1 337.552 3.316 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211366660 1372541684 /nfs/dbraw/zinc/54/16/84/1372541684.db2.gz IJSQJHOWAKOMBO-QRVBRYPASA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211366660 1372541689 /nfs/dbraw/zinc/54/16/89/1372541689.db2.gz IJSQJHOWAKOMBO-QRVBRYPASA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001211366660 1372541693 /nfs/dbraw/zinc/54/16/93/1372541693.db2.gz IJSQJHOWAKOMBO-QRVBRYPASA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131821696 1373822183 /nfs/dbraw/zinc/82/21/83/1373822183.db2.gz CXRCSCQNACPRRW-UHFFFAOYSA-N 2 1 325.541 3.317 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001224187508 1375060274 /nfs/dbraw/zinc/06/02/74/1375060274.db2.gz RGUSYAHBBVNSER-UYAOXDASSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2ncc[nH]2)CC[C@H]1C ZINC001132030210 1375106693 /nfs/dbraw/zinc/10/66/93/1375106693.db2.gz SPGDZXHJMZODBI-IAGOWNOFSA-N 2 1 334.508 3.282 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549738 1375455325 /nfs/dbraw/zinc/45/53/25/1375455325.db2.gz YWIFDYRANUANQQ-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132942209 1375662650 /nfs/dbraw/zinc/66/26/50/1375662650.db2.gz YGNAPFRFBLOQAO-ZWKOTPCHSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141610 1375802571 /nfs/dbraw/zinc/80/25/71/1375802571.db2.gz FWDPBYVBXSEGQP-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133274543 1375888940 /nfs/dbraw/zinc/88/89/40/1375888940.db2.gz JUJHPCJGADTCOC-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230280396 1375982365 /nfs/dbraw/zinc/98/23/65/1375982365.db2.gz WHDIGOPHJKENDF-KURKYZTESA-N 2 1 349.906 3.059 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230280398 1375982441 /nfs/dbraw/zinc/98/24/41/1375982441.db2.gz WHDIGOPHJKENDF-KZNAEPCWSA-N 2 1 349.906 3.059 20 30 EGEDMP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476616 1377110834 /nfs/dbraw/zinc/11/08/34/1377110834.db2.gz LJGKZLNBBUBUDJ-ROUUACIJSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3occc3c2)CC1 ZINC001138825610 1377792792 /nfs/dbraw/zinc/79/27/92/1377792792.db2.gz CPLGHWVYVPSTOP-UHFFFAOYSA-N 2 1 339.483 3.224 20 30 EGEDMP COc1cc(C[N@H+](CCC#N)C2CCCC2)cc(C[NH+](C)C)c1O ZINC001139256984 1377857972 /nfs/dbraw/zinc/85/79/72/1377857972.db2.gz NTILGUAZSHOVNP-UHFFFAOYSA-N 2 1 331.460 3.121 20 30 EGEDMP COc1cc(C[N@@H+](CCC#N)C2CCCC2)cc(C[NH+](C)C)c1O ZINC001139256984 1377857976 /nfs/dbraw/zinc/85/79/76/1377857976.db2.gz NTILGUAZSHOVNP-UHFFFAOYSA-N 2 1 331.460 3.121 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144169652 1378691563 /nfs/dbraw/zinc/69/15/63/1378691563.db2.gz QEXXKBFJLGAFPB-RTWAWAEBSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144169652 1378691569 /nfs/dbraw/zinc/69/15/69/1378691569.db2.gz QEXXKBFJLGAFPB-RTWAWAEBSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144169652 1378691573 /nfs/dbraw/zinc/69/15/73/1378691573.db2.gz QEXXKBFJLGAFPB-RTWAWAEBSA-N 2 1 346.478 3.297 20 30 EGEDMP C=CCCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147986001 1379103170 /nfs/dbraw/zinc/10/31/70/1379103170.db2.gz LXADKRLPQAFSMW-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147986001 1379103171 /nfs/dbraw/zinc/10/31/71/1379103171.db2.gz LXADKRLPQAFSMW-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147986001 1379103172 /nfs/dbraw/zinc/10/31/72/1379103172.db2.gz LXADKRLPQAFSMW-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986286 1379103325 /nfs/dbraw/zinc/10/33/25/1379103325.db2.gz REMOMUWCKDBKML-SFHVURJKSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156384114 1380568792 /nfs/dbraw/zinc/56/87/92/1380568792.db2.gz XSTRSOGKPFRBEX-MSOLQXFVSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156384114 1380568793 /nfs/dbraw/zinc/56/87/93/1380568793.db2.gz XSTRSOGKPFRBEX-MSOLQXFVSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156384114 1380568794 /nfs/dbraw/zinc/56/87/94/1380568794.db2.gz XSTRSOGKPFRBEX-MSOLQXFVSA-N 2 1 325.541 3.125 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158540966 1381287948 /nfs/dbraw/zinc/28/79/48/1381287948.db2.gz NIMUEWLRZXWXHI-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158540966 1381287955 /nfs/dbraw/zinc/28/79/55/1381287955.db2.gz NIMUEWLRZXWXHI-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161219481 1382345649 /nfs/dbraw/zinc/34/56/49/1382345649.db2.gz HEKMSDWNUPJKRS-UHFFFAOYSA-N 2 1 335.536 3.069 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219481 1382345654 /nfs/dbraw/zinc/34/56/54/1382345654.db2.gz HEKMSDWNUPJKRS-UHFFFAOYSA-N 2 1 335.536 3.069 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219481 1382345660 /nfs/dbraw/zinc/34/56/60/1382345660.db2.gz HEKMSDWNUPJKRS-UHFFFAOYSA-N 2 1 335.536 3.069 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491093 1382420750 /nfs/dbraw/zinc/42/07/50/1382420750.db2.gz FYCGLEIYSOATOL-IBGZPJMESA-N 2 1 335.536 3.067 20 30 EGEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001161682981 1382480051 /nfs/dbraw/zinc/48/00/51/1382480051.db2.gz HAOHLIQNZRZWGB-UHFFFAOYSA-N 2 1 347.547 3.050 20 30 EGEDMP Cc1ccc(CC#N)c(N2CCC([NH3+])(Cc3ccccc3F)CC2)[nH+]1 ZINC001161990274 1382591411 /nfs/dbraw/zinc/59/14/11/1382591411.db2.gz NZBNBKMVVDGXCA-UHFFFAOYSA-N 2 1 338.430 3.136 20 30 EGEDMP CC(=NCc1cccc(C[NH3+])c1)Nc1ccc(C[N@H+](C)C2CC2)cn1 ZINC001163473090 1383059355 /nfs/dbraw/zinc/05/93/55/1383059355.db2.gz KPKRMRUBHZLFPT-UHFFFAOYSA-N 2 1 337.471 3.165 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687486 1383460643 /nfs/dbraw/zinc/46/06/43/1383460643.db2.gz TYRUMZNXONDKPW-IBGZPJMESA-N 2 1 341.515 3.041 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC[NH+]2CCSCC2)cc1 ZINC001167839674 1383756176 /nfs/dbraw/zinc/75/61/76/1383756176.db2.gz QXPDHYDNJAIUEP-LJQANCHMSA-N 2 1 331.529 3.470 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248675 1384478153 /nfs/dbraw/zinc/47/81/53/1384478153.db2.gz XRJLZDSPLGBBFI-MJGOQNOKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)C(=O)OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970842 1384699129 /nfs/dbraw/zinc/69/91/29/1384699129.db2.gz FJSCPTZETJFCIP-SFHVURJKSA-N 2 1 330.472 3.139 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172294379 1384762452 /nfs/dbraw/zinc/76/24/52/1384762452.db2.gz IWZSGKYJASXYLE-SFHVURJKSA-N 2 1 349.478 3.111 20 30 EGEDMP COC1CC[NH+](C2CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)CC1 ZINC001172312553 1384766844 /nfs/dbraw/zinc/76/68/44/1384766844.db2.gz GTDXWRCLCOJTKX-QGZVFWFLSA-N 2 1 341.499 3.064 20 30 EGEDMP CCCCCCCC[C@H](CC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172504106 1384806243 /nfs/dbraw/zinc/80/62/43/1384806243.db2.gz VBXXKMSZIQAUJE-SFHVURJKSA-N 2 1 325.541 3.269 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176760205 1385686695 /nfs/dbraw/zinc/68/66/95/1385686695.db2.gz RMYSXEBIYNBBJX-IEBWSBKVSA-N 2 1 331.504 3.130 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177415626 1385948671 /nfs/dbraw/zinc/94/86/71/1385948671.db2.gz GHNAVKGNNFGVAL-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001177416209 1385949626 /nfs/dbraw/zinc/94/96/26/1385949626.db2.gz VTUUSOAZXHAPNN-UHFFFAOYSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178689433 1386279031 /nfs/dbraw/zinc/27/90/31/1386279031.db2.gz XWYBCAARYAXWIX-LJQANCHMSA-N 2 1 337.552 3.197 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C\CCC ZINC001178722954 1386290095 /nfs/dbraw/zinc/29/00/95/1386290095.db2.gz XTRDXYYGZZAEDQ-HCZHMGAMSA-N 2 1 347.547 3.097 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C\CCC ZINC001178722954 1386290101 /nfs/dbraw/zinc/29/01/01/1386290101.db2.gz XTRDXYYGZZAEDQ-HCZHMGAMSA-N 2 1 347.547 3.097 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891373 1386340281 /nfs/dbraw/zinc/34/02/81/1386340281.db2.gz QAFGFLZWJIYXHG-OKZBNKHCSA-N 2 1 346.519 3.310 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181518513 1387008695 /nfs/dbraw/zinc/00/86/95/1387008695.db2.gz UWDQJNPABFXMBZ-MBOZVWFJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001733923868 1437737209 /nfs/dbraw/zinc/73/72/09/1437737209.db2.gz RCBBGCFVFCCWAS-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001752841720 1440230838 /nfs/dbraw/zinc/23/08/38/1440230838.db2.gz SPFNUHMBJQVEHX-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001752999691 1440263988 /nfs/dbraw/zinc/26/39/88/1440263988.db2.gz GDKJDBZTAMNEJU-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001753570127 1440438284 /nfs/dbraw/zinc/43/82/84/1440438284.db2.gz BXPIKZWTPWTFKK-VQTJNVASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC001753603122 1440447109 /nfs/dbraw/zinc/44/71/09/1440447109.db2.gz NQMHWQACDZEFSW-UHFFFAOYSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2 ZINC001753603122 1440447110 /nfs/dbraw/zinc/44/71/10/1440447110.db2.gz NQMHWQACDZEFSW-UHFFFAOYSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CC(C)(C)C)CC2 ZINC001753603122 1440447111 /nfs/dbraw/zinc/44/71/11/1440447111.db2.gz NQMHWQACDZEFSW-UHFFFAOYSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001753749823 1440482285 /nfs/dbraw/zinc/48/22/85/1440482285.db2.gz QVYKZBDEBIMEMB-OALUTQOASA-N 2 1 335.536 3.092 20 30 EGEDMP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001754344235 1440589376 /nfs/dbraw/zinc/58/93/76/1440589376.db2.gz BTHRCGBRIOGSTF-HKUYNNGSSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001754722025 1440673657 /nfs/dbraw/zinc/67/36/57/1440673657.db2.gz JFAVWGCWLJXJFN-SFHVURJKSA-N 2 1 337.552 3.127 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001754874170 1440706230 /nfs/dbraw/zinc/70/62/30/1440706230.db2.gz MXJCDDFMQRDDHJ-IYWMVGAKSA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001754874170 1440706231 /nfs/dbraw/zinc/70/62/31/1440706231.db2.gz MXJCDDFMQRDDHJ-IYWMVGAKSA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001754874170 1440706232 /nfs/dbraw/zinc/70/62/32/1440706232.db2.gz MXJCDDFMQRDDHJ-IYWMVGAKSA-N 2 1 349.563 3.220 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001755030922 1440731360 /nfs/dbraw/zinc/73/13/60/1440731360.db2.gz KIMDZVDFEAKZBT-UYAOXDASSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755034290 1440733276 /nfs/dbraw/zinc/73/32/76/1440733276.db2.gz OVBNCIDTQZXJKF-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142575 1440761220 /nfs/dbraw/zinc/76/12/20/1440761220.db2.gz BTKHJFVSRFOSQY-GOSISDBHSA-N 2 1 346.519 3.155 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142575 1440761221 /nfs/dbraw/zinc/76/12/21/1440761221.db2.gz BTKHJFVSRFOSQY-GOSISDBHSA-N 2 1 346.519 3.155 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001755143489 1440762042 /nfs/dbraw/zinc/76/20/42/1440762042.db2.gz JUEYKZFJLRFHNZ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001755143489 1440762043 /nfs/dbraw/zinc/76/20/43/1440762043.db2.gz JUEYKZFJLRFHNZ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001755143489 1440762044 /nfs/dbraw/zinc/76/20/44/1440762044.db2.gz JUEYKZFJLRFHNZ-ZWKOTPCHSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001755175949 1440770752 /nfs/dbraw/zinc/77/07/52/1440770752.db2.gz NVWRDDNVVLSGFQ-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001755452773 1440854353 /nfs/dbraw/zinc/85/43/53/1440854353.db2.gz SZTSLBWPLIKCGP-XUVXKRRUSA-N 2 1 347.547 3.045 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000344102873 164102962 /nfs/dbraw/zinc/10/29/62/164102962.db2.gz UPLQIMJDABZABU-QGZVFWFLSA-N 2 1 335.451 3.241 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000152011842 455061422 /nfs/dbraw/zinc/06/14/22/455061422.db2.gz RQUVPCGBNYWSTK-UHFFFAOYSA-N 2 1 328.435 3.346 20 30 EGEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264947844 455298413 /nfs/dbraw/zinc/29/84/13/455298413.db2.gz JOELYJFJICPPTH-UHFFFAOYSA-N 2 1 348.454 3.149 20 30 EGEDMP CCCCNC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267459763 455551722 /nfs/dbraw/zinc/55/17/22/455551722.db2.gz UPYVEVAWENEJQX-UHFFFAOYSA-N 2 1 328.460 3.116 20 30 EGEDMP CCCCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267459763 455551725 /nfs/dbraw/zinc/55/17/25/455551725.db2.gz UPYVEVAWENEJQX-UHFFFAOYSA-N 2 1 328.460 3.116 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000343742285 456771631 /nfs/dbraw/zinc/77/16/31/456771631.db2.gz UPVBDOCBMQRJNP-UHFFFAOYSA-N 2 1 343.515 3.323 20 30 EGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000348817056 456869574 /nfs/dbraw/zinc/86/95/74/456869574.db2.gz KBDMMGURWVKBKH-SFHVURJKSA-N 2 1 349.906 3.099 20 30 EGEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000329896316 456957328 /nfs/dbraw/zinc/95/73/28/456957328.db2.gz KUWJJOOCJWFPOO-HOTGVXAUSA-N 2 1 330.476 3.057 20 30 EGEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000329896316 456957332 /nfs/dbraw/zinc/95/73/32/456957332.db2.gz KUWJJOOCJWFPOO-HOTGVXAUSA-N 2 1 330.476 3.057 20 30 EGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000354033032 457022000 /nfs/dbraw/zinc/02/20/00/457022000.db2.gz HHKPTOOQUPLUMM-HDICACEKSA-N 2 1 341.499 3.270 20 30 EGEDMP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000358141408 457810959 /nfs/dbraw/zinc/81/09/59/457810959.db2.gz OWRJGFPPNABCMO-WBFXSEPVSA-N 2 1 339.483 3.465 20 30 EGEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000371295706 457853567 /nfs/dbraw/zinc/85/35/67/457853567.db2.gz UNNSSUHLAFVGDH-HOJAQTOUSA-N 2 1 341.499 3.171 20 30 EGEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000453373786 458526075 /nfs/dbraw/zinc/52/60/75/458526075.db2.gz WUXBCMDMHFHGTR-ONUIULTDSA-N 2 1 326.484 3.220 20 30 EGEDMP C[NH+]1CCN([C@H](C[NH2+]C2CCC(C)(C#N)CC2)c2cccs2)CC1 ZINC000573671932 459714740 /nfs/dbraw/zinc/71/47/40/459714740.db2.gz RWUPSYCXUPMBHC-TVRKMHQQSA-N 2 1 346.544 3.099 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700522 459998024 /nfs/dbraw/zinc/99/80/24/459998024.db2.gz OLHQHERIDBPCOM-XLIONFOSSA-N 2 1 343.515 3.309 20 30 EGEDMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2C1 ZINC000594437219 460219629 /nfs/dbraw/zinc/21/96/29/460219629.db2.gz JHAPSPPYHYTKQV-SFHVURJKSA-N 2 1 342.487 3.398 20 30 EGEDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807466 460468301 /nfs/dbraw/zinc/46/83/01/460468301.db2.gz MFJULNQREALRON-VGOFRKELSA-N 2 1 349.478 3.333 20 30 EGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000657969051 462332395 /nfs/dbraw/zinc/33/23/95/462332395.db2.gz IMKPJTOXKPYGSJ-UIFIKXQLSA-N 2 1 328.500 3.478 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccccc2C)CC1 ZINC000152949423 526604194 /nfs/dbraw/zinc/60/41/94/526604194.db2.gz CHYNWRFKGVVUDS-KRWDZBQOSA-N 2 1 329.488 3.342 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCOC)Cc2cccc(F)c2)CC1 ZINC000152957647 526605655 /nfs/dbraw/zinc/60/56/55/526605655.db2.gz DVZGMTUWQFCUNE-HXUWFJFHSA-N 2 1 334.479 3.403 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000152976044 526606991 /nfs/dbraw/zinc/60/69/91/526606991.db2.gz HUHUTWWDWSZXMW-QGZVFWFLSA-N 2 1 332.488 3.403 20 30 EGEDMP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000104191359 1293020409 /nfs/dbraw/zinc/02/04/09/1293020409.db2.gz KVGRYIQAKKITLH-QGZVFWFLSA-N 2 1 326.444 3.460 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1O ZINC000173492096 1294463715 /nfs/dbraw/zinc/46/37/15/1294463715.db2.gz AKOHUKOODOIFIY-MRXNPFEDSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1O ZINC000173492096 1294463716 /nfs/dbraw/zinc/46/37/16/1294463716.db2.gz AKOHUKOODOIFIY-MRXNPFEDSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1O ZINC000173492096 1294463718 /nfs/dbraw/zinc/46/37/18/1294463718.db2.gz AKOHUKOODOIFIY-MRXNPFEDSA-N 2 1 332.488 3.293 20 30 EGEDMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(O[C@@H](C#N)CC)c2)CC1 ZINC000183257052 1295106887 /nfs/dbraw/zinc/10/68/87/1295106887.db2.gz XACICGQVSILYPI-GOSISDBHSA-N 2 1 345.487 3.340 20 30 EGEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CCC2 ZINC000195290950 1296054493 /nfs/dbraw/zinc/05/44/93/1296054493.db2.gz ZZLQUPWNSRVEKQ-GOSISDBHSA-N 2 1 348.494 3.424 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303779576 1296852972 /nfs/dbraw/zinc/85/29/72/1296852972.db2.gz KQUTYCQBAUCNTI-INIZCTEOSA-N 2 1 332.492 3.465 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000303898815 1296873491 /nfs/dbraw/zinc/87/34/91/1296873491.db2.gz RFCDZOVLLAFNTN-HNNXBMFYSA-N 2 1 348.491 3.085 20 30 EGEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2cccc(OC)c2)c1 ZINC000303902608 1296875717 /nfs/dbraw/zinc/87/57/17/1296875717.db2.gz XYEJWSQUPAECKY-UHFFFAOYSA-N 2 1 326.444 3.074 20 30 EGEDMP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311739121 1297110458 /nfs/dbraw/zinc/11/04/58/1297110458.db2.gz AZYYRGUFAMMQDX-HSQYWUDLSA-N 2 1 349.478 3.092 20 30 EGEDMP C#C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000796949613 1310114286 /nfs/dbraw/zinc/11/42/86/1310114286.db2.gz QOXMQROUMFBYPW-TZWRJOPASA-N 2 1 326.484 3.200 20 30 EGEDMP C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000904552518 1317862195 /nfs/dbraw/zinc/86/21/95/1317862195.db2.gz OTNGHTDJOILIJL-MRXNPFEDSA-N 2 1 330.432 3.033 20 30 EGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000818960859 1319591778 /nfs/dbraw/zinc/59/17/78/1319591778.db2.gz JZRZFDDDHGGYEO-NRFANRHFSA-N 2 1 337.467 3.222 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247777 1324047647 /nfs/dbraw/zinc/04/76/47/1324047647.db2.gz QBMQWRVVEGLYEP-RBUKOAKNSA-N 2 1 345.531 3.036 20 30 EGEDMP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025264499 1324076875 /nfs/dbraw/zinc/07/68/75/1324076875.db2.gz ARSUSDDCLIJFLG-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025264499 1324076885 /nfs/dbraw/zinc/07/68/85/1324076885.db2.gz ARSUSDDCLIJFLG-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025264499 1324076893 /nfs/dbraw/zinc/07/68/93/1324076893.db2.gz ARSUSDDCLIJFLG-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516407 1324359863 /nfs/dbraw/zinc/35/98/63/1324359863.db2.gz SRNYUJBRPSYKDE-IAGOWNOFSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516409 1324360066 /nfs/dbraw/zinc/36/00/66/1324360066.db2.gz SRNYUJBRPSYKDE-SJORKVTESA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628648 1324479189 /nfs/dbraw/zinc/47/91/89/1324479189.db2.gz SLKPBGTZMLPBEW-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963430396 1325242038 /nfs/dbraw/zinc/24/20/38/1325242038.db2.gz UZOGUAIZRKAEHK-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C[C@H]1C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000927162840 1327901039 /nfs/dbraw/zinc/90/10/39/1327901039.db2.gz BACRWKSOQQQEOH-PXNSSMCTSA-N 2 1 349.482 3.008 20 30 EGEDMP C[C@H]1C[C@@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000927162840 1327901043 /nfs/dbraw/zinc/90/10/43/1327901043.db2.gz BACRWKSOQQQEOH-PXNSSMCTSA-N 2 1 349.482 3.008 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945337317 1332560376 /nfs/dbraw/zinc/56/03/76/1332560376.db2.gz WNGWHFCUKPLHQQ-FUHWJXTLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416973 1333517603 /nfs/dbraw/zinc/51/76/03/1333517603.db2.gz UGTQNKLFSMAAHL-QGZVFWFLSA-N 2 1 349.544 3.312 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925450 1336091655 /nfs/dbraw/zinc/09/16/55/1336091655.db2.gz DPSJKEQQBDCTAO-QGZVFWFLSA-N 2 1 340.471 3.193 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968991383 1336112518 /nfs/dbraw/zinc/11/25/18/1336112518.db2.gz YOXIFZWABCSXRD-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968991383 1336112519 /nfs/dbraw/zinc/11/25/19/1336112519.db2.gz YOXIFZWABCSXRD-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968991383 1336112522 /nfs/dbraw/zinc/11/25/22/1336112522.db2.gz YOXIFZWABCSXRD-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573728 1341879156 /nfs/dbraw/zinc/87/91/56/1341879156.db2.gz IZHJSUSUDDKRNU-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573728 1341879158 /nfs/dbraw/zinc/87/91/58/1341879158.db2.gz IZHJSUSUDDKRNU-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573728 1341879159 /nfs/dbraw/zinc/87/91/59/1341879159.db2.gz IZHJSUSUDDKRNU-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039474144 1345089278 /nfs/dbraw/zinc/08/92/78/1345089278.db2.gz SKTFFHZCXVATGR-MOPGFXCFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531745 1346619461 /nfs/dbraw/zinc/61/94/61/1346619461.db2.gz QLLOHDGNHLLDCK-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045944084 1346779848 /nfs/dbraw/zinc/77/98/48/1346779848.db2.gz WXDYCDYQSGWSIP-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045944084 1346779851 /nfs/dbraw/zinc/77/98/51/1346779851.db2.gz WXDYCDYQSGWSIP-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045944084 1346779853 /nfs/dbraw/zinc/77/98/53/1346779853.db2.gz WXDYCDYQSGWSIP-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048528207 1347578885 /nfs/dbraw/zinc/57/88/85/1347578885.db2.gz ZTMXQHYHWKHADN-IYWMVGAKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048528207 1347578886 /nfs/dbraw/zinc/57/88/86/1347578886.db2.gz ZTMXQHYHWKHADN-IYWMVGAKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048528207 1347578888 /nfs/dbraw/zinc/57/88/88/1347578888.db2.gz ZTMXQHYHWKHADN-IYWMVGAKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510446 1347884822 /nfs/dbraw/zinc/88/48/22/1347884822.db2.gz GHAYXYJSCZCXEX-SJORKVTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510446 1347884825 /nfs/dbraw/zinc/88/48/25/1347884825.db2.gz GHAYXYJSCZCXEX-SJORKVTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049526538 1347892968 /nfs/dbraw/zinc/89/29/68/1347892968.db2.gz VQQDXNAVRNXZNO-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526538 1347892971 /nfs/dbraw/zinc/89/29/71/1347892971.db2.gz VQQDXNAVRNXZNO-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049526538 1347892973 /nfs/dbraw/zinc/89/29/73/1347892973.db2.gz VQQDXNAVRNXZNO-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049837812 1348050506 /nfs/dbraw/zinc/05/05/06/1348050506.db2.gz RUGKZWMPRHJPRM-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049837812 1348050508 /nfs/dbraw/zinc/05/05/08/1348050508.db2.gz RUGKZWMPRHJPRM-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049837812 1348050510 /nfs/dbraw/zinc/05/05/10/1348050510.db2.gz RUGKZWMPRHJPRM-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404565 1360403306 /nfs/dbraw/zinc/40/33/06/1360403306.db2.gz WLFUGLWBNVTWKA-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404565 1360403307 /nfs/dbraw/zinc/40/33/07/1360403307.db2.gz WLFUGLWBNVTWKA-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404565 1360403309 /nfs/dbraw/zinc/40/33/09/1360403309.db2.gz WLFUGLWBNVTWKA-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699198 1359598820 /nfs/dbraw/zinc/59/88/20/1359598820.db2.gz HNFSMZZRSQRBLT-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699198 1359598824 /nfs/dbraw/zinc/59/88/24/1359598824.db2.gz HNFSMZZRSQRBLT-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699198 1359598825 /nfs/dbraw/zinc/59/88/25/1359598825.db2.gz HNFSMZZRSQRBLT-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400580 1360400128 /nfs/dbraw/zinc/40/01/28/1360400128.db2.gz JTGSKQNCXWWROR-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400580 1360400130 /nfs/dbraw/zinc/40/01/30/1360400130.db2.gz JTGSKQNCXWWROR-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400580 1360400132 /nfs/dbraw/zinc/40/01/32/1360400132.db2.gz JTGSKQNCXWWROR-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457602 1360444762 /nfs/dbraw/zinc/44/47/62/1360444762.db2.gz CEDBEBMQYZZKSF-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493557 1360470878 /nfs/dbraw/zinc/47/08/78/1360470878.db2.gz XUNAKNOKKXWKCB-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493557 1360470881 /nfs/dbraw/zinc/47/08/81/1360470881.db2.gz XUNAKNOKKXWKCB-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493557 1360470884 /nfs/dbraw/zinc/47/08/84/1360470884.db2.gz XUNAKNOKKXWKCB-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493566 1360470984 /nfs/dbraw/zinc/47/09/84/1360470984.db2.gz XUNAKNOKKXWKCB-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493566 1360470987 /nfs/dbraw/zinc/47/09/87/1360470987.db2.gz XUNAKNOKKXWKCB-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493566 1360470989 /nfs/dbraw/zinc/47/09/89/1360470989.db2.gz XUNAKNOKKXWKCB-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089639533 1360553413 /nfs/dbraw/zinc/55/34/13/1360553413.db2.gz XGHZUIZSVSUUMA-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639533 1360553415 /nfs/dbraw/zinc/55/34/15/1360553415.db2.gz XGHZUIZSVSUUMA-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089639533 1360553416 /nfs/dbraw/zinc/55/34/16/1360553416.db2.gz XGHZUIZSVSUUMA-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664542 1360574762 /nfs/dbraw/zinc/57/47/62/1360574762.db2.gz MKZNLXVQWYWRPK-KRWDZBQOSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686583 1360592652 /nfs/dbraw/zinc/59/26/52/1360592652.db2.gz WCIWBDKQEBLXPT-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686583 1360592656 /nfs/dbraw/zinc/59/26/56/1360592656.db2.gz WCIWBDKQEBLXPT-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686583 1360592659 /nfs/dbraw/zinc/59/26/59/1360592659.db2.gz WCIWBDKQEBLXPT-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089733970 1360638145 /nfs/dbraw/zinc/63/81/45/1360638145.db2.gz DPBSNDWCJCRSKM-SFHVURJKSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089735491 1360640224 /nfs/dbraw/zinc/64/02/24/1360640224.db2.gz MCYQXNQPYLYQPN-LJQANCHMSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184809403 1387543679 /nfs/dbraw/zinc/54/36/79/1387543679.db2.gz FUQFSIJXAZXENS-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095904031 1362280065 /nfs/dbraw/zinc/28/00/65/1362280065.db2.gz XKXOTNDCJIQOMB-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095904031 1362280067 /nfs/dbraw/zinc/28/00/67/1362280067.db2.gz XKXOTNDCJIQOMB-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095904031 1362280068 /nfs/dbraw/zinc/28/00/68/1362280068.db2.gz XKXOTNDCJIQOMB-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185171573 1387633561 /nfs/dbraw/zinc/63/35/61/1387633561.db2.gz XFTHFDDZFXMSKO-ROUUACIJSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111090 1363628542 /nfs/dbraw/zinc/62/85/42/1363628542.db2.gz QCURHSXEZIJUDW-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111090 1363628545 /nfs/dbraw/zinc/62/85/45/1363628545.db2.gz QCURHSXEZIJUDW-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111090 1363628550 /nfs/dbraw/zinc/62/85/50/1363628550.db2.gz QCURHSXEZIJUDW-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340132 1363760086 /nfs/dbraw/zinc/76/00/86/1363760086.db2.gz PGKFKQAYRKLPRV-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185234687 1387657528 /nfs/dbraw/zinc/65/75/28/1387657528.db2.gz IRALXTCBTLYCBX-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001100598931 1364183038 /nfs/dbraw/zinc/18/30/38/1364183038.db2.gz FVEVLIADSOGDQU-GPJFCIFZSA-N 2 1 349.563 3.339 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848498 1364290018 /nfs/dbraw/zinc/29/00/18/1364290018.db2.gz PIMGQNJARJQCTF-ACBHZAAOSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848499 1364290190 /nfs/dbraw/zinc/29/01/90/1364290190.db2.gz PIMGQNJARJQCTF-CTWPCTMYSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001101036353 1364383898 /nfs/dbraw/zinc/38/38/98/1364383898.db2.gz NZFPDOKFVNTZHA-CTWPCTMYSA-N 2 1 337.552 3.316 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001185315946 1387680672 /nfs/dbraw/zinc/68/06/72/1387680672.db2.gz ALRHYMIHQNPOTD-MOPGFXCFSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400275 1364545130 /nfs/dbraw/zinc/54/51/30/1364545130.db2.gz PDBJIEVKWFRGGS-QUCCMNQESA-N 2 1 337.552 3.079 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103087401 1365374232 /nfs/dbraw/zinc/37/42/32/1365374232.db2.gz GHZUTVMJCBBQQC-RLLQIKCJSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185549686 1387745573 /nfs/dbraw/zinc/74/55/73/1387745573.db2.gz RHBIXAAUYZMJBJ-RBUKOAKNSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001103542396 1365623533 /nfs/dbraw/zinc/62/35/33/1365623533.db2.gz MIXXICMDQYYJEL-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCCCCC)C1 ZINC001103542396 1365623537 /nfs/dbraw/zinc/62/35/37/1365623537.db2.gz MIXXICMDQYYJEL-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCCCCC)C1 ZINC001103542396 1365623546 /nfs/dbraw/zinc/62/35/46/1365623546.db2.gz MIXXICMDQYYJEL-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750548 1365764070 /nfs/dbraw/zinc/76/40/70/1365764070.db2.gz ASYUZZRDDZADEY-YLJYHZDGSA-N 2 1 343.515 3.012 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355003 1365983912 /nfs/dbraw/zinc/98/39/12/1365983912.db2.gz JUFMOPKHLCBDPV-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575159 1366540138 /nfs/dbraw/zinc/54/01/38/1366540138.db2.gz SLBMDTWWQUDLEH-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107435882 1366962791 /nfs/dbraw/zinc/96/27/91/1366962791.db2.gz DJBDWSQDUGSBGL-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435882 1366962793 /nfs/dbraw/zinc/96/27/93/1366962793.db2.gz DJBDWSQDUGSBGL-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107435882 1366962796 /nfs/dbraw/zinc/96/27/96/1366962796.db2.gz DJBDWSQDUGSBGL-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399229 1367103701 /nfs/dbraw/zinc/10/37/01/1367103701.db2.gz CMLHJRJBFXLXMV-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399229 1367103705 /nfs/dbraw/zinc/10/37/05/1367103705.db2.gz CMLHJRJBFXLXMV-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399229 1367103709 /nfs/dbraw/zinc/10/37/09/1367103709.db2.gz CMLHJRJBFXLXMV-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109721592 1367292686 /nfs/dbraw/zinc/29/26/86/1367292686.db2.gz NXPDWYBGMXOIAH-QYZOEREBSA-N 2 1 349.563 3.410 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109721592 1367292689 /nfs/dbraw/zinc/29/26/89/1367292689.db2.gz NXPDWYBGMXOIAH-QYZOEREBSA-N 2 1 349.563 3.410 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109721592 1367292692 /nfs/dbraw/zinc/29/26/92/1367292692.db2.gz NXPDWYBGMXOIAH-QYZOEREBSA-N 2 1 349.563 3.410 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190889437 1367376047 /nfs/dbraw/zinc/37/60/47/1367376047.db2.gz KTZXLMAIIKTMSV-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717233 1367553838 /nfs/dbraw/zinc/55/38/38/1367553838.db2.gz FNZYGSJBTQUFKW-FHWLQOOXSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667991 1367907672 /nfs/dbraw/zinc/90/76/72/1367907672.db2.gz RNTUOKDTKQBXDM-YRXWBPOGSA-N 2 1 335.536 3.019 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809091 1368003636 /nfs/dbraw/zinc/00/36/36/1368003636.db2.gz VBQSSXLIJPGYCC-WLWJZTKJSA-N 2 1 338.455 3.024 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194274230 1368221678 /nfs/dbraw/zinc/22/16/78/1368221678.db2.gz GEFILLIMDPSXCX-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307822 1368262871 /nfs/dbraw/zinc/26/28/71/1368262871.db2.gz ZNEUQVKPPBKCQA-QRVBRYPASA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111307822 1368262873 /nfs/dbraw/zinc/26/28/73/1368262873.db2.gz ZNEUQVKPPBKCQA-QRVBRYPASA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111307822 1368262881 /nfs/dbraw/zinc/26/28/81/1368262881.db2.gz ZNEUQVKPPBKCQA-QRVBRYPASA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778546 1368457436 /nfs/dbraw/zinc/45/74/36/1368457436.db2.gz DDJKPKWGFORLDI-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778546 1368457440 /nfs/dbraw/zinc/45/74/40/1368457440.db2.gz DDJKPKWGFORLDI-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001111903605 1368546646 /nfs/dbraw/zinc/54/66/46/1368546646.db2.gz GFWQSXDPLOJNQM-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111903605 1368546649 /nfs/dbraw/zinc/54/66/49/1368546649.db2.gz GFWQSXDPLOJNQM-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111903605 1368546654 /nfs/dbraw/zinc/54/66/54/1368546654.db2.gz GFWQSXDPLOJNQM-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401401 1368825708 /nfs/dbraw/zinc/82/57/08/1368825708.db2.gz BKJDECYVWKRFOS-LQWHRVPQSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577709 1369392718 /nfs/dbraw/zinc/39/27/18/1369392718.db2.gz FBDRUBSYJCPWLM-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001114402951 1369933614 /nfs/dbraw/zinc/93/36/14/1369933614.db2.gz KUONQZJZKDFBGL-BNDYYXHWSA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001114402951 1369933618 /nfs/dbraw/zinc/93/36/18/1369933618.db2.gz KUONQZJZKDFBGL-BNDYYXHWSA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001114402951 1369933622 /nfs/dbraw/zinc/93/36/22/1369933622.db2.gz KUONQZJZKDFBGL-BNDYYXHWSA-N 2 1 349.563 3.266 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203282545 1370060790 /nfs/dbraw/zinc/06/07/90/1370060790.db2.gz IYDYNVZYIMIMBI-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001114921056 1370150343 /nfs/dbraw/zinc/15/03/43/1370150343.db2.gz GBFJYJUNULGCGO-ZGXWSNOMSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001114921056 1370150346 /nfs/dbraw/zinc/15/03/46/1370150346.db2.gz GBFJYJUNULGCGO-ZGXWSNOMSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001114921056 1370150349 /nfs/dbraw/zinc/15/03/49/1370150349.db2.gz GBFJYJUNULGCGO-ZGXWSNOMSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203649497 1370200386 /nfs/dbraw/zinc/20/03/86/1370200386.db2.gz BKYDFXZSNDEDGX-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP CC#CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCCC1 ZINC001115608387 1370606870 /nfs/dbraw/zinc/60/68/70/1370606870.db2.gz KMPULNLHMWFMKB-UHFFFAOYSA-N 2 1 347.547 3.071 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC[C@@H]1C[NH3+] ZINC001205618087 1370813104 /nfs/dbraw/zinc/81/31/04/1370813104.db2.gz RGWPVFMRKIXWQD-OXJNMPFZSA-N 2 1 334.467 3.427 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206002899 1370934563 /nfs/dbraw/zinc/93/45/63/1370934563.db2.gz CJWMWDCLRDNBRX-OCCSQVGLSA-N 2 1 336.277 3.128 20 30 EGEDMP CCCCCCCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206511812 1371078015 /nfs/dbraw/zinc/07/80/15/1371078015.db2.gz CEZJRMSNMPJCNI-ICSRJNTNSA-N 2 1 334.504 3.177 20 30 EGEDMP CCCCCCCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206511812 1371078019 /nfs/dbraw/zinc/07/80/19/1371078019.db2.gz CEZJRMSNMPJCNI-ICSRJNTNSA-N 2 1 334.504 3.177 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391356 1371557784 /nfs/dbraw/zinc/55/77/84/1371557784.db2.gz ASNQQSHSTLMBCP-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430701 1371573611 /nfs/dbraw/zinc/57/36/11/1371573611.db2.gz MKRCJTQDBLDKJU-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187858120 1388179053 /nfs/dbraw/zinc/17/90/53/1388179053.db2.gz XMZKELYLQXSDKW-XUVXKRRUSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187858120 1388179059 /nfs/dbraw/zinc/17/90/59/1388179059.db2.gz XMZKELYLQXSDKW-XUVXKRRUSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187858120 1388179065 /nfs/dbraw/zinc/17/90/65/1388179065.db2.gz XMZKELYLQXSDKW-XUVXKRRUSA-N 2 1 349.563 3.362 20 30 EGEDMP N#Cc1cccc(O[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209450972 1372109021 /nfs/dbraw/zinc/10/90/21/1372109021.db2.gz PNCMBIZKPACQTE-FQEVSTJZSA-N 2 1 327.472 3.277 20 30 EGEDMP N#Cc1cccc(O[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209450972 1372109024 /nfs/dbraw/zinc/10/90/24/1372109024.db2.gz PNCMBIZKPACQTE-FQEVSTJZSA-N 2 1 327.472 3.277 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211256597 1372513515 /nfs/dbraw/zinc/51/35/15/1372513515.db2.gz JRPSLYUTKCLLDD-RTBURBONSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211367092 1372541466 /nfs/dbraw/zinc/54/14/66/1372541466.db2.gz NUSZNMYFYFUQLZ-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367092 1372541469 /nfs/dbraw/zinc/54/14/69/1372541469.db2.gz NUSZNMYFYFUQLZ-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211367092 1372541471 /nfs/dbraw/zinc/54/14/71/1372541471.db2.gz NUSZNMYFYFUQLZ-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265554 1375254002 /nfs/dbraw/zinc/25/40/02/1375254002.db2.gz OKGNJBTZKQUULX-MJGOQNOKSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377272 1375338726 /nfs/dbraw/zinc/33/87/26/1375338726.db2.gz VPCYZHMNOLHUFK-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132436748 1375380685 /nfs/dbraw/zinc/38/06/85/1375380685.db2.gz NQBYEFQCVSQDIE-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132436748 1375380689 /nfs/dbraw/zinc/38/06/89/1375380689.db2.gz NQBYEFQCVSQDIE-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132436748 1375380694 /nfs/dbraw/zinc/38/06/94/1375380694.db2.gz NQBYEFQCVSQDIE-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133319975 1375920451 /nfs/dbraw/zinc/92/04/51/1375920451.db2.gz WIPZRVXFNHXRAX-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230618363 1376103200 /nfs/dbraw/zinc/10/32/00/1376103200.db2.gz LPYPNUAZKAFDDX-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235968625 1376924303 /nfs/dbraw/zinc/92/43/03/1376924303.db2.gz KBIALLVPQDCAHP-NRFANRHFSA-N 2 1 347.462 3.247 20 30 EGEDMP COc1ccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c(C#N)c1 ZINC001276314904 1378170764 /nfs/dbraw/zinc/17/07/64/1378170764.db2.gz RZQXKPJATXFOFN-UHFFFAOYSA-N 2 1 339.483 3.407 20 30 EGEDMP C#CCOc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)cc1OC ZINC001276577370 1378180291 /nfs/dbraw/zinc/18/02/91/1378180291.db2.gz ZTYNEPJZVAZJGL-UHFFFAOYSA-N 2 1 342.483 3.015 20 30 EGEDMP N#Cc1ccc(CCC[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001278129680 1378258587 /nfs/dbraw/zinc/25/85/87/1378258587.db2.gz SRADPCUKUDTILC-UHFFFAOYSA-N 2 1 348.494 3.417 20 30 EGEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819320 1380136825 /nfs/dbraw/zinc/13/68/25/1380136825.db2.gz WJYNVTXWNZHYOI-QZTJIDSGSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153819320 1380136827 /nfs/dbraw/zinc/13/68/27/1380136827.db2.gz WJYNVTXWNZHYOI-QZTJIDSGSA-N 2 1 346.519 3.334 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099879 1380207832 /nfs/dbraw/zinc/20/78/32/1380207832.db2.gz SQXXZLIKAHWKDQ-OAHLLOKOSA-N 2 1 343.943 3.219 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099879 1380207835 /nfs/dbraw/zinc/20/78/35/1380207835.db2.gz SQXXZLIKAHWKDQ-OAHLLOKOSA-N 2 1 343.943 3.219 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099879 1380207837 /nfs/dbraw/zinc/20/78/37/1380207837.db2.gz SQXXZLIKAHWKDQ-OAHLLOKOSA-N 2 1 343.943 3.219 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099879 1380207840 /nfs/dbraw/zinc/20/78/40/1380207840.db2.gz SQXXZLIKAHWKDQ-OAHLLOKOSA-N 2 1 343.943 3.219 20 30 EGEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](CCC)CCC ZINC001156318965 1380557584 /nfs/dbraw/zinc/55/75/84/1380557584.db2.gz KMJDFNHRUMGVBY-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001158397213 1381230569 /nfs/dbraw/zinc/23/05/69/1381230569.db2.gz JXMJBKZIWHWPQN-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158397213 1381230572 /nfs/dbraw/zinc/23/05/72/1381230572.db2.gz JXMJBKZIWHWPQN-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158397213 1381230576 /nfs/dbraw/zinc/23/05/76/1381230576.db2.gz JXMJBKZIWHWPQN-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP Cc1[nH+]c(N2CCC3(CC2)[NH2+]CCc2ccccc23)ccc1CC#N ZINC001159017728 1381512066 /nfs/dbraw/zinc/51/20/66/1381512066.db2.gz KAXZBIDQYUFGNP-UHFFFAOYSA-N 2 1 332.451 3.098 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592841 1382149129 /nfs/dbraw/zinc/14/91/29/1382149129.db2.gz FSGYNBYUVUUREB-GOSISDBHSA-N 2 1 345.531 3.108 20 30 EGEDMP CCCCCCC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160683562 1382169662 /nfs/dbraw/zinc/16/96/62/1382169662.db2.gz UWFBTHXBAZPUOF-UHFFFAOYSA-N 2 1 346.519 3.300 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160683562 1382169665 /nfs/dbraw/zinc/16/96/65/1382169665.db2.gz UWFBTHXBAZPUOF-UHFFFAOYSA-N 2 1 346.519 3.300 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001160787699 1382195730 /nfs/dbraw/zinc/19/57/30/1382195730.db2.gz PWLZGERFIHXFKR-UHFFFAOYSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444585 1382413542 /nfs/dbraw/zinc/41/35/42/1382413542.db2.gz HDBCWGHXAPASNX-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444585 1382413543 /nfs/dbraw/zinc/41/35/43/1382413543.db2.gz HDBCWGHXAPASNX-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444585 1382413544 /nfs/dbraw/zinc/41/35/44/1382413544.db2.gz HDBCWGHXAPASNX-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCn1ccc2c1nc[nH+]c2NCc1cccnc1C1CC[NH2+]CC1 ZINC001163907463 1383135008 /nfs/dbraw/zinc/13/50/08/1383135008.db2.gz AWKQPTRZCANCBX-UHFFFAOYSA-N 2 1 348.454 3.091 20 30 EGEDMP C[NH+](C)C1(CNc2ccc(C#C[Si](C)(C)C)cc2)CC[NH+](C)CC1 ZINC001164213390 1383166528 /nfs/dbraw/zinc/16/65/28/1383166528.db2.gz UOQQPQKDMNFRTA-UHFFFAOYSA-N 2 1 343.591 3.353 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485060 1383300707 /nfs/dbraw/zinc/30/07/07/1383300707.db2.gz KRMOZHIPBIMFHG-LJQANCHMSA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335415 1383875802 /nfs/dbraw/zinc/87/58/02/1383875802.db2.gz IACISLCKOLQXKL-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP N#Cc1ccnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001170660776 1384358327 /nfs/dbraw/zinc/35/83/27/1384358327.db2.gz DORDVYSZHKZMHO-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862489 1384400826 /nfs/dbraw/zinc/40/08/26/1384400826.db2.gz MYQMKZHONSMOFB-IPMKNSEASA-N 2 1 337.552 3.338 20 30 EGEDMP CC[N+](C)(C)Cc1ccccc1NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001170985305 1384424015 /nfs/dbraw/zinc/42/40/15/1384424015.db2.gz QHYRWKVOJJZDHW-UHFFFAOYSA-N 2 1 340.447 3.107 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172116055 1384733526 /nfs/dbraw/zinc/73/35/26/1384733526.db2.gz CWRBMFBSTQOUEB-RCLSDMTESA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116055 1384733532 /nfs/dbraw/zinc/73/35/32/1384733532.db2.gz CWRBMFBSTQOUEB-RCLSDMTESA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116055 1384733534 /nfs/dbraw/zinc/73/35/34/1384733534.db2.gz CWRBMFBSTQOUEB-RCLSDMTESA-N 2 1 345.531 3.035 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172301097 1384763943 /nfs/dbraw/zinc/76/39/43/1384763943.db2.gz KIOMNCHJLQRFIN-XXMUNEJQSA-N 2 1 331.463 3.209 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172301097 1384763945 /nfs/dbraw/zinc/76/39/45/1384763945.db2.gz KIOMNCHJLQRFIN-XXMUNEJQSA-N 2 1 331.463 3.209 20 30 EGEDMP C=CCOC1CCC(N(c2[nH+]cccc2C)C2CC[NH2+]CC2)CC1 ZINC001173325657 1384959366 /nfs/dbraw/zinc/95/93/66/1384959366.db2.gz OZYFQFMPLNYEPL-UHFFFAOYSA-N 2 1 329.488 3.462 20 30 EGEDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(CC#N)CC1)C2 ZINC001173333106 1384960747 /nfs/dbraw/zinc/96/07/47/1384960747.db2.gz KUJQOUIDLFRIGY-BCKAPOECSA-N 2 1 345.531 3.139 20 30 EGEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173333106 1384960748 /nfs/dbraw/zinc/96/07/48/1384960748.db2.gz KUJQOUIDLFRIGY-BCKAPOECSA-N 2 1 345.531 3.139 20 30 EGEDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173333106 1384960749 /nfs/dbraw/zinc/96/07/49/1384960749.db2.gz KUJQOUIDLFRIGY-BCKAPOECSA-N 2 1 345.531 3.139 20 30 EGEDMP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335991 1384961423 /nfs/dbraw/zinc/96/14/23/1384961423.db2.gz JHNIFQWATYGHDP-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335991 1384961427 /nfs/dbraw/zinc/96/14/27/1384961427.db2.gz JHNIFQWATYGHDP-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335991 1384961431 /nfs/dbraw/zinc/96/14/31/1384961431.db2.gz JHNIFQWATYGHDP-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173335991 1384961435 /nfs/dbraw/zinc/96/14/35/1384961435.db2.gz JHNIFQWATYGHDP-SOAGJPPSSA-N 2 1 333.520 3.282 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256784 1385231326 /nfs/dbraw/zinc/23/13/26/1385231326.db2.gz OSDNVXGOWMJAJO-OALUTQOASA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175704003 1385378981 /nfs/dbraw/zinc/37/89/81/1385378981.db2.gz PKFVTUXJZNRDQK-QGZVFWFLSA-N 2 1 334.508 3.203 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001176111794 1385486872 /nfs/dbraw/zinc/48/68/72/1385486872.db2.gz JZOFAMWMTKJNAD-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176268900 1385532316 /nfs/dbraw/zinc/53/23/16/1385532316.db2.gz OAJVGYRSFFZSCV-MSOLQXFVSA-N 2 1 325.541 3.338 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001177317204 1385911109 /nfs/dbraw/zinc/91/11/09/1385911109.db2.gz QKFAKDLSODDFNV-WOJBJXKFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177349023 1385924430 /nfs/dbraw/zinc/92/44/30/1385924430.db2.gz UYWLFEVEFJHIFI-UXHICEINSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490184 1386234074 /nfs/dbraw/zinc/23/40/74/1386234074.db2.gz IFNBSXOJNKHVKL-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178811393 1386314581 /nfs/dbraw/zinc/31/45/81/1386314581.db2.gz UIHJQLJKQKLQAO-RBUKOAKNSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001752525281 1440192549 /nfs/dbraw/zinc/19/25/49/1440192549.db2.gz KPFIUQPOIJMRSE-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752524341 1440192557 /nfs/dbraw/zinc/19/25/57/1440192557.db2.gz DXOFJXUARCRSTR-UXHICEINSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001752564640 1440195347 /nfs/dbraw/zinc/19/53/47/1440195347.db2.gz GZQFLCMVTLZSNN-KURKYZTESA-N 2 1 344.503 3.036 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001752564640 1440195348 /nfs/dbraw/zinc/19/53/48/1440195348.db2.gz GZQFLCMVTLZSNN-KURKYZTESA-N 2 1 344.503 3.036 20 30 EGEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753549423 1440434799 /nfs/dbraw/zinc/43/47/99/1440434799.db2.gz WMABKBHDAQYZAR-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001753667752 1440460834 /nfs/dbraw/zinc/46/08/34/1440460834.db2.gz IMLXGILKGZEWOV-LJQANCHMSA-N 2 1 347.547 3.378 20 30 EGEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001753836850 1440501214 /nfs/dbraw/zinc/50/12/14/1440501214.db2.gz FYTWKJJERBUAIQ-UXHICEINSA-N 2 1 349.563 3.480 20 30 EGEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001753836852 1440501273 /nfs/dbraw/zinc/50/12/73/1440501273.db2.gz FYTWKJJERBUAIQ-WOJBJXKFSA-N 2 1 349.563 3.480 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001754391832 1440594241 /nfs/dbraw/zinc/59/42/41/1440594241.db2.gz IVFIKUJRWYPPLM-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCCC1 ZINC001754547486 1440628102 /nfs/dbraw/zinc/62/81/02/1440628102.db2.gz FMJIUOLBYXUHDY-UHFFFAOYSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CCCCCC1 ZINC001754547486 1440628103 /nfs/dbraw/zinc/62/81/03/1440628103.db2.gz FMJIUOLBYXUHDY-UHFFFAOYSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001754651551 1440651967 /nfs/dbraw/zinc/65/19/67/1440651967.db2.gz VAYXSDUGCRJORO-VQTJNVASSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754734473 1440681584 /nfs/dbraw/zinc/68/15/84/1440681584.db2.gz WEEVNRGWCDKZLW-HXUWFJFHSA-N 2 1 335.536 3.047 20 30 EGEDMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001754921646 1440709385 /nfs/dbraw/zinc/70/93/85/1440709385.db2.gz VJWSCQVTHLXOCV-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001755031542 1440731886 /nfs/dbraw/zinc/73/18/86/1440731886.db2.gz UKMJKNQRZYIHDY-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755036338 1440734478 /nfs/dbraw/zinc/73/44/78/1440734478.db2.gz BXFHGOZSLFUZLH-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755036338 1440734479 /nfs/dbraw/zinc/73/44/79/1440734479.db2.gz BXFHGOZSLFUZLH-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755036338 1440734480 /nfs/dbraw/zinc/73/44/80/1440734480.db2.gz BXFHGOZSLFUZLH-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001755130733 1440757064 /nfs/dbraw/zinc/75/70/64/1440757064.db2.gz PUQAHBTVTVKBKY-UHFFFAOYSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142576 1440761398 /nfs/dbraw/zinc/76/13/98/1440761398.db2.gz BTKHJFVSRFOSQY-SFHVURJKSA-N 2 1 346.519 3.155 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001755142576 1440761399 /nfs/dbraw/zinc/76/13/99/1440761399.db2.gz BTKHJFVSRFOSQY-SFHVURJKSA-N 2 1 346.519 3.155 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755193133 1440775485 /nfs/dbraw/zinc/77/54/85/1440775485.db2.gz SDOQJQMHLRTRHM-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755193133 1440775486 /nfs/dbraw/zinc/77/54/86/1440775486.db2.gz SDOQJQMHLRTRHM-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755193133 1440775487 /nfs/dbraw/zinc/77/54/87/1440775487.db2.gz SDOQJQMHLRTRHM-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001755353940 1440828707 /nfs/dbraw/zinc/82/87/07/1440828707.db2.gz BRXMVZOPUMJRIU-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755850578 1440934844 /nfs/dbraw/zinc/93/48/44/1440934844.db2.gz MPCMRBPSOJVDGC-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000268558886 252022276 /nfs/dbraw/zinc/02/22/76/252022276.db2.gz OPZTYVTWDNWBGQ-GOSISDBHSA-N 2 1 327.472 3.276 20 30 EGEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000268558886 252022280 /nfs/dbraw/zinc/02/22/80/252022280.db2.gz OPZTYVTWDNWBGQ-GOSISDBHSA-N 2 1 327.472 3.276 20 30 EGEDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000344087998 164100735 /nfs/dbraw/zinc/10/07/35/164100735.db2.gz MVMGYMABBCYLFI-KRWDZBQOSA-N 2 1 335.451 3.241 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+]CC(C)(C)CCC#N)[C@H](c2ccccc2)C1 ZINC000246057534 455419405 /nfs/dbraw/zinc/41/94/05/455419405.db2.gz DAGYYKWEVKPDBD-FQEVSTJZSA-N 2 1 342.531 3.285 20 30 EGEDMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000131192630 454239461 /nfs/dbraw/zinc/23/94/61/454239461.db2.gz DXEJEIKQJVGNMD-UHFFFAOYSA-N 2 1 348.494 3.332 20 30 EGEDMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCCCC#N ZINC000092253870 454542030 /nfs/dbraw/zinc/54/20/30/454542030.db2.gz JEUUAIDCKYZNOV-GOSISDBHSA-N 2 1 345.487 3.151 20 30 EGEDMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCCCC#N ZINC000092253870 454542035 /nfs/dbraw/zinc/54/20/35/454542035.db2.gz JEUUAIDCKYZNOV-GOSISDBHSA-N 2 1 345.487 3.151 20 30 EGEDMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCCCC#N ZINC000092253870 454542038 /nfs/dbraw/zinc/54/20/38/454542038.db2.gz JEUUAIDCKYZNOV-GOSISDBHSA-N 2 1 345.487 3.151 20 30 EGEDMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCCCC#N ZINC000092253870 454542041 /nfs/dbraw/zinc/54/20/41/454542041.db2.gz JEUUAIDCKYZNOV-GOSISDBHSA-N 2 1 345.487 3.151 20 30 EGEDMP N#Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134865957 454599515 /nfs/dbraw/zinc/59/95/15/454599515.db2.gz IYFSQOMQRFLDET-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134865957 454599520 /nfs/dbraw/zinc/59/95/20/454599520.db2.gz IYFSQOMQRFLDET-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134865957 454599528 /nfs/dbraw/zinc/59/95/28/454599528.db2.gz IYFSQOMQRFLDET-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134865957 454599536 /nfs/dbraw/zinc/59/95/36/454599536.db2.gz IYFSQOMQRFLDET-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP C=CCc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc(OC)c1O ZINC000093659994 454726690 /nfs/dbraw/zinc/72/66/90/454726690.db2.gz DULZEDGFOXFZSO-GOSISDBHSA-N 2 1 332.488 3.436 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc(OC)c1O ZINC000093659994 454726693 /nfs/dbraw/zinc/72/66/93/454726693.db2.gz DULZEDGFOXFZSO-GOSISDBHSA-N 2 1 332.488 3.436 20 30 EGEDMP C=CCc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc(OC)c1O ZINC000093659994 454726698 /nfs/dbraw/zinc/72/66/98/454726698.db2.gz DULZEDGFOXFZSO-GOSISDBHSA-N 2 1 332.488 3.436 20 30 EGEDMP C=CCc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc(OC)c1O ZINC000093659994 454726702 /nfs/dbraw/zinc/72/67/02/454726702.db2.gz DULZEDGFOXFZSO-GOSISDBHSA-N 2 1 332.488 3.436 20 30 EGEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000176748371 454778466 /nfs/dbraw/zinc/77/84/66/454778466.db2.gz KWPFPLSKPZLIJF-UHFFFAOYSA-N 2 1 344.499 3.068 20 30 EGEDMP C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000247038605 455548939 /nfs/dbraw/zinc/54/89/39/455548939.db2.gz RQSOWSJSXZDJJU-SLFFLAALSA-N 2 1 347.547 3.162 20 30 EGEDMP C[C@@H]([NH2+]CCOc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185723562 455606589 /nfs/dbraw/zinc/60/65/89/455606589.db2.gz GTVQGYJATZHZBU-AEFFLSMTSA-N 2 1 327.472 3.180 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)c2)CCO1 ZINC000248855895 455734405 /nfs/dbraw/zinc/73/44/05/455734405.db2.gz PHJDQHIGWRDRNY-HLIPFELVSA-N 2 1 327.472 3.079 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)c2)CCO1 ZINC000248855895 455734412 /nfs/dbraw/zinc/73/44/12/455734412.db2.gz PHJDQHIGWRDRNY-HLIPFELVSA-N 2 1 327.472 3.079 20 30 EGEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285514305 455861191 /nfs/dbraw/zinc/86/11/91/455861191.db2.gz OLAVBFCTTZJQAN-QGZVFWFLSA-N 2 1 345.462 3.415 20 30 EGEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285514305 455861197 /nfs/dbraw/zinc/86/11/97/455861197.db2.gz OLAVBFCTTZJQAN-QGZVFWFLSA-N 2 1 345.462 3.415 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280892291 456073022 /nfs/dbraw/zinc/07/30/22/456073022.db2.gz QGTVXBZVVLYPSD-WLRLJWMZSA-N 2 1 328.500 3.468 20 30 EGEDMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1C#N ZINC000340394614 456435796 /nfs/dbraw/zinc/43/57/96/456435796.db2.gz KDWSRDXRBZRCNA-WOJBJXKFSA-N 2 1 335.451 3.492 20 30 EGEDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1C#N ZINC000340394614 456435804 /nfs/dbraw/zinc/43/58/04/456435804.db2.gz KDWSRDXRBZRCNA-WOJBJXKFSA-N 2 1 335.451 3.492 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292117422 456859733 /nfs/dbraw/zinc/85/97/33/456859733.db2.gz KPTSIXSXVJMUHG-MRXNPFEDSA-N 2 1 329.488 3.080 20 30 EGEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358140382 457810249 /nfs/dbraw/zinc/81/02/49/457810249.db2.gz MXQFDIPHKGDEDH-RXQRSOPUSA-N 2 1 327.472 3.178 20 30 EGEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358140382 457810253 /nfs/dbraw/zinc/81/02/53/457810253.db2.gz MXQFDIPHKGDEDH-RXQRSOPUSA-N 2 1 327.472 3.178 20 30 EGEDMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CCC1(C#N)CCCCC1 ZINC000411731716 457966601 /nfs/dbraw/zinc/96/66/01/457966601.db2.gz BWIUPFLQIFVZFJ-UHFFFAOYSA-N 2 1 334.552 3.200 20 30 EGEDMP N#CCCn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000377647733 458508733 /nfs/dbraw/zinc/50/87/33/458508733.db2.gz MEIOFMALKOVGAS-VQTJNVASSA-N 2 1 349.482 3.180 20 30 EGEDMP N#CCCn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000377647733 458508738 /nfs/dbraw/zinc/50/87/38/458508738.db2.gz MEIOFMALKOVGAS-VQTJNVASSA-N 2 1 349.482 3.180 20 30 EGEDMP C=C(C)C(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000424720415 458719878 /nfs/dbraw/zinc/71/98/78/458719878.db2.gz ZVESILPVYBMQPQ-UHFFFAOYSA-N 2 1 349.563 3.243 20 30 EGEDMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602515181 459977754 /nfs/dbraw/zinc/97/77/54/459977754.db2.gz NZPVDISRTRTCJF-QGZVFWFLSA-N 2 1 334.467 3.475 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602515181 459977759 /nfs/dbraw/zinc/97/77/59/459977759.db2.gz NZPVDISRTRTCJF-QGZVFWFLSA-N 2 1 334.467 3.475 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602652128 460045722 /nfs/dbraw/zinc/04/57/22/460045722.db2.gz WIFXPKIVIMTXGW-AZUAARDMSA-N 2 1 341.499 3.197 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1C ZINC000662293375 461169612 /nfs/dbraw/zinc/16/96/12/461169612.db2.gz RAJBAXGHCGDNKP-IBGZPJMESA-N 2 1 343.515 3.185 20 30 EGEDMP COc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000174256224 1294489851 /nfs/dbraw/zinc/48/98/51/1294489851.db2.gz GCCHUJVWIKRXDC-UHFFFAOYSA-N 2 1 335.451 3.105 20 30 EGEDMP COc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000174256224 1294489856 /nfs/dbraw/zinc/48/98/56/1294489856.db2.gz GCCHUJVWIKRXDC-UHFFFAOYSA-N 2 1 335.451 3.105 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)NCC1(C)CC1 ZINC000261817823 1296606391 /nfs/dbraw/zinc/60/63/91/1296606391.db2.gz UCGBOPYZINWGLG-GOEBONIOSA-N 2 1 334.533 3.096 20 30 EGEDMP c1ccc(NC(=[NH+]C[C@@H]2CC[N@H+](C3CC3)C2)N2CCCCC2)cc1 ZINC000303874411 1296865708 /nfs/dbraw/zinc/86/57/08/1296865708.db2.gz DBCHYIVUXNXJAM-KRWDZBQOSA-N 2 1 326.488 3.425 20 30 EGEDMP C=CC[NH+](C)Cc1c(O)ccc2c1ccc(O)c2C[N@@H+](C)CC=C ZINC000902228166 1317548982 /nfs/dbraw/zinc/54/89/82/1317548982.db2.gz DDYYKSWPWGHTFS-UHFFFAOYSA-N 2 1 326.440 3.487 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(COC(C)=O)c2)CC1 ZINC000903093975 1317652388 /nfs/dbraw/zinc/65/23/88/1317652388.db2.gz VUGVTWHIKCMFRQ-INIZCTEOSA-N 2 1 330.472 3.441 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740158 1318650582 /nfs/dbraw/zinc/65/05/82/1318650582.db2.gz QSCOYAJYHHLZJF-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023769855 1319918602 /nfs/dbraw/zinc/91/86/02/1319918602.db2.gz ILDQKLZKHGZCJH-QGZVFWFLSA-N 2 1 347.503 3.139 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439725 1323401899 /nfs/dbraw/zinc/40/18/99/1323401899.db2.gz FJMLZTBSSLBRLC-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024439725 1323401904 /nfs/dbraw/zinc/40/19/04/1323401904.db2.gz FJMLZTBSSLBRLC-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024439725 1323401907 /nfs/dbraw/zinc/40/19/07/1323401907.db2.gz FJMLZTBSSLBRLC-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025287839 1324110238 /nfs/dbraw/zinc/11/02/38/1324110238.db2.gz QVJJPAJYUCWYPA-WOJBJXKFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203683 1331877406 /nfs/dbraw/zinc/87/74/06/1331877406.db2.gz KAZARWSRTDZEKL-HNAYVOBHSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943519325 1332192761 /nfs/dbraw/zinc/19/27/61/1332192761.db2.gz WJDLLFZQPRXVAQ-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945337318 1332561131 /nfs/dbraw/zinc/56/11/31/1332561131.db2.gz WNGWHFCUKPLHQQ-SJLPKXTDSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881936 1333290150 /nfs/dbraw/zinc/29/01/50/1333290150.db2.gz LNEJCZCDZGUDHR-PKOBYXMFSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473616 1333539555 /nfs/dbraw/zinc/53/95/55/1333539555.db2.gz JKIJNPCELLQPJD-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928183 1336092939 /nfs/dbraw/zinc/09/29/39/1336092939.db2.gz DTNQRGLFDRUSJO-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928183 1336092941 /nfs/dbraw/zinc/09/29/41/1336092941.db2.gz DTNQRGLFDRUSJO-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928183 1336092943 /nfs/dbraw/zinc/09/29/43/1336092943.db2.gz DTNQRGLFDRUSJO-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000969108509 1336146516 /nfs/dbraw/zinc/14/65/16/1336146516.db2.gz DQTQFFQLZSYUCA-WOJBJXKFSA-N 2 1 347.547 3.025 20 30 EGEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000969108509 1336146518 /nfs/dbraw/zinc/14/65/18/1336146518.db2.gz DQTQFFQLZSYUCA-WOJBJXKFSA-N 2 1 347.547 3.025 20 30 EGEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000969108509 1336146520 /nfs/dbraw/zinc/14/65/20/1336146520.db2.gz DQTQFFQLZSYUCA-WOJBJXKFSA-N 2 1 347.547 3.025 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326024 1336294754 /nfs/dbraw/zinc/29/47/54/1336294754.db2.gz MDBGUMBDBDBLKQ-XLIONFOSSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702940 1338696045 /nfs/dbraw/zinc/69/60/45/1338696045.db2.gz SXKSBERLFRUJMQ-RBUKOAKNSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924748 1338771685 /nfs/dbraw/zinc/77/16/85/1338771685.db2.gz YEUHODHEQSXKRD-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210314 1342320000 /nfs/dbraw/zinc/32/00/00/1342320000.db2.gz GLOVXHWUXQQYON-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210314 1342320006 /nfs/dbraw/zinc/32/00/06/1342320006.db2.gz GLOVXHWUXQQYON-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210314 1342320009 /nfs/dbraw/zinc/32/00/09/1342320009.db2.gz GLOVXHWUXQQYON-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256586 1343082853 /nfs/dbraw/zinc/08/28/53/1343082853.db2.gz JMAFTKGHZCNATK-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256586 1343082861 /nfs/dbraw/zinc/08/28/61/1343082861.db2.gz JMAFTKGHZCNATK-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035256586 1343082863 /nfs/dbraw/zinc/08/28/63/1343082863.db2.gz JMAFTKGHZCNATK-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040270579 1345405584 /nfs/dbraw/zinc/40/55/84/1345405584.db2.gz LLPGLMUFQOQIPD-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270579 1345405586 /nfs/dbraw/zinc/40/55/86/1345405586.db2.gz LLPGLMUFQOQIPD-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270579 1345405588 /nfs/dbraw/zinc/40/55/88/1345405588.db2.gz LLPGLMUFQOQIPD-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045940600 1346776463 /nfs/dbraw/zinc/77/64/63/1346776463.db2.gz BFCRKVDJWAJEBK-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940600 1346776464 /nfs/dbraw/zinc/77/64/64/1346776464.db2.gz BFCRKVDJWAJEBK-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940600 1346776465 /nfs/dbraw/zinc/77/64/65/1346776465.db2.gz BFCRKVDJWAJEBK-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510445 1347885127 /nfs/dbraw/zinc/88/51/27/1347885127.db2.gz GHAYXYJSCZCXEX-IRXDYDNUSA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049510445 1347885130 /nfs/dbraw/zinc/88/51/30/1347885130.db2.gz GHAYXYJSCZCXEX-IRXDYDNUSA-N 2 1 347.528 3.065 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049514213 1347886569 /nfs/dbraw/zinc/88/65/69/1347886569.db2.gz YZPUEJQUBKXQSR-IRXDYDNUSA-N 2 1 347.528 3.065 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049514213 1347886571 /nfs/dbraw/zinc/88/65/71/1347886571.db2.gz YZPUEJQUBKXQSR-IRXDYDNUSA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563659 1347911894 /nfs/dbraw/zinc/91/18/94/1347911894.db2.gz GNNOXOUOLQJFMC-RBUKOAKNSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563659 1347911895 /nfs/dbraw/zinc/91/18/95/1347911895.db2.gz GNNOXOUOLQJFMC-RBUKOAKNSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563659 1347911898 /nfs/dbraw/zinc/91/18/98/1347911898.db2.gz GNNOXOUOLQJFMC-RBUKOAKNSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049914869 1348109688 /nfs/dbraw/zinc/10/96/88/1348109688.db2.gz RMRFIWSXHDITSX-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652118 1348614076 /nfs/dbraw/zinc/61/40/76/1348614076.db2.gz SYPOTWYCMDNCIY-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652118 1348614078 /nfs/dbraw/zinc/61/40/78/1348614078.db2.gz SYPOTWYCMDNCIY-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652118 1348614083 /nfs/dbraw/zinc/61/40/83/1348614083.db2.gz SYPOTWYCMDNCIY-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762740 1348667942 /nfs/dbraw/zinc/66/79/42/1348667942.db2.gz BKRJKCPDEVSZAE-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762740 1348667943 /nfs/dbraw/zinc/66/79/43/1348667943.db2.gz BKRJKCPDEVSZAE-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762740 1348667944 /nfs/dbraw/zinc/66/79/44/1348667944.db2.gz BKRJKCPDEVSZAE-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052789045 1348679863 /nfs/dbraw/zinc/67/98/63/1348679863.db2.gz WQBJAXVPRAVCAC-FQEVSTJZSA-N 2 1 343.515 3.299 20 30 EGEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)cc2C1 ZINC001054284790 1349286736 /nfs/dbraw/zinc/28/67/36/1349286736.db2.gz HYYLKUAEVZKQIR-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)cc2C1 ZINC001054284790 1349286742 /nfs/dbraw/zinc/28/67/42/1349286742.db2.gz HYYLKUAEVZKQIR-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054284790 1349286749 /nfs/dbraw/zinc/28/67/49/1349286749.db2.gz HYYLKUAEVZKQIR-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)cc2C1 ZINC001054284790 1349286752 /nfs/dbraw/zinc/28/67/52/1349286752.db2.gz HYYLKUAEVZKQIR-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089508225 1360479979 /nfs/dbraw/zinc/47/99/79/1360479979.db2.gz VRSXYHBBZCKPDA-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089508225 1360479980 /nfs/dbraw/zinc/47/99/80/1360479980.db2.gz VRSXYHBBZCKPDA-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072110163 1355136602 /nfs/dbraw/zinc/13/66/02/1355136602.db2.gz TWTDNPBOGWGXDH-DLBZAZTESA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089380558 1360383543 /nfs/dbraw/zinc/38/35/43/1360383543.db2.gz FWTMMINZNKTXEB-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089380558 1360383548 /nfs/dbraw/zinc/38/35/48/1360383548.db2.gz FWTMMINZNKTXEB-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089380558 1360383549 /nfs/dbraw/zinc/38/35/49/1360383549.db2.gz FWTMMINZNKTXEB-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656285 1360567724 /nfs/dbraw/zinc/56/77/24/1360567724.db2.gz FAIGHFOYEWNQMQ-SFHVURJKSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001089686582 1360592893 /nfs/dbraw/zinc/59/28/93/1360592893.db2.gz WCIWBDKQEBLXPT-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686582 1360592896 /nfs/dbraw/zinc/59/28/96/1360592896.db2.gz WCIWBDKQEBLXPT-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089686582 1360592900 /nfs/dbraw/zinc/59/29/00/1360592900.db2.gz WCIWBDKQEBLXPT-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687374 1360593680 /nfs/dbraw/zinc/59/36/80/1360593680.db2.gz JCJRIAKKYOMEHZ-KRWDZBQOSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687374 1360593681 /nfs/dbraw/zinc/59/36/81/1360593681.db2.gz JCJRIAKKYOMEHZ-KRWDZBQOSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609917 1387500048 /nfs/dbraw/zinc/50/00/48/1387500048.db2.gz YVHRCXUROCCOMG-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875104 1363501490 /nfs/dbraw/zinc/50/14/90/1363501490.db2.gz MTVVBDWAHUPQFJ-ZVDOUQERSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875104 1363501491 /nfs/dbraw/zinc/50/14/91/1363501491.db2.gz MTVVBDWAHUPQFJ-ZVDOUQERSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875104 1363501493 /nfs/dbraw/zinc/50/14/93/1363501493.db2.gz MTVVBDWAHUPQFJ-ZVDOUQERSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153658 1363659208 /nfs/dbraw/zinc/65/92/08/1363659208.db2.gz NMPWPFPTVSKODX-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099229718 1363703194 /nfs/dbraw/zinc/70/31/94/1363703194.db2.gz MFYXKXYUESRRPX-ZWKOTPCHSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310674 1363743594 /nfs/dbraw/zinc/74/35/94/1363743594.db2.gz SHRDHFWVDXQNAR-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353942 1363768480 /nfs/dbraw/zinc/76/84/80/1363768480.db2.gz JONLJHPKLWMNLK-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101476527 1364575773 /nfs/dbraw/zinc/57/57/73/1364575773.db2.gz XNYIVKXBKAHGRG-QUCCMNQESA-N 2 1 337.552 3.077 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101476527 1364575776 /nfs/dbraw/zinc/57/57/76/1364575776.db2.gz XNYIVKXBKAHGRG-QUCCMNQESA-N 2 1 337.552 3.077 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101476527 1364575777 /nfs/dbraw/zinc/57/57/77/1364575777.db2.gz XNYIVKXBKAHGRG-QUCCMNQESA-N 2 1 337.552 3.077 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001101547682 1364611267 /nfs/dbraw/zinc/61/12/67/1364611267.db2.gz LZBZBNPFNLZNEO-UHFFFAOYSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419444 1365045958 /nfs/dbraw/zinc/04/59/58/1365045958.db2.gz FRVXBXQGUIVDQG-FGTMMUONSA-N 2 1 346.519 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419444 1365045961 /nfs/dbraw/zinc/04/59/61/1365045961.db2.gz FRVXBXQGUIVDQG-FGTMMUONSA-N 2 1 346.519 3.045 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185715 1365425423 /nfs/dbraw/zinc/42/54/23/1365425423.db2.gz MGPXELCZJJRANV-GUDVDZBRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654808 1365705695 /nfs/dbraw/zinc/70/56/95/1365705695.db2.gz CKFPHSGBLRNNLF-CEXWTWQISA-N 2 1 337.552 3.147 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105544920 1366522268 /nfs/dbraw/zinc/52/22/68/1366522268.db2.gz YZMXBIJAZVHFHU-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105560847 1366530705 /nfs/dbraw/zinc/53/07/05/1366530705.db2.gz DIJLYHPTLJTDBH-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575169 1366540001 /nfs/dbraw/zinc/54/00/01/1366540001.db2.gz TTYISIDCNUMISE-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106150943 1366614524 /nfs/dbraw/zinc/61/45/24/1366614524.db2.gz IMMZJUICYOIYLQ-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107407613 1366954805 /nfs/dbraw/zinc/95/48/05/1366954805.db2.gz CMQKMNGZEBXGPL-WIYYLYMNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442657 1366964873 /nfs/dbraw/zinc/96/48/73/1366964873.db2.gz IDYRZTUXTSSMQH-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442657 1366964875 /nfs/dbraw/zinc/96/48/75/1366964875.db2.gz IDYRZTUXTSSMQH-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442657 1366964878 /nfs/dbraw/zinc/96/48/78/1366964878.db2.gz IDYRZTUXTSSMQH-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001109489369 1367155153 /nfs/dbraw/zinc/15/51/53/1367155153.db2.gz TZXDYTQQMNIPQK-FXECBMLZSA-N 2 1 338.455 3.024 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177690 1367193071 /nfs/dbraw/zinc/19/30/71/1367193071.db2.gz RSFYBKONTGTSOH-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190177690 1367193074 /nfs/dbraw/zinc/19/30/74/1367193074.db2.gz RSFYBKONTGTSOH-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190177690 1367193075 /nfs/dbraw/zinc/19/30/75/1367193075.db2.gz RSFYBKONTGTSOH-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560766 1367198640 /nfs/dbraw/zinc/19/86/40/1367198640.db2.gz QINTUKZWWKFYAV-QYZOEREBSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191062419 1367414036 /nfs/dbraw/zinc/41/40/36/1367414036.db2.gz WGSQRDYCDPOSFJ-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191062419 1367414041 /nfs/dbraw/zinc/41/40/41/1367414041.db2.gz WGSQRDYCDPOSFJ-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191062419 1367414044 /nfs/dbraw/zinc/41/40/44/1367414044.db2.gz WGSQRDYCDPOSFJ-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145373 1367431690 /nfs/dbraw/zinc/43/16/90/1367431690.db2.gz TYZMVEIROPUWMS-SFHVURJKSA-N 2 1 335.536 3.118 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704904 1367544874 /nfs/dbraw/zinc/54/48/74/1367544874.db2.gz UVRMHFOXLNFARW-NSHGMRRFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780457 1367592447 /nfs/dbraw/zinc/59/24/47/1367592447.db2.gz BPYSXTZRRRHECJ-FHWLQOOXSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679191 1367848595 /nfs/dbraw/zinc/84/85/95/1367848595.db2.gz BZVCZAAHAFSUHN-IBGZPJMESA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCCOC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001193994062 1368162889 /nfs/dbraw/zinc/16/28/89/1368162889.db2.gz UYSMZLQOZIEVKV-UHFFFAOYSA-N 2 1 334.464 3.352 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150517 1368167051 /nfs/dbraw/zinc/16/70/51/1368167051.db2.gz OPTALVHGOCPLMA-AITUJVMLSA-N 2 1 344.503 3.048 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150517 1368167053 /nfs/dbraw/zinc/16/70/53/1368167053.db2.gz OPTALVHGOCPLMA-AITUJVMLSA-N 2 1 344.503 3.048 20 30 EGEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001111846711 1368501325 /nfs/dbraw/zinc/50/13/25/1368501325.db2.gz AWHONVJAELIWJG-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001111846711 1368501328 /nfs/dbraw/zinc/50/13/28/1368501328.db2.gz AWHONVJAELIWJG-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001111846711 1368501330 /nfs/dbraw/zinc/50/13/30/1368501330.db2.gz AWHONVJAELIWJG-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111857915 1368508783 /nfs/dbraw/zinc/50/87/83/1368508783.db2.gz FMAKQAINZXREKS-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275728 1368581770 /nfs/dbraw/zinc/58/17/70/1368581770.db2.gz MTFYICXYGULGKW-WOJBJXKFSA-N 2 1 347.547 3.284 20 30 EGEDMP CN(C)[C@@H]1[C@H]2C[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C[C@H]21 ZINC001196631434 1368652530 /nfs/dbraw/zinc/65/25/30/1368652530.db2.gz FEZXJNHIUOGSCR-ZBYYUNFXSA-N 2 1 345.490 3.378 20 30 EGEDMP CN(C)[C@@H]1[C@H]2C[N@@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C[C@H]21 ZINC001196631434 1368652535 /nfs/dbraw/zinc/65/25/35/1368652535.db2.gz FEZXJNHIUOGSCR-ZBYYUNFXSA-N 2 1 345.490 3.378 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197899318 1368921809 /nfs/dbraw/zinc/92/18/09/1368921809.db2.gz UGHOQDHGQYBODJ-UHFFFAOYSA-N 2 1 325.541 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001197899318 1368921813 /nfs/dbraw/zinc/92/18/13/1368921813.db2.gz UGHOQDHGQYBODJ-UHFFFAOYSA-N 2 1 325.541 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197899318 1368921815 /nfs/dbraw/zinc/92/18/15/1368921815.db2.gz UGHOQDHGQYBODJ-UHFFFAOYSA-N 2 1 325.541 3.223 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682736 1369563939 /nfs/dbraw/zinc/56/39/39/1369563939.db2.gz PYSWTGPMHBWDSA-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872651 1369914462 /nfs/dbraw/zinc/91/44/62/1369914462.db2.gz KPIFPSQMWUQJOJ-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535453 1370532190 /nfs/dbraw/zinc/53/21/90/1370532190.db2.gz WPZKGDYFYVMWDX-GOSISDBHSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001115545013 1370541762 /nfs/dbraw/zinc/54/17/62/1370541762.db2.gz MUMJWOSAYVXPIK-KRWDZBQOSA-N 2 1 346.519 3.381 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688060 1370671344 /nfs/dbraw/zinc/67/13/44/1370671344.db2.gz IYWPOTCJDDEBNR-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115760823 1370745476 /nfs/dbraw/zinc/74/54/76/1370745476.db2.gz UQMAKXAAXVSCHA-SFHVURJKSA-N 2 1 335.536 3.234 20 30 EGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC001206304689 1371016874 /nfs/dbraw/zinc/01/68/74/1371016874.db2.gz OBLAAVGGRVQYKU-MRXNPFEDSA-N 2 1 336.277 3.272 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207343425 1371365725 /nfs/dbraw/zinc/36/57/25/1371365725.db2.gz IQTGNJFWMJGWGY-QRVBRYPASA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001207343425 1371365737 /nfs/dbraw/zinc/36/57/37/1371365737.db2.gz IQTGNJFWMJGWGY-QRVBRYPASA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001207343425 1371365742 /nfs/dbraw/zinc/36/57/42/1371365742.db2.gz IQTGNJFWMJGWGY-QRVBRYPASA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130428 1371492311 /nfs/dbraw/zinc/49/23/11/1371492311.db2.gz ZMBHYOMOLYNPKN-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431468 1371575099 /nfs/dbraw/zinc/57/50/99/1371575099.db2.gz UDWLSXMEPLEYRK-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431468 1371575102 /nfs/dbraw/zinc/57/51/02/1371575102.db2.gz UDWLSXMEPLEYRK-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431468 1371575107 /nfs/dbraw/zinc/57/51/07/1371575107.db2.gz UDWLSXMEPLEYRK-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431471 1371575727 /nfs/dbraw/zinc/57/57/27/1371575727.db2.gz UDWLSXMEPLEYRK-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431471 1371575731 /nfs/dbraw/zinc/57/57/31/1371575731.db2.gz UDWLSXMEPLEYRK-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431471 1371575733 /nfs/dbraw/zinc/57/57/33/1371575733.db2.gz UDWLSXMEPLEYRK-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001208601902 1371836640 /nfs/dbraw/zinc/83/66/40/1371836640.db2.gz SJJHUBDZNZRYMF-HXUWFJFHSA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCCCCC[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001209423257 1372102066 /nfs/dbraw/zinc/10/20/66/1372102066.db2.gz QNSYDQTXBHTOHF-UHFFFAOYSA-N 2 1 336.520 3.472 20 30 EGEDMP C=CCCCCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001209423528 1372102866 /nfs/dbraw/zinc/10/28/66/1372102866.db2.gz WLTGXZYFSQWLBB-GOSISDBHSA-N 2 1 336.520 3.472 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC[NH+]1CCCCC1)[C@H]2CC ZINC001209451694 1372108849 /nfs/dbraw/zinc/10/88/49/1372108849.db2.gz NZIQGMGKSGJNLR-FPOVZHCZSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211293176 1372522633 /nfs/dbraw/zinc/52/26/33/1372522633.db2.gz XFUMKVKQZLRSCS-MBOZVWFJSA-N 2 1 343.515 3.153 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214850062 1373129647 /nfs/dbraw/zinc/12/96/47/1373129647.db2.gz PBYNPXFLBCCKHU-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092364 1373816029 /nfs/dbraw/zinc/81/60/29/1373816029.db2.gz PUPUUOLWXOUODO-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092364 1373816033 /nfs/dbraw/zinc/81/60/33/1373816033.db2.gz PUPUUOLWXOUODO-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1CCC(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001223929301 1375048071 /nfs/dbraw/zinc/04/80/71/1375048071.db2.gz SVTNQRVTQJEVDT-UHFFFAOYSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001132354397 1375325992 /nfs/dbraw/zinc/32/59/92/1375325992.db2.gz LZGFGLDITBBDLI-XLIONFOSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132364221 1375328418 /nfs/dbraw/zinc/32/84/18/1375328418.db2.gz BDCDLOYSXSIHED-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132364221 1375328422 /nfs/dbraw/zinc/32/84/22/1375328422.db2.gz BDCDLOYSXSIHED-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132364221 1375328427 /nfs/dbraw/zinc/32/84/27/1375328427.db2.gz BDCDLOYSXSIHED-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132364223 1375328922 /nfs/dbraw/zinc/32/89/22/1375328922.db2.gz BDCDLOYSXSIHED-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132364223 1375328931 /nfs/dbraw/zinc/32/89/31/1375328931.db2.gz BDCDLOYSXSIHED-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132364223 1375328936 /nfs/dbraw/zinc/32/89/36/1375328936.db2.gz BDCDLOYSXSIHED-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485491 1375418511 /nfs/dbraw/zinc/41/85/11/1375418511.db2.gz IBQXPXHRKCAYNV-AEFFLSMTSA-N 2 1 334.508 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485491 1375418513 /nfs/dbraw/zinc/41/85/13/1375418513.db2.gz IBQXPXHRKCAYNV-AEFFLSMTSA-N 2 1 334.508 3.131 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494233 1375424495 /nfs/dbraw/zinc/42/44/95/1375424495.db2.gz PXSZXELRRRZZCH-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001227390063 1375424943 /nfs/dbraw/zinc/42/49/43/1375424943.db2.gz LZPSRSOGUZMDBG-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132978635 1375690636 /nfs/dbraw/zinc/69/06/36/1375690636.db2.gz VHPJXFFYKHILBI-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463072 1375840060 /nfs/dbraw/zinc/84/00/60/1375840060.db2.gz XSLXWWGFHHZPBN-IEBWSBKVSA-N 2 1 335.536 3.185 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001230284602 1375984090 /nfs/dbraw/zinc/98/40/90/1375984090.db2.gz NHSNRWXRHNGOOJ-QZTJIDSGSA-N 2 1 325.541 3.314 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791845 1376724866 /nfs/dbraw/zinc/72/48/66/1376724866.db2.gz WIVARIHLLVZYMK-IAGOWNOFSA-N 2 1 337.552 3.479 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136413 1388464587 /nfs/dbraw/zinc/46/45/87/1388464587.db2.gz XIDJLUAGGLZYJW-RBUKOAKNSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136413 1388464591 /nfs/dbraw/zinc/46/45/91/1388464591.db2.gz XIDJLUAGGLZYJW-RBUKOAKNSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136413 1388464592 /nfs/dbraw/zinc/46/45/92/1388464592.db2.gz XIDJLUAGGLZYJW-RBUKOAKNSA-N 2 1 349.563 3.221 20 30 EGEDMP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Br)c(C#N)c1)CC2 ZINC001275600730 1378145456 /nfs/dbraw/zinc/14/54/56/1378145456.db2.gz VDWBAUSUJWBRRA-UHFFFAOYSA-N 2 1 348.288 3.238 20 30 EGEDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Br)c(C#N)c1)CC2 ZINC001275600730 1378145460 /nfs/dbraw/zinc/14/54/60/1378145460.db2.gz VDWBAUSUJWBRRA-UHFFFAOYSA-N 2 1 348.288 3.238 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160286678 1382061946 /nfs/dbraw/zinc/06/19/46/1382061946.db2.gz WAFFCOODMUOVOE-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160286678 1382061952 /nfs/dbraw/zinc/06/19/52/1382061952.db2.gz WAFFCOODMUOVOE-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160286678 1382061956 /nfs/dbraw/zinc/06/19/56/1382061956.db2.gz WAFFCOODMUOVOE-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391927 1382397331 /nfs/dbraw/zinc/39/73/31/1382397331.db2.gz ZGIOKYUJJYEKEO-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391927 1382397334 /nfs/dbraw/zinc/39/73/34/1382397334.db2.gz ZGIOKYUJJYEKEO-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391927 1382397342 /nfs/dbraw/zinc/39/73/42/1382397342.db2.gz ZGIOKYUJJYEKEO-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161704546 1382485399 /nfs/dbraw/zinc/48/53/99/1382485399.db2.gz CKQOKHBVINILJN-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161704546 1382485401 /nfs/dbraw/zinc/48/54/01/1382485401.db2.gz CKQOKHBVINILJN-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161704546 1382485403 /nfs/dbraw/zinc/48/54/03/1382485403.db2.gz CKQOKHBVINILJN-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161870148 1382534960 /nfs/dbraw/zinc/53/49/60/1382534960.db2.gz VWCGLWDMKCGOMM-IBGZPJMESA-N 2 1 335.536 3.047 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161870148 1382534963 /nfs/dbraw/zinc/53/49/63/1382534963.db2.gz VWCGLWDMKCGOMM-IBGZPJMESA-N 2 1 335.536 3.047 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161870148 1382534967 /nfs/dbraw/zinc/53/49/67/1382534967.db2.gz VWCGLWDMKCGOMM-IBGZPJMESA-N 2 1 335.536 3.047 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952963 1382569702 /nfs/dbraw/zinc/56/97/02/1382569702.db2.gz MYCPOKUKEHDVOL-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952963 1382569706 /nfs/dbraw/zinc/56/97/06/1382569706.db2.gz MYCPOKUKEHDVOL-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952963 1382569712 /nfs/dbraw/zinc/56/97/12/1382569712.db2.gz MYCPOKUKEHDVOL-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP N#Cc1c2c(c[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1)CCN2Cc1ccccc1 ZINC001162393337 1382746538 /nfs/dbraw/zinc/74/65/38/1382746538.db2.gz JZYWRJOCUVIXOG-ROUUACIJSA-N 2 1 347.466 3.198 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687265 1383460478 /nfs/dbraw/zinc/46/04/78/1383460478.db2.gz LHGIMGWZBMEAJZ-LJQANCHMSA-N 2 1 343.531 3.265 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618208 1384581542 /nfs/dbraw/zinc/58/15/42/1384581542.db2.gz GAACXJSHXMZWTC-QGZVFWFLSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171644615 1384591164 /nfs/dbraw/zinc/59/11/64/1384591164.db2.gz HGCJYHRYVSKILN-HNNXBMFYSA-N 2 1 337.508 3.014 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918574 1384681370 /nfs/dbraw/zinc/68/13/70/1384681370.db2.gz QJGFISXNCZEPFM-SFHVURJKSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)C(=O)OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970841 1384698986 /nfs/dbraw/zinc/69/89/86/1384698986.db2.gz FJSCPTZETJFCIP-GOSISDBHSA-N 2 1 330.472 3.139 20 30 EGEDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001171980852 1384702112 /nfs/dbraw/zinc/70/21/12/1384702112.db2.gz UDNOQEYDYOFQBG-IBGZPJMESA-N 2 1 334.467 3.486 20 30 EGEDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC001171980852 1384702115 /nfs/dbraw/zinc/70/21/15/1384702115.db2.gz UDNOQEYDYOFQBG-IBGZPJMESA-N 2 1 334.467 3.486 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172116972 1384732089 /nfs/dbraw/zinc/73/20/89/1384732089.db2.gz HSTKPTRSHSLXHQ-HGJUEJDCSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116972 1384732091 /nfs/dbraw/zinc/73/20/91/1384732091.db2.gz HSTKPTRSHSLXHQ-HGJUEJDCSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116972 1384732094 /nfs/dbraw/zinc/73/20/94/1384732094.db2.gz HSTKPTRSHSLXHQ-HGJUEJDCSA-N 2 1 348.531 3.075 20 30 EGEDMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)CCCC#N)CC[C@@H]21 ZINC001172493380 1384804015 /nfs/dbraw/zinc/80/40/15/1384804015.db2.gz AHUKQBDMNBPMTJ-ZRNYENFQSA-N 2 1 343.519 3.139 20 30 EGEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@H](C)CCCC#N)CC[C@@H]21 ZINC001172493380 1384804018 /nfs/dbraw/zinc/80/40/18/1384804018.db2.gz AHUKQBDMNBPMTJ-ZRNYENFQSA-N 2 1 343.519 3.139 20 30 EGEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@H](C)CCCC#N)CC[C@@H]21 ZINC001172493380 1384804021 /nfs/dbraw/zinc/80/40/21/1384804021.db2.gz AHUKQBDMNBPMTJ-ZRNYENFQSA-N 2 1 343.519 3.139 20 30 EGEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@H](C)CCCC#N)CC[C@@H]21 ZINC001172493380 1384804024 /nfs/dbraw/zinc/80/40/24/1384804024.db2.gz AHUKQBDMNBPMTJ-ZRNYENFQSA-N 2 1 343.519 3.139 20 30 EGEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880042 1385163721 /nfs/dbraw/zinc/16/37/21/1385163721.db2.gz BZBGDBKQLJKUFM-IEBWSBKVSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174879958 1385163824 /nfs/dbraw/zinc/16/38/24/1385163824.db2.gz AQFITFSGYDGXEY-OALUTQOASA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175566642 1385334033 /nfs/dbraw/zinc/33/40/33/1385334033.db2.gz XFXWVPCYOJVZLQ-KRWDZBQOSA-N 2 1 334.508 3.237 20 30 EGEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001176120200 1385489536 /nfs/dbraw/zinc/48/95/36/1385489536.db2.gz KKIMGYASMNFDTO-IEBWSBKVSA-N 2 1 331.504 3.130 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001177317173 1385911446 /nfs/dbraw/zinc/91/14/46/1385911446.db2.gz PDNNAWGTOWDNKP-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001177416223 1385949417 /nfs/dbraw/zinc/94/94/17/1385949417.db2.gz WLGOGESWMWMOEI-UHFFFAOYSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001177488960 1385976606 /nfs/dbraw/zinc/97/66/06/1385976606.db2.gz PKFSTXYBZIYFAC-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484577 1386232057 /nfs/dbraw/zinc/23/20/57/1386232057.db2.gz VJTKBRJNUYBLLD-OALUTQOASA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001179585444 1386523455 /nfs/dbraw/zinc/52/34/55/1386523455.db2.gz HYKGKVUEBJXGEY-IBGZPJMESA-N 2 1 337.552 3.341 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001179587186 1386523822 /nfs/dbraw/zinc/52/38/22/1386523822.db2.gz XGFFIRBAGFRANN-RBUKOAKNSA-N 2 1 337.552 3.197 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001179587182 1386523835 /nfs/dbraw/zinc/52/38/35/1386523835.db2.gz XGFFIRBAGFRANN-MOPGFXCFSA-N 2 1 337.552 3.197 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274510 1386752458 /nfs/dbraw/zinc/75/24/58/1386752458.db2.gz HXWLWMRDMSFKMZ-UHFFFAOYSA-N 2 1 334.508 3.204 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180452138 1386800840 /nfs/dbraw/zinc/80/08/40/1386800840.db2.gz NFTORUPFXMTCJP-UHFFFAOYSA-N 2 1 345.531 3.351 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180452138 1386800845 /nfs/dbraw/zinc/80/08/45/1386800845.db2.gz NFTORUPFXMTCJP-UHFFFAOYSA-N 2 1 345.531 3.351 20 30 EGEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001182345506 1387153479 /nfs/dbraw/zinc/15/34/79/1387153479.db2.gz BIRKZQNXIDHZET-SLYNCCJLSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001717129535 1421130681 /nfs/dbraw/zinc/13/06/81/1421130681.db2.gz NJLQYOXTDLSLDY-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752320398 1440170436 /nfs/dbraw/zinc/17/04/36/1440170436.db2.gz GIUGRUXELPCXDM-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752320398 1440170437 /nfs/dbraw/zinc/17/04/37/1440170437.db2.gz GIUGRUXELPCXDM-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001752320398 1440170438 /nfs/dbraw/zinc/17/04/38/1440170438.db2.gz GIUGRUXELPCXDM-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752835103 1440227177 /nfs/dbraw/zinc/22/71/77/1440227177.db2.gz BETFXRHMQGFDHE-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752840751 1440230282 /nfs/dbraw/zinc/23/02/82/1440230282.db2.gz MGJNNUKUOYWHRX-ROUUACIJSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752840751 1440230283 /nfs/dbraw/zinc/23/02/83/1440230283.db2.gz MGJNNUKUOYWHRX-ROUUACIJSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752841756 1440230874 /nfs/dbraw/zinc/23/08/74/1440230874.db2.gz UBZHBXNJAAVULK-ICSRJNTNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001753317668 1440360817 /nfs/dbraw/zinc/36/08/17/1440360817.db2.gz SVDHCAUYDRMHJC-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001753317668 1440360818 /nfs/dbraw/zinc/36/08/18/1440360818.db2.gz SVDHCAUYDRMHJC-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001753317668 1440360819 /nfs/dbraw/zinc/36/08/19/1440360819.db2.gz SVDHCAUYDRMHJC-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753322839 1440364591 /nfs/dbraw/zinc/36/45/91/1440364591.db2.gz KFWKGICJZDHNLJ-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753322839 1440364592 /nfs/dbraw/zinc/36/45/92/1440364592.db2.gz KFWKGICJZDHNLJ-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001753322839 1440364593 /nfs/dbraw/zinc/36/45/93/1440364593.db2.gz KFWKGICJZDHNLJ-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001753322839 1440364594 /nfs/dbraw/zinc/36/45/94/1440364594.db2.gz KFWKGICJZDHNLJ-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753472789 1440414444 /nfs/dbraw/zinc/41/44/44/1440414444.db2.gz BGJTVHCNRRSPDU-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001754540436 1440626018 /nfs/dbraw/zinc/62/60/18/1440626018.db2.gz VMCOWJUPRGFAKM-NXEWRWPSSA-N 2 1 347.547 3.327 20 30 EGEDMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001754544564 1440626972 /nfs/dbraw/zinc/62/69/72/1440626972.db2.gz BKHPTPNKPVFQRZ-RAFMOHDBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754928827 1440710216 /nfs/dbraw/zinc/71/02/16/1440710216.db2.gz YZCUHIMYSPPQJU-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001754948342 1440714205 /nfs/dbraw/zinc/71/42/05/1440714205.db2.gz YKSUENXCLUEVNB-VQIMIIECSA-N 2 1 329.488 3.014 20 30 EGEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001754954191 1440715903 /nfs/dbraw/zinc/71/59/03/1440715903.db2.gz NELNNTXNZJPARP-UHFFFAOYSA-N 2 1 343.515 3.041 20 30 EGEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001755042364 1440738164 /nfs/dbraw/zinc/73/81/64/1440738164.db2.gz MEYCIHXPFUGFMY-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755042364 1440738165 /nfs/dbraw/zinc/73/81/65/1440738165.db2.gz MEYCIHXPFUGFMY-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755042364 1440738166 /nfs/dbraw/zinc/73/81/66/1440738166.db2.gz MEYCIHXPFUGFMY-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001755195049 1440776447 /nfs/dbraw/zinc/77/64/47/1440776447.db2.gz IFNXBDPNXJANDK-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001755195049 1440776448 /nfs/dbraw/zinc/77/64/48/1440776448.db2.gz IFNXBDPNXJANDK-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755195049 1440776449 /nfs/dbraw/zinc/77/64/49/1440776449.db2.gz IFNXBDPNXJANDK-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755536182 1440869436 /nfs/dbraw/zinc/86/94/36/1440869436.db2.gz JSSBRKXIRIFLDP-HXUWFJFHSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755536182 1440869437 /nfs/dbraw/zinc/86/94/37/1440869437.db2.gz JSSBRKXIRIFLDP-HXUWFJFHSA-N 2 1 343.515 3.178 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191430451 239106118 /nfs/dbraw/zinc/10/61/18/239106118.db2.gz IGTJUJMZRNIWSZ-KRWDZBQOSA-N 2 1 328.504 3.373 20 30 EGEDMP COCC[N@@H+](C)CC[C@@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000344231397 164131785 /nfs/dbraw/zinc/13/17/85/164131785.db2.gz LBAYDBQNBQQKSH-LJQANCHMSA-N 2 1 343.496 3.419 20 30 EGEDMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000367518874 168235629 /nfs/dbraw/zinc/23/56/29/168235629.db2.gz KRNYEWDXBULNMS-QZTJIDSGSA-N 2 1 340.515 3.237 20 30 EGEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000367518874 168235631 /nfs/dbraw/zinc/23/56/31/168235631.db2.gz KRNYEWDXBULNMS-QZTJIDSGSA-N 2 1 340.515 3.237 20 30 EGEDMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000367518876 168235746 /nfs/dbraw/zinc/23/57/46/168235746.db2.gz KRNYEWDXBULNMS-ZWKOTPCHSA-N 2 1 340.515 3.237 20 30 EGEDMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000367518876 168235747 /nfs/dbraw/zinc/23/57/47/168235747.db2.gz KRNYEWDXBULNMS-ZWKOTPCHSA-N 2 1 340.515 3.237 20 30 EGEDMP N#Cc1cccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247046051 455550995 /nfs/dbraw/zinc/55/09/95/455550995.db2.gz ZCCCQEPHLCMHJP-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247046051 455550997 /nfs/dbraw/zinc/55/09/97/455550997.db2.gz ZCCCQEPHLCMHJP-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247046051 455551000 /nfs/dbraw/zinc/55/10/00/455551000.db2.gz ZCCCQEPHLCMHJP-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247046051 455551005 /nfs/dbraw/zinc/55/10/05/455551005.db2.gz ZCCCQEPHLCMHJP-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247046051 455551011 /nfs/dbraw/zinc/55/10/11/455551011.db2.gz ZCCCQEPHLCMHJP-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247046051 455551013 /nfs/dbraw/zinc/55/10/13/455551013.db2.gz ZCCCQEPHLCMHJP-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC000248900818 455738504 /nfs/dbraw/zinc/73/85/04/455738504.db2.gz ULLHHUGMTYPGJL-CEWLAPEOSA-N 2 1 340.515 3.037 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000295130188 455840199 /nfs/dbraw/zinc/84/01/99/455840199.db2.gz ZUFKHZXUKJHQKC-QGZVFWFLSA-N 2 1 329.488 3.072 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000295130188 455840204 /nfs/dbraw/zinc/84/02/04/455840204.db2.gz ZUFKHZXUKJHQKC-QGZVFWFLSA-N 2 1 329.488 3.072 20 30 EGEDMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000348719229 456827807 /nfs/dbraw/zinc/82/78/07/456827807.db2.gz ZNEFSFDVXRETQH-UHFFFAOYSA-N 2 1 344.478 3.046 20 30 EGEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358140380 457810058 /nfs/dbraw/zinc/81/00/58/457810058.db2.gz MXQFDIPHKGDEDH-HJZRJOMTSA-N 2 1 327.472 3.178 20 30 EGEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358140380 457810064 /nfs/dbraw/zinc/81/00/64/457810064.db2.gz MXQFDIPHKGDEDH-HJZRJOMTSA-N 2 1 327.472 3.178 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000414275949 458317340 /nfs/dbraw/zinc/31/73/40/458317340.db2.gz XHPLOKXZWOXNCV-XRXFAXGQSA-N 2 1 341.499 3.195 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000414275949 458317347 /nfs/dbraw/zinc/31/73/47/458317347.db2.gz XHPLOKXZWOXNCV-XRXFAXGQSA-N 2 1 341.499 3.195 20 30 EGEDMP C=CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000414742890 458325531 /nfs/dbraw/zinc/32/55/31/458325531.db2.gz MQMPAGURRFOAOC-MISYRCLQSA-N 2 1 344.499 3.037 20 30 EGEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000414742890 458325537 /nfs/dbraw/zinc/32/55/37/458325537.db2.gz MQMPAGURRFOAOC-MISYRCLQSA-N 2 1 344.499 3.037 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453171897 458521569 /nfs/dbraw/zinc/52/15/69/458521569.db2.gz XCQDZKKJPSUSKK-DOIPELPJSA-N 2 1 328.500 3.204 20 30 EGEDMP C=C(C)COCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612487 458785675 /nfs/dbraw/zinc/78/56/75/458785675.db2.gz OSPUQCRPLYJHJD-PCCBWWKXSA-N 2 1 328.500 3.469 20 30 EGEDMP C=CCCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520968299 459106871 /nfs/dbraw/zinc/10/68/71/459106871.db2.gz KYYUPMJVZYHOSX-OAQYLSRUSA-N 2 1 327.516 3.235 20 30 EGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC[C@@H](C#N)CCC#N ZINC000559703650 459273331 /nfs/dbraw/zinc/27/33/31/459273331.db2.gz SRMXMQKZPJYVQZ-QGZVFWFLSA-N 2 1 336.439 3.445 20 30 EGEDMP N#CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000597174284 459862518 /nfs/dbraw/zinc/86/25/18/459862518.db2.gz OPECJVFHNURYAF-SFHVURJKSA-N 2 1 327.472 3.287 20 30 EGEDMP C[C@@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000602512273 459976129 /nfs/dbraw/zinc/97/61/29/459976129.db2.gz XEBDABXRONVKIY-OKZBNKHCSA-N 2 1 329.488 3.325 20 30 EGEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1c1cccs1 ZINC000598718882 460004314 /nfs/dbraw/zinc/00/43/14/460004314.db2.gz HKNAAEXFVUICLS-BFYDXBDKSA-N 2 1 335.517 3.021 20 30 EGEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1c1cccs1 ZINC000598718882 460004322 /nfs/dbraw/zinc/00/43/22/460004322.db2.gz HKNAAEXFVUICLS-BFYDXBDKSA-N 2 1 335.517 3.021 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647977987 461920378 /nfs/dbraw/zinc/92/03/78/461920378.db2.gz KRLYJTJQAKNFBI-OALUTQOASA-N 2 1 343.515 3.185 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000153000531 526603771 /nfs/dbraw/zinc/60/37/71/526603771.db2.gz ZNANEWGUSIDBHQ-MRXNPFEDSA-N 2 1 332.488 3.265 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000152956521 526606057 /nfs/dbraw/zinc/60/60/57/526606057.db2.gz KDMJEWVZVMAQQT-MRXNPFEDSA-N 2 1 343.471 3.334 20 30 EGEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCc2ccccc21 ZINC000103903127 1293017698 /nfs/dbraw/zinc/01/76/98/1293017698.db2.gz NVTFLYRRRKCEIU-KRWDZBQOSA-N 2 1 328.504 3.135 20 30 EGEDMP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000303787589 1296854696 /nfs/dbraw/zinc/85/46/96/1296854696.db2.gz SNYYESAPFFCLMP-HXUWFJFHSA-N 2 1 336.483 3.075 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=[NH2+])N(C)C3CC3)cc2)C1 ZINC000305796907 1297052651 /nfs/dbraw/zinc/05/26/51/1297052651.db2.gz AYBWXHKQAJXDBZ-IYBDPMFKSA-N 2 1 328.504 3.073 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1OC ZINC000895290036 1309272092 /nfs/dbraw/zinc/27/20/92/1309272092.db2.gz BVVQIYUPXNCDEC-CYBMUJFWSA-N 2 1 326.868 3.343 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000793745843 1309434453 /nfs/dbraw/zinc/43/44/53/1309434453.db2.gz PGCLFQRQUFXGBN-IBGZPJMESA-N 2 1 342.512 3.300 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000793745843 1309434455 /nfs/dbraw/zinc/43/44/55/1309434455.db2.gz PGCLFQRQUFXGBN-IBGZPJMESA-N 2 1 342.512 3.300 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000793745843 1309434461 /nfs/dbraw/zinc/43/44/61/1309434461.db2.gz PGCLFQRQUFXGBN-IBGZPJMESA-N 2 1 342.512 3.300 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000793745843 1309434463 /nfs/dbraw/zinc/43/44/63/1309434463.db2.gz PGCLFQRQUFXGBN-IBGZPJMESA-N 2 1 342.512 3.300 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(COC(C)=O)c2)CC1 ZINC000903093976 1317651414 /nfs/dbraw/zinc/65/14/14/1317651414.db2.gz VUGVTWHIKCMFRQ-MRXNPFEDSA-N 2 1 330.472 3.441 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])ccc1OC ZINC000817917384 1319460120 /nfs/dbraw/zinc/46/01/20/1319460120.db2.gz FJKMUGQWGMUIRP-IXDOHACOSA-N 2 1 331.460 3.126 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632954 1319752872 /nfs/dbraw/zinc/75/28/72/1319752872.db2.gz SDAAECJBNNAXFJ-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632954 1319752880 /nfs/dbraw/zinc/75/28/80/1319752880.db2.gz SDAAECJBNNAXFJ-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632954 1319752890 /nfs/dbraw/zinc/75/28/90/1319752890.db2.gz SDAAECJBNNAXFJ-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439724 1323402083 /nfs/dbraw/zinc/40/20/83/1323402083.db2.gz FJMLZTBSSLBRLC-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024439724 1323402088 /nfs/dbraw/zinc/40/20/88/1323402088.db2.gz FJMLZTBSSLBRLC-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024439724 1323402093 /nfs/dbraw/zinc/40/20/93/1323402093.db2.gz FJMLZTBSSLBRLC-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453277 1324294375 /nfs/dbraw/zinc/29/43/75/1324294375.db2.gz PMGYPMXDAZPNCG-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP CC(C)[N@H+]1CCCC[C@H]1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000853643065 1325139522 /nfs/dbraw/zinc/13/95/22/1325139522.db2.gz PEAPEQDOEMUOEY-FQEVSTJZSA-N 2 1 345.487 3.137 20 30 EGEDMP CC(C)[N@H+]1CCCC[C@H]1CO[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000853643065 1325139530 /nfs/dbraw/zinc/13/95/30/1325139530.db2.gz PEAPEQDOEMUOEY-FQEVSTJZSA-N 2 1 345.487 3.137 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947309561 1333083918 /nfs/dbraw/zinc/08/39/18/1333083918.db2.gz FMAMCBHKJRYHRM-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908266 1333302375 /nfs/dbraw/zinc/30/23/75/1333302375.db2.gz QUBICYOAKJEMJZ-PXNSSMCTSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423618 1333519758 /nfs/dbraw/zinc/51/97/58/1333519758.db2.gz BFYJRTZROACCCT-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423618 1333519761 /nfs/dbraw/zinc/51/97/61/1333519761.db2.gz BFYJRTZROACCCT-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423618 1333519763 /nfs/dbraw/zinc/51/97/63/1333519763.db2.gz BFYJRTZROACCCT-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948440032 1333526296 /nfs/dbraw/zinc/52/62/96/1333526296.db2.gz ZUTSZBXHDXBKNT-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440032 1333526298 /nfs/dbraw/zinc/52/62/98/1333526298.db2.gz ZUTSZBXHDXBKNT-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440032 1333526299 /nfs/dbraw/zinc/52/62/99/1333526299.db2.gz ZUTSZBXHDXBKNT-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873270 1336414276 /nfs/dbraw/zinc/41/42/76/1336414276.db2.gz LRWCDACJBOZVFV-HXUWFJFHSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028543771 1340695302 /nfs/dbraw/zinc/69/53/02/1340695302.db2.gz YMUPEXMGLVDVLD-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028543771 1340695303 /nfs/dbraw/zinc/69/53/03/1340695303.db2.gz YMUPEXMGLVDVLD-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028543771 1340695305 /nfs/dbraw/zinc/69/53/05/1340695305.db2.gz YMUPEXMGLVDVLD-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214148 1344929991 /nfs/dbraw/zinc/92/99/91/1344929991.db2.gz NSDSZBFKWNXXLA-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214148 1344929993 /nfs/dbraw/zinc/92/99/93/1344929993.db2.gz NSDSZBFKWNXXLA-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214148 1344929994 /nfs/dbraw/zinc/92/99/94/1344929994.db2.gz NSDSZBFKWNXXLA-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039457987 1345077428 /nfs/dbraw/zinc/07/74/28/1345077428.db2.gz AHQFQYUPXOBIHK-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039457987 1345077431 /nfs/dbraw/zinc/07/74/31/1345077431.db2.gz AHQFQYUPXOBIHK-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039457987 1345077434 /nfs/dbraw/zinc/07/74/34/1345077434.db2.gz AHQFQYUPXOBIHK-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001040912950 1345599335 /nfs/dbraw/zinc/59/93/35/1345599335.db2.gz WLQREEDLBWDQGE-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726508 1345833505 /nfs/dbraw/zinc/83/35/05/1345833505.db2.gz ZMQSTPFLLJDEPA-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045944082 1346780225 /nfs/dbraw/zinc/78/02/25/1346780225.db2.gz WXDYCDYQSGWSIP-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045944082 1346780228 /nfs/dbraw/zinc/78/02/28/1346780228.db2.gz WXDYCDYQSGWSIP-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045944082 1346780230 /nfs/dbraw/zinc/78/02/30/1346780230.db2.gz WXDYCDYQSGWSIP-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045948462 1346783257 /nfs/dbraw/zinc/78/32/57/1346783257.db2.gz JYVRHTNANYBFOT-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948462 1346783258 /nfs/dbraw/zinc/78/32/58/1346783258.db2.gz JYVRHTNANYBFOT-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948462 1346783259 /nfs/dbraw/zinc/78/32/59/1346783259.db2.gz JYVRHTNANYBFOT-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986183 1346827475 /nfs/dbraw/zinc/82/74/75/1346827475.db2.gz JICLJFSPRMVTTC-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986183 1346827478 /nfs/dbraw/zinc/82/74/78/1346827478.db2.gz JICLJFSPRMVTTC-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986183 1346827479 /nfs/dbraw/zinc/82/74/79/1346827479.db2.gz JICLJFSPRMVTTC-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486601 1347872213 /nfs/dbraw/zinc/87/22/13/1347872213.db2.gz SEADCOQEAIIRHR-OKZBNKHCSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486601 1347872215 /nfs/dbraw/zinc/87/22/15/1347872215.db2.gz SEADCOQEAIIRHR-OKZBNKHCSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763712 1348008274 /nfs/dbraw/zinc/00/82/74/1348008274.db2.gz XOJGXFSFGWQABE-ZWKOTPCHSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763712 1348008278 /nfs/dbraw/zinc/00/82/78/1348008278.db2.gz XOJGXFSFGWQABE-ZWKOTPCHSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071975788 1355055473 /nfs/dbraw/zinc/05/54/73/1355055473.db2.gz ZERVNLQEAGMXTG-PXNSSMCTSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049527 1358378709 /nfs/dbraw/zinc/37/87/09/1358378709.db2.gz HPBCSSZSNBDKIK-ZCNNSNEGSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001088367627 1359851751 /nfs/dbraw/zinc/85/17/51/1359851751.db2.gz OURHPOYXHFYIMY-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088395023 1359870821 /nfs/dbraw/zinc/87/08/21/1359870821.db2.gz VCLCHVGVDWAYCQ-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407309 1360406099 /nfs/dbraw/zinc/40/60/99/1360406099.db2.gz YIVYDORTEJBUBE-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407309 1360406100 /nfs/dbraw/zinc/40/61/00/1360406100.db2.gz YIVYDORTEJBUBE-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407309 1360406102 /nfs/dbraw/zinc/40/61/02/1360406102.db2.gz YIVYDORTEJBUBE-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089442745 1360432832 /nfs/dbraw/zinc/43/28/32/1360432832.db2.gz SCVZPFCGGZNIGL-QGZVFWFLSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089526603 1360490590 /nfs/dbraw/zinc/49/05/90/1360490590.db2.gz DRHQOYMPVZCXCR-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089661474 1360572783 /nfs/dbraw/zinc/57/27/83/1360572783.db2.gz XITVFWMQTMQAFD-INIZCTEOSA-N 2 1 340.471 3.049 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089670381 1360580003 /nfs/dbraw/zinc/58/00/03/1360580003.db2.gz DONRWSPSGTVKFX-GOSISDBHSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089733797 1360638787 /nfs/dbraw/zinc/63/87/87/1360638787.db2.gz BUVKMXYRLOWUMN-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089733797 1360638789 /nfs/dbraw/zinc/63/87/89/1360638789.db2.gz BUVKMXYRLOWUMN-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089733797 1360638795 /nfs/dbraw/zinc/63/87/95/1360638795.db2.gz BUVKMXYRLOWUMN-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676745 1361439725 /nfs/dbraw/zinc/43/97/25/1361439725.db2.gz KWAUVLQBWCBYOQ-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676745 1361439729 /nfs/dbraw/zinc/43/97/29/1361439729.db2.gz KWAUVLQBWCBYOQ-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676745 1361439731 /nfs/dbraw/zinc/43/97/31/1361439731.db2.gz KWAUVLQBWCBYOQ-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184809402 1387543685 /nfs/dbraw/zinc/54/36/85/1387543685.db2.gz FUQFSIJXAZXENS-HKUYNNGSSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001098976060 1363549858 /nfs/dbraw/zinc/54/98/58/1363549858.db2.gz PYWJJMHGTWEFLM-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976060 1363549860 /nfs/dbraw/zinc/54/98/60/1363549860.db2.gz PYWJJMHGTWEFLM-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001098976060 1363549865 /nfs/dbraw/zinc/54/98/65/1363549865.db2.gz PYWJJMHGTWEFLM-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991304 1363560683 /nfs/dbraw/zinc/56/06/83/1363560683.db2.gz WJXWCTCNTLBRAF-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098991304 1363560687 /nfs/dbraw/zinc/56/06/87/1363560687.db2.gz WJXWCTCNTLBRAF-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098991304 1363560692 /nfs/dbraw/zinc/56/06/92/1363560692.db2.gz WJXWCTCNTLBRAF-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106281 1363625526 /nfs/dbraw/zinc/62/55/26/1363625526.db2.gz CPFANEPYGQXDDF-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106281 1363625530 /nfs/dbraw/zinc/62/55/30/1363625530.db2.gz CPFANEPYGQXDDF-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106281 1363625533 /nfs/dbraw/zinc/62/55/33/1363625533.db2.gz CPFANEPYGQXDDF-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001099130410 1363643012 /nfs/dbraw/zinc/64/30/12/1363643012.db2.gz LYBCUMOGHXOJSD-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099234005 1363705454 /nfs/dbraw/zinc/70/54/54/1363705454.db2.gz FUPJDXKUFPTCAC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234005 1363705456 /nfs/dbraw/zinc/70/54/56/1363705456.db2.gz FUPJDXKUFPTCAC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234005 1363705457 /nfs/dbraw/zinc/70/54/57/1363705457.db2.gz FUPJDXKUFPTCAC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001099324273 1363750819 /nfs/dbraw/zinc/75/08/19/1363750819.db2.gz IQXNQQBDKQWNGZ-NQIIRXRSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001099324273 1363750821 /nfs/dbraw/zinc/75/08/21/1363750821.db2.gz IQXNQQBDKQWNGZ-NQIIRXRSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001099324273 1363750826 /nfs/dbraw/zinc/75/08/26/1363750826.db2.gz IQXNQQBDKQWNGZ-NQIIRXRSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729931 1364238204 /nfs/dbraw/zinc/23/82/04/1364238204.db2.gz WEAKUHMVAMLAOV-WWDZGPRUSA-N 2 1 346.519 3.236 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101441191 1364565561 /nfs/dbraw/zinc/56/55/61/1364565561.db2.gz NCVAYDZBAZKCLI-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441191 1364565565 /nfs/dbraw/zinc/56/55/65/1364565565.db2.gz NCVAYDZBAZKCLI-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441191 1364565568 /nfs/dbraw/zinc/56/55/68/1364565568.db2.gz NCVAYDZBAZKCLI-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001101574211 1364629172 /nfs/dbraw/zinc/62/91/72/1364629172.db2.gz XINZPEIUOPFVTL-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101575011 1364629233 /nfs/dbraw/zinc/62/92/33/1364629233.db2.gz PEYRWNXBLPZDMN-MJGOQNOKSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101594578 1364645722 /nfs/dbraw/zinc/64/57/22/1364645722.db2.gz GCQJEVLOOTUUQN-MSOLQXFVSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101597633 1364648362 /nfs/dbraw/zinc/64/83/62/1364648362.db2.gz UPBCSVFVHGBHSQ-UHFFFAOYSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190127 1364923709 /nfs/dbraw/zinc/92/37/09/1364923709.db2.gz SEMRDQMQFZWIJS-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190127 1364923712 /nfs/dbraw/zinc/92/37/12/1364923712.db2.gz SEMRDQMQFZWIJS-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190127 1364923714 /nfs/dbraw/zinc/92/37/14/1364923714.db2.gz SEMRDQMQFZWIJS-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215566 1364938040 /nfs/dbraw/zinc/93/80/40/1364938040.db2.gz SQSQZWMJVGTCGR-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103148244 1365409813 /nfs/dbraw/zinc/40/98/13/1365409813.db2.gz TUHMQSLWUPUCFP-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103148244 1365409814 /nfs/dbraw/zinc/40/98/14/1365409814.db2.gz TUHMQSLWUPUCFP-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103148244 1365409816 /nfs/dbraw/zinc/40/98/16/1365409816.db2.gz TUHMQSLWUPUCFP-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001103757089 1365766628 /nfs/dbraw/zinc/76/66/28/1365766628.db2.gz LRIBSRHBWNOPLD-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104680745 1366129096 /nfs/dbraw/zinc/12/90/96/1366129096.db2.gz WUKUPCVXMUTXEQ-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542057 1366520806 /nfs/dbraw/zinc/52/08/06/1366520806.db2.gz OBYFDYZEUAEEST-LJQANCHMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001105556551 1366529475 /nfs/dbraw/zinc/52/94/75/1366529475.db2.gz JRPSDNFFIUDLNU-FHWLQOOXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105564058 1366533513 /nfs/dbraw/zinc/53/35/13/1366533513.db2.gz VSGRBEXPDVWAEO-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665077 1366768638 /nfs/dbraw/zinc/76/86/38/1366768638.db2.gz HACFKAYGPMJUDX-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107329315 1366930130 /nfs/dbraw/zinc/93/01/30/1366930130.db2.gz PZBATVZTDAYCNC-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329315 1366930133 /nfs/dbraw/zinc/93/01/33/1366930133.db2.gz PZBATVZTDAYCNC-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329315 1366930134 /nfs/dbraw/zinc/93/01/34/1366930134.db2.gz PZBATVZTDAYCNC-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107412292 1366956429 /nfs/dbraw/zinc/95/64/29/1366956429.db2.gz SGRRAYYGYNNKFK-QEUVDIPISA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107412292 1366956430 /nfs/dbraw/zinc/95/64/30/1366956430.db2.gz SGRRAYYGYNNKFK-QEUVDIPISA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107412292 1366956432 /nfs/dbraw/zinc/95/64/32/1366956432.db2.gz SGRRAYYGYNNKFK-QEUVDIPISA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524070 1367017942 /nfs/dbraw/zinc/01/79/42/1367017942.db2.gz GKGIZVPDPBYSQV-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082171 1367420215 /nfs/dbraw/zinc/42/02/15/1367420215.db2.gz VETANKBZUGWMKO-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082171 1367420218 /nfs/dbraw/zinc/42/02/18/1367420218.db2.gz VETANKBZUGWMKO-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082171 1367420222 /nfs/dbraw/zinc/42/02/22/1367420222.db2.gz VETANKBZUGWMKO-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161476 1367534744 /nfs/dbraw/zinc/53/47/44/1367534744.db2.gz GULQVZGEMGJLHY-FYQPLNBISA-N 2 1 347.547 3.185 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989387 1367658614 /nfs/dbraw/zinc/65/86/14/1367658614.db2.gz UVIQGQBYBLXDQM-GOSISDBHSA-N 2 1 349.519 3.458 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788819 1368462804 /nfs/dbraw/zinc/46/28/04/1368462804.db2.gz LGBNFPNRWHMFKU-NSHGMRRFSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195816777 1368496492 /nfs/dbraw/zinc/49/64/92/1368496492.db2.gz IMDGCWLKAZXSHT-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195816777 1368496495 /nfs/dbraw/zinc/49/64/95/1368496495.db2.gz IMDGCWLKAZXSHT-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195816777 1368496499 /nfs/dbraw/zinc/49/64/99/1368496499.db2.gz IMDGCWLKAZXSHT-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195816778 1368496602 /nfs/dbraw/zinc/49/66/02/1368496602.db2.gz IMDGCWLKAZXSHT-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195816778 1368496606 /nfs/dbraw/zinc/49/66/06/1368496606.db2.gz IMDGCWLKAZXSHT-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001195816778 1368496609 /nfs/dbraw/zinc/49/66/09/1368496609.db2.gz IMDGCWLKAZXSHT-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195865036 1368506069 /nfs/dbraw/zinc/50/60/69/1368506069.db2.gz GOCNZWSDXLPOMT-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865036 1368506074 /nfs/dbraw/zinc/50/60/74/1368506074.db2.gz GOCNZWSDXLPOMT-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195865036 1368506077 /nfs/dbraw/zinc/50/60/77/1368506077.db2.gz GOCNZWSDXLPOMT-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396759 1368805938 /nfs/dbraw/zinc/80/59/38/1368805938.db2.gz NCHFPUNMBQBCSM-VQTJNVASSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396759 1368805942 /nfs/dbraw/zinc/80/59/42/1368805942.db2.gz NCHFPUNMBQBCSM-VQTJNVASSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396759 1368805946 /nfs/dbraw/zinc/80/59/46/1368805946.db2.gz NCHFPUNMBQBCSM-VQTJNVASSA-N 2 1 347.547 3.284 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113403108 1369400938 /nfs/dbraw/zinc/40/09/38/1369400938.db2.gz SQHQSVAZLFHWBM-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113403108 1369400941 /nfs/dbraw/zinc/40/09/41/1369400941.db2.gz SQHQSVAZLFHWBM-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113520127 1369474998 /nfs/dbraw/zinc/47/49/98/1369474998.db2.gz NLLOJVGPRXHKHB-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001113682739 1369563802 /nfs/dbraw/zinc/56/38/02/1369563802.db2.gz QLAIFGYOXWLLPB-IBGZPJMESA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202764458 1369883146 /nfs/dbraw/zinc/88/31/46/1369883146.db2.gz MVQABGAAGXAZHQ-HKUYNNGSSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501430 1369977222 /nfs/dbraw/zinc/97/72/22/1369977222.db2.gz BGOQHVIOZJWVGY-GDAAHCPNSA-N 2 1 347.547 3.041 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114501430 1369977225 /nfs/dbraw/zinc/97/72/25/1369977225.db2.gz BGOQHVIOZJWVGY-GDAAHCPNSA-N 2 1 347.547 3.041 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114501430 1369977227 /nfs/dbraw/zinc/97/72/27/1369977227.db2.gz BGOQHVIOZJWVGY-GDAAHCPNSA-N 2 1 347.547 3.041 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203282544 1370060993 /nfs/dbraw/zinc/06/09/93/1370060993.db2.gz IYDYNVZYIMIMBI-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507765 1370148751 /nfs/dbraw/zinc/14/87/51/1370148751.db2.gz UYHGICZVRNTYOA-OALUTQOASA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cc1 ZINC001204301365 1370436090 /nfs/dbraw/zinc/43/60/90/1370436090.db2.gz XHLJLRNBBLRWKY-OYRHEFFESA-N 2 1 349.478 3.210 20 30 EGEDMP C=CCOc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204301365 1370436091 /nfs/dbraw/zinc/43/60/91/1370436091.db2.gz XHLJLRNBBLRWKY-OYRHEFFESA-N 2 1 349.478 3.210 20 30 EGEDMP C=CCOc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]3C2)cc1 ZINC001204301365 1370436092 /nfs/dbraw/zinc/43/60/92/1370436092.db2.gz XHLJLRNBBLRWKY-OYRHEFFESA-N 2 1 349.478 3.210 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536769 1370533458 /nfs/dbraw/zinc/53/34/58/1370533458.db2.gz GWWSXYNTOZLMJN-OALUTQOASA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692019 1370673156 /nfs/dbraw/zinc/67/31/56/1370673156.db2.gz DPRMAHDYWVRPDI-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC[C@H]1C[NH3+] ZINC001205618086 1370813068 /nfs/dbraw/zinc/81/30/68/1370813068.db2.gz RGWPVFMRKIXWQD-JXFKEZNVSA-N 2 1 334.467 3.427 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857039 1371191435 /nfs/dbraw/zinc/19/14/35/1371191435.db2.gz GPRRSEZQEWLPME-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCN(CC[N@H+](CCC)CCC[NH+](C)C)C(=O)OC(C)(C)C ZINC001207204511 1371328908 /nfs/dbraw/zinc/32/89/08/1371328908.db2.gz PTSIUEXJPNLYBK-UHFFFAOYSA-N 2 1 327.513 3.073 20 30 EGEDMP C=CCN(CC[N@@H+](CCC)CCC[NH+](C)C)C(=O)OC(C)(C)C ZINC001207204511 1371328913 /nfs/dbraw/zinc/32/89/13/1371328913.db2.gz PTSIUEXJPNLYBK-UHFFFAOYSA-N 2 1 327.513 3.073 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208330717 1371720587 /nfs/dbraw/zinc/72/05/87/1371720587.db2.gz CZLXIMOLSUHFOP-WOJBJXKFSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208335664 1371723300 /nfs/dbraw/zinc/72/33/00/1371723300.db2.gz XVSRJZSETYKSMK-MSOLQXFVSA-N 2 1 346.519 3.312 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208363102 1371735893 /nfs/dbraw/zinc/73/58/93/1371735893.db2.gz VOPHOWYSELHOPG-RTBURBONSA-N 2 1 337.552 3.412 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208850060 1371917273 /nfs/dbraw/zinc/91/72/73/1371917273.db2.gz VSLQSTLGXJALAS-UHFFFAOYSA-N 2 1 334.467 3.433 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325118 1371937126 /nfs/dbraw/zinc/93/71/26/1371937126.db2.gz AAXLQKXKCRFVFI-UEBDJUODSA-N 2 1 335.536 3.088 20 30 EGEDMP Cc1cc(-c2noc([C@@H]([NH3+])CCCC[NH2+]C(C)C)n2)ccc1C#N ZINC001212145622 1372663636 /nfs/dbraw/zinc/66/36/36/1372663636.db2.gz ZHSHJUAHLULYFL-INIZCTEOSA-N 2 1 327.432 3.085 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092365 1373816267 /nfs/dbraw/zinc/81/62/67/1373816267.db2.gz PUPUUOLWXOUODO-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092365 1373816273 /nfs/dbraw/zinc/81/62/73/1373816273.db2.gz PUPUUOLWXOUODO-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206364 1375209116 /nfs/dbraw/zinc/20/91/16/1375209116.db2.gz JFRMGXVMJACBEP-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206364 1375209120 /nfs/dbraw/zinc/20/91/20/1375209120.db2.gz JFRMGXVMJACBEP-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206364 1375209125 /nfs/dbraw/zinc/20/91/25/1375209125.db2.gz JFRMGXVMJACBEP-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132334630 1375313336 /nfs/dbraw/zinc/31/33/36/1375313336.db2.gz BCOAERXROSACQR-ROUUACIJSA-N 2 1 346.519 3.332 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132334630 1375313339 /nfs/dbraw/zinc/31/33/39/1375313339.db2.gz BCOAERXROSACQR-ROUUACIJSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365371 1375330439 /nfs/dbraw/zinc/33/04/39/1375330439.db2.gz JNVJFZRHUNFRDG-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365371 1375330446 /nfs/dbraw/zinc/33/04/46/1375330446.db2.gz JNVJFZRHUNFRDG-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365371 1375330454 /nfs/dbraw/zinc/33/04/54/1375330454.db2.gz JNVJFZRHUNFRDG-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132391738 1375346872 /nfs/dbraw/zinc/34/68/72/1375346872.db2.gz CPROSAWWZASKHX-PKOBYXMFSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132436750 1375380785 /nfs/dbraw/zinc/38/07/85/1375380785.db2.gz NQBYEFQCVSQDIE-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132436750 1375380787 /nfs/dbraw/zinc/38/07/87/1375380787.db2.gz NQBYEFQCVSQDIE-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132436750 1375380791 /nfs/dbraw/zinc/38/07/91/1375380791.db2.gz NQBYEFQCVSQDIE-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001132513250 1375433850 /nfs/dbraw/zinc/43/38/50/1375433850.db2.gz QNFBNDQQVZOZJB-HKUYNNGSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011133 1375710121 /nfs/dbraw/zinc/71/01/21/1375710121.db2.gz GDDBCMVKYKQNLO-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001229215288 1375789024 /nfs/dbraw/zinc/78/90/24/1375789024.db2.gz OUTMCEJYEPNHQQ-UHFFFAOYSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141611 1375802791 /nfs/dbraw/zinc/80/27/91/1375802791.db2.gz FWDPBYVBXSEGQP-ROUUACIJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463073 1375840164 /nfs/dbraw/zinc/84/01/64/1375840164.db2.gz XSLXWWGFHHZPBN-MJGOQNOKSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCOc1cccc(C[NH+]2CCN(CCC[NH+](CC)CC)CC2)c1 ZINC001231625116 1376285245 /nfs/dbraw/zinc/28/52/45/1376285245.db2.gz MYCAOFXOLPCICD-UHFFFAOYSA-N 2 1 345.531 3.101 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790422 1376722527 /nfs/dbraw/zinc/72/25/27/1376722527.db2.gz CGLMNKQVGDZXEN-CABCVRRESA-N 2 1 343.943 3.265 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541111 1379039768 /nfs/dbraw/zinc/03/97/68/1379039768.db2.gz IHMHNUDNSUXRED-LJQANCHMSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541111 1379039772 /nfs/dbraw/zinc/03/97/72/1379039772.db2.gz IHMHNUDNSUXRED-LJQANCHMSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541111 1379039776 /nfs/dbraw/zinc/03/97/76/1379039776.db2.gz IHMHNUDNSUXRED-LJQANCHMSA-N 2 1 349.563 3.364 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017512 1379106837 /nfs/dbraw/zinc/10/68/37/1379106837.db2.gz QVSIPWBIDSNIFC-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167963 1380220130 /nfs/dbraw/zinc/22/01/30/1380220130.db2.gz XBJGVHYCFWHUKE-GOSISDBHSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001157958477 1381082917 /nfs/dbraw/zinc/08/29/17/1381082917.db2.gz UVFMBWUKUKOADU-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001157958477 1381082924 /nfs/dbraw/zinc/08/29/24/1381082924.db2.gz UVFMBWUKUKOADU-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001157958477 1381082930 /nfs/dbraw/zinc/08/29/30/1381082930.db2.gz UVFMBWUKUKOADU-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158065047 1381118179 /nfs/dbraw/zinc/11/81/79/1381118179.db2.gz BPDZOZICYUYCDQ-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158065047 1381118182 /nfs/dbraw/zinc/11/81/82/1381118182.db2.gz BPDZOZICYUYCDQ-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158065047 1381118184 /nfs/dbraw/zinc/11/81/84/1381118184.db2.gz BPDZOZICYUYCDQ-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001158290104 1381186533 /nfs/dbraw/zinc/18/65/33/1381186533.db2.gz XHHYPYOHXFRTQS-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419503 1381240138 /nfs/dbraw/zinc/24/01/38/1381240138.db2.gz SJDUAIXFLHBQRL-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158490961 1381266595 /nfs/dbraw/zinc/26/65/95/1381266595.db2.gz AVCYWQVNSBXJSH-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751080 1381382377 /nfs/dbraw/zinc/38/23/77/1381382377.db2.gz SWLYUSJITHBHGV-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751080 1381382386 /nfs/dbraw/zinc/38/23/86/1381382386.db2.gz SWLYUSJITHBHGV-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751080 1381382394 /nfs/dbraw/zinc/38/23/94/1381382394.db2.gz SWLYUSJITHBHGV-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160778158 1382193468 /nfs/dbraw/zinc/19/34/68/1382193468.db2.gz HWEHKMVUFGJYRJ-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778158 1382193471 /nfs/dbraw/zinc/19/34/71/1382193471.db2.gz HWEHKMVUFGJYRJ-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160778158 1382193475 /nfs/dbraw/zinc/19/34/75/1382193475.db2.gz HWEHKMVUFGJYRJ-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444964 1382412920 /nfs/dbraw/zinc/41/29/20/1382412920.db2.gz NTTUSGONGMZWFC-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444964 1382412924 /nfs/dbraw/zinc/41/29/24/1382412924.db2.gz NTTUSGONGMZWFC-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444964 1382412926 /nfs/dbraw/zinc/41/29/26/1382412926.db2.gz NTTUSGONGMZWFC-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161937674 1382561441 /nfs/dbraw/zinc/56/14/41/1382561441.db2.gz DCNKQDUFXWUCNE-UHFFFAOYSA-N 2 1 341.499 3.076 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001163177500 1382984706 /nfs/dbraw/zinc/98/47/06/1382984706.db2.gz HFZRJGRIUCVSSG-WLRLJWMZSA-N 2 1 341.499 3.046 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1 ZINC001163333376 1383024252 /nfs/dbraw/zinc/02/42/52/1383024252.db2.gz RGJUFQBPQFJSAA-PWRODBHTSA-N 2 1 341.499 3.333 20 30 EGEDMP N#Cc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167974344 1383783550 /nfs/dbraw/zinc/78/35/50/1383783550.db2.gz XBNZAGLGHULUJG-IHWFROFDSA-N 2 1 339.483 3.322 20 30 EGEDMP C[C@H]1C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168105981 1383817912 /nfs/dbraw/zinc/81/79/12/1383817912.db2.gz XUOYZMUXOCDRGH-MVJPYGJCSA-N 2 1 327.472 3.198 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335783 1383875867 /nfs/dbraw/zinc/87/58/67/1383875867.db2.gz TUSGZJUHYJZQOR-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168345325 1383878898 /nfs/dbraw/zinc/87/88/98/1383878898.db2.gz PUAANFHKVNFBOE-UHFFFAOYSA-N 2 1 325.541 3.173 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCC[NH+](C3COC3)C2)cc1 ZINC001168374385 1383888359 /nfs/dbraw/zinc/88/83/59/1383888359.db2.gz LOZXGWIDFFIXIV-TZIWHRDSSA-N 2 1 341.499 3.285 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCC[NH+](C3COC3)C2)cc1 ZINC001168374385 1383888362 /nfs/dbraw/zinc/88/83/62/1383888362.db2.gz LOZXGWIDFFIXIV-TZIWHRDSSA-N 2 1 341.499 3.285 20 30 EGEDMP C=CC[NH+]1CCC[C@@H]1c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc1 ZINC001168374385 1383888365 /nfs/dbraw/zinc/88/83/65/1383888365.db2.gz LOZXGWIDFFIXIV-TZIWHRDSSA-N 2 1 341.499 3.285 20 30 EGEDMP C=CC[NH+]1CCC[C@@H]1c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc1 ZINC001168374385 1383888367 /nfs/dbraw/zinc/88/83/67/1383888367.db2.gz LOZXGWIDFFIXIV-TZIWHRDSSA-N 2 1 341.499 3.285 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171211498 1384469474 /nfs/dbraw/zinc/46/94/74/1384469474.db2.gz DVBYFTBJADCOCN-MRXNPFEDSA-N 2 1 334.467 3.432 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171245705 1384477198 /nfs/dbraw/zinc/47/71/98/1384477198.db2.gz BDUVYOKYTJYSBE-MOPGFXCFSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618452 1384581689 /nfs/dbraw/zinc/58/16/89/1384581689.db2.gz JAQHWGYNMZYRQB-QGZVFWFLSA-N 2 1 337.552 3.480 20 30 EGEDMP C[C@@H]1C[C@@H](NC(=[NH2+])c2ccc(Cl)cn2)C[N@H+]1Cc1ccccc1 ZINC001171727463 1384615340 /nfs/dbraw/zinc/61/53/40/1384615340.db2.gz CQQCTNOGMSFGMS-CZUORRHYSA-N 2 1 328.847 3.103 20 30 EGEDMP C[C@@H]1C[C@H](NC(=[NH2+])c2ccc(Cl)cn2)C[N@H+]1Cc1ccccc1 ZINC001171727460 1384615867 /nfs/dbraw/zinc/61/58/67/1384615867.db2.gz CQQCTNOGMSFGMS-CJNGLKHVSA-N 2 1 328.847 3.103 20 30 EGEDMP CCOCC[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422867 1384789154 /nfs/dbraw/zinc/78/91/54/1384789154.db2.gz YKUZAEXWGMFCMH-NSISKUIASA-N 2 1 329.488 3.445 20 30 EGEDMP C=CCOC1CCC([NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)CC1 ZINC001173323055 1384958354 /nfs/dbraw/zinc/95/83/54/1384958354.db2.gz BRFOJYCACPCJIQ-UHFFFAOYSA-N 2 1 336.520 3.075 20 30 EGEDMP CC(C)N1CCOC[C@@]2(CCC[N@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595573 1384983793 /nfs/dbraw/zinc/98/37/93/1384983793.db2.gz RQSVQHFOMSICRL-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595573 1384983800 /nfs/dbraw/zinc/98/38/00/1384983800.db2.gz RQSVQHFOMSICRL-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595573 1384983805 /nfs/dbraw/zinc/98/38/05/1384983805.db2.gz RQSVQHFOMSICRL-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595573 1384983809 /nfs/dbraw/zinc/98/38/09/1384983809.db2.gz RQSVQHFOMSICRL-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173595573 1384983820 /nfs/dbraw/zinc/98/38/20/1384983820.db2.gz RQSVQHFOMSICRL-MHJFOBGBSA-N 2 1 333.520 3.282 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174880819 1385164025 /nfs/dbraw/zinc/16/40/25/1385164025.db2.gz HRPJJHIDKXXWDF-DLBZAZTESA-N 2 1 343.943 3.126 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175256785 1385231234 /nfs/dbraw/zinc/23/12/34/1385231234.db2.gz OSDNVXGOWMJAJO-RBUKOAKNSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176759264 1385685594 /nfs/dbraw/zinc/68/55/94/1385685594.db2.gz HPKIKCBIRGLHRN-IEBWSBKVSA-N 2 1 331.504 3.130 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001177356749 1385927686 /nfs/dbraw/zinc/92/76/86/1385927686.db2.gz HYVVLNSNJJVKLB-FQEVSTJZSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707290 1386285012 /nfs/dbraw/zinc/28/50/12/1386285012.db2.gz DNIAEDFTWWDWBL-BJLQDIEVSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178729372 1386292095 /nfs/dbraw/zinc/29/20/95/1386292095.db2.gz VSZWLVABNUUOGZ-RBUKOAKNSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811391 1386314529 /nfs/dbraw/zinc/31/45/29/1386314529.db2.gz UIHJQLJKQKLQAO-MOPGFXCFSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCCCCC ZINC001179838764 1386602774 /nfs/dbraw/zinc/60/27/74/1386602774.db2.gz ORNAQVLOEVUBDC-UHFFFAOYSA-N 2 1 325.541 3.341 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001752542619 1440194722 /nfs/dbraw/zinc/19/47/22/1440194722.db2.gz NYXPDFDRGIUFLA-LWYYNNOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001752542619 1440194723 /nfs/dbraw/zinc/19/47/23/1440194723.db2.gz NYXPDFDRGIUFLA-LWYYNNOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001752542619 1440194724 /nfs/dbraw/zinc/19/47/24/1440194724.db2.gz NYXPDFDRGIUFLA-LWYYNNOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752815995 1440217903 /nfs/dbraw/zinc/21/79/03/1440217903.db2.gz VQRJPJQLXLSUGA-ICSRJNTNSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001752841718 1440230958 /nfs/dbraw/zinc/23/09/58/1440230958.db2.gz SPFNUHMBJQVEHX-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001752998179 1440263128 /nfs/dbraw/zinc/26/31/28/1440263128.db2.gz ADOPMJWMLVZUFV-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001753112941 1440309690 /nfs/dbraw/zinc/30/96/90/1440309690.db2.gz FCBHTXOATXFYMA-XLIONFOSSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753332154 1440370131 /nfs/dbraw/zinc/37/01/31/1440370131.db2.gz JBXUWUINDCDDKT-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753332154 1440370132 /nfs/dbraw/zinc/37/01/32/1440370132.db2.gz JBXUWUINDCDDKT-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753332154 1440370133 /nfs/dbraw/zinc/37/01/33/1440370133.db2.gz JBXUWUINDCDDKT-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001753365317 1440384858 /nfs/dbraw/zinc/38/48/58/1440384858.db2.gz BWUUGHIOROWYLJ-UHFFFAOYSA-N 2 1 337.552 3.101 20 30 EGEDMP C=CCCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001753365317 1440384859 /nfs/dbraw/zinc/38/48/59/1440384859.db2.gz BWUUGHIOROWYLJ-UHFFFAOYSA-N 2 1 337.552 3.101 20 30 EGEDMP C=CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001753365317 1440384860 /nfs/dbraw/zinc/38/48/60/1440384860.db2.gz BWUUGHIOROWYLJ-UHFFFAOYSA-N 2 1 337.552 3.101 20 30 EGEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001753573218 1440438799 /nfs/dbraw/zinc/43/87/99/1440438799.db2.gz NSXQSYYYRLJHLP-HXUWFJFHSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001754559577 1440633335 /nfs/dbraw/zinc/63/33/35/1440633335.db2.gz POVSZRNVPGVZHS-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001754868230 1440703936 /nfs/dbraw/zinc/70/39/36/1440703936.db2.gz NWBZWUDXHBVEMR-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001755205044 1440781930 /nfs/dbraw/zinc/78/19/30/1440781930.db2.gz PKBRYEPXYNGBHM-UXHICEINSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001755211720 1440783285 /nfs/dbraw/zinc/78/32/85/1440783285.db2.gz UVIBHVQQNCQCSY-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001755211720 1440783286 /nfs/dbraw/zinc/78/32/86/1440783286.db2.gz UVIBHVQQNCQCSY-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001755211720 1440783287 /nfs/dbraw/zinc/78/32/87/1440783287.db2.gz UVIBHVQQNCQCSY-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001755378749 1440838846 /nfs/dbraw/zinc/83/88/46/1440838846.db2.gz PGKQVFCMMUFRNO-MRXNPFEDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001755411320 1440846477 /nfs/dbraw/zinc/84/64/77/1440846477.db2.gz BTSIFKYAVPJJOY-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000246793892 141034799 /nfs/dbraw/zinc/03/47/99/141034799.db2.gz MLRRCRHILBKALL-LPHOPBHVSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000246793892 141034800 /nfs/dbraw/zinc/03/48/00/141034800.db2.gz MLRRCRHILBKALL-LPHOPBHVSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000246793892 141034802 /nfs/dbraw/zinc/03/48/02/141034802.db2.gz MLRRCRHILBKALL-LPHOPBHVSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000246793892 141034803 /nfs/dbraw/zinc/03/48/03/141034803.db2.gz MLRRCRHILBKALL-LPHOPBHVSA-N 2 1 325.456 3.016 20 30 EGEDMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000515108335 266990036 /nfs/dbraw/zinc/99/00/36/266990036.db2.gz XIDVOKHAXYCRMJ-TZIWHRDSSA-N 2 1 341.499 3.008 20 30 EGEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433105 267059238 /nfs/dbraw/zinc/05/92/38/267059238.db2.gz AFLMYGUHDJLDJH-KRWDZBQOSA-N 2 1 335.879 3.144 20 30 EGEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433105 267059240 /nfs/dbraw/zinc/05/92/40/267059240.db2.gz AFLMYGUHDJLDJH-KRWDZBQOSA-N 2 1 335.879 3.144 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000269391992 268074383 /nfs/dbraw/zinc/07/43/83/268074383.db2.gz DBQWSAZLDMXWLM-LJQANCHMSA-N 2 1 337.442 3.352 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000269391992 268074384 /nfs/dbraw/zinc/07/43/84/268074384.db2.gz DBQWSAZLDMXWLM-LJQANCHMSA-N 2 1 337.442 3.352 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(C#N)cs3)c2)CCO1 ZINC000177690292 323344328 /nfs/dbraw/zinc/34/43/28/323344328.db2.gz MLNNDRAZRBJWMH-OAHLLOKOSA-N 2 1 341.480 3.130 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(C#N)cs3)c2)CCO1 ZINC000177690292 323344331 /nfs/dbraw/zinc/34/43/31/323344331.db2.gz MLNNDRAZRBJWMH-OAHLLOKOSA-N 2 1 341.480 3.130 20 30 EGEDMP C=CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000105443784 454638905 /nfs/dbraw/zinc/63/89/05/454638905.db2.gz KBOGRONPGXYYCR-OAHLLOKOSA-N 2 1 329.444 3.191 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000106246415 454688311 /nfs/dbraw/zinc/68/83/11/454688311.db2.gz USROEELGWDTLJN-UHFFFAOYSA-N 2 1 340.414 3.427 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563814 454720827 /nfs/dbraw/zinc/72/08/27/454720827.db2.gz GMLXDYUQHRWEIP-MJGOQNOKSA-N 2 1 327.472 3.428 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563814 454720832 /nfs/dbraw/zinc/72/08/32/454720832.db2.gz GMLXDYUQHRWEIP-MJGOQNOKSA-N 2 1 327.472 3.428 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000176962463 454804103 /nfs/dbraw/zinc/80/41/03/454804103.db2.gz MUGUGRUJZHWKMN-KRWDZBQOSA-N 2 1 325.481 3.274 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000176962463 454804105 /nfs/dbraw/zinc/80/41/05/454804105.db2.gz MUGUGRUJZHWKMN-KRWDZBQOSA-N 2 1 325.481 3.274 20 30 EGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000182249572 455471814 /nfs/dbraw/zinc/47/18/14/455471814.db2.gz CWTDPCGKCOMKRH-HTAPYJJXSA-N 2 1 349.478 3.366 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000118868623 455114994 /nfs/dbraw/zinc/11/49/94/455114994.db2.gz JOYMVRRSMYZKAT-UHFFFAOYSA-N 2 1 331.504 3.137 20 30 EGEDMP N#Cc1ccc(OCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157203996 455172884 /nfs/dbraw/zinc/17/28/84/455172884.db2.gz IIHUDBPANSZMDM-IBGZPJMESA-N 2 1 327.472 3.277 20 30 EGEDMP C=CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000191458654 455486538 /nfs/dbraw/zinc/48/65/38/455486538.db2.gz HECUMXYBMDFOCI-UHFFFAOYSA-N 2 1 333.495 3.230 20 30 EGEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285514303 455861297 /nfs/dbraw/zinc/86/12/97/455861297.db2.gz OLAVBFCTTZJQAN-KRWDZBQOSA-N 2 1 345.462 3.415 20 30 EGEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285514303 455861301 /nfs/dbraw/zinc/86/13/01/455861301.db2.gz OLAVBFCTTZJQAN-KRWDZBQOSA-N 2 1 345.462 3.415 20 30 EGEDMP C=CCC(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000342307160 457227830 /nfs/dbraw/zinc/22/78/30/457227830.db2.gz DUKMDYBISNPDDA-UHFFFAOYSA-N 2 1 349.563 3.243 20 30 EGEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000360838370 457376473 /nfs/dbraw/zinc/37/64/73/457376473.db2.gz CCZJYFPXPNMPJG-FPOVZHCZSA-N 2 1 341.499 3.152 20 30 EGEDMP C=CCC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000533498497 459243001 /nfs/dbraw/zinc/24/30/01/459243001.db2.gz NRXIGWPFCMHXNB-ROUUACIJSA-N 2 1 333.545 3.371 20 30 EGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCSCC#N)C2)s1 ZINC000565050347 459780642 /nfs/dbraw/zinc/78/06/42/459780642.db2.gz AEVJCEYGDRAWMN-MRXNPFEDSA-N 2 1 337.558 3.457 20 30 EGEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCSCC#N)C2)s1 ZINC000565050347 459780649 /nfs/dbraw/zinc/78/06/49/459780649.db2.gz AEVJCEYGDRAWMN-MRXNPFEDSA-N 2 1 337.558 3.457 20 30 EGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCSCC#N)C2)s1 ZINC000565050347 459780652 /nfs/dbraw/zinc/78/06/52/459780652.db2.gz AEVJCEYGDRAWMN-MRXNPFEDSA-N 2 1 337.558 3.457 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000574684582 459854309 /nfs/dbraw/zinc/85/43/09/459854309.db2.gz OOARXIICWWJYFP-JOCHJYFZSA-N 2 1 338.495 3.373 20 30 EGEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000598614051 459963523 /nfs/dbraw/zinc/96/35/23/459963523.db2.gz AKOIPETYERTZCC-OALUTQOASA-N 2 1 343.515 3.177 20 30 EGEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000598614051 459963530 /nfs/dbraw/zinc/96/35/30/459963530.db2.gz AKOIPETYERTZCC-OALUTQOASA-N 2 1 343.515 3.177 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602515145 459977945 /nfs/dbraw/zinc/97/79/45/459977945.db2.gz UYIFFMJDPANZMI-OTWHNJEPSA-N 2 1 335.536 3.433 20 30 EGEDMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc(C#N)n3)c2)CC1 ZINC000602544018 459991174 /nfs/dbraw/zinc/99/11/74/459991174.db2.gz HCSASYOLEMSLJH-UHFFFAOYSA-N 2 1 334.467 3.475 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543937 461758944 /nfs/dbraw/zinc/75/89/44/461758944.db2.gz UQWBHVLKYKXYDC-MOPGFXCFSA-N 2 1 344.499 3.472 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000152935963 526603671 /nfs/dbraw/zinc/60/36/71/526603671.db2.gz VOPVRPQXCJTRDM-OAHLLOKOSA-N 2 1 333.451 3.173 20 30 EGEDMP CC[N@@H+](Cc1cc(C#N)n(C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191425146 528764930 /nfs/dbraw/zinc/76/49/30/528764930.db2.gz JRDFEBROUVIOED-LJQANCHMSA-N 2 1 336.483 3.241 20 30 EGEDMP CC[N@H+](Cc1cc(C#N)n(C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191425146 528764935 /nfs/dbraw/zinc/76/49/35/528764935.db2.gz JRDFEBROUVIOED-LJQANCHMSA-N 2 1 336.483 3.241 20 30 EGEDMP CC[NH+](Cc1cc(C#N)n(C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191425146 528764938 /nfs/dbraw/zinc/76/49/38/528764938.db2.gz JRDFEBROUVIOED-LJQANCHMSA-N 2 1 336.483 3.241 20 30 EGEDMP CC[NH+](Cc1cc(C#N)n(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191425146 528764942 /nfs/dbraw/zinc/76/49/42/528764942.db2.gz JRDFEBROUVIOED-LJQANCHMSA-N 2 1 336.483 3.241 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000280237320 547371850 /nfs/dbraw/zinc/37/18/50/547371850.db2.gz VTAFDKGGNWCROA-SFHVURJKSA-N 2 1 330.472 3.321 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000057960252 1291872078 /nfs/dbraw/zinc/87/20/78/1291872078.db2.gz ZJKVERQEIBXZQC-UHFFFAOYSA-N 2 1 330.472 3.367 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000063319871 1292007343 /nfs/dbraw/zinc/00/73/43/1292007343.db2.gz DSZKEBDKLIKHHU-UHFFFAOYSA-N 2 1 326.484 3.443 20 30 EGEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683673 1292926914 /nfs/dbraw/zinc/92/69/14/1292926914.db2.gz OZQALLLXBXBJHU-FQEVSTJZSA-N 2 1 326.484 3.397 20 30 EGEDMP C#CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683673 1292926925 /nfs/dbraw/zinc/92/69/25/1292926925.db2.gz OZQALLLXBXBJHU-FQEVSTJZSA-N 2 1 326.484 3.397 20 30 EGEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000104168261 1293018117 /nfs/dbraw/zinc/01/81/17/1293018117.db2.gz QMCZIRMPGJSGSR-GFCCVEGCSA-N 2 1 344.381 3.044 20 30 EGEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000155623575 1294106772 /nfs/dbraw/zinc/10/67/72/1294106772.db2.gz LDJYWPSDXZRENK-HXUWFJFHSA-N 2 1 329.488 3.036 20 30 EGEDMP C=CCc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c(O)c(OC)c1 ZINC000164538987 1294350438 /nfs/dbraw/zinc/35/04/38/1294350438.db2.gz WTPDMDKPSCPTSL-UHFFFAOYSA-N 2 1 329.444 3.156 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(O)c(OC)c1 ZINC000164538987 1294350442 /nfs/dbraw/zinc/35/04/42/1294350442.db2.gz WTPDMDKPSCPTSL-UHFFFAOYSA-N 2 1 329.444 3.156 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000246425244 1296352783 /nfs/dbraw/zinc/35/27/83/1296352783.db2.gz NLWPISZNHDVSAF-KBAYOESNSA-N 2 1 345.487 3.196 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000246425244 1296352795 /nfs/dbraw/zinc/35/27/95/1296352795.db2.gz NLWPISZNHDVSAF-KBAYOESNSA-N 2 1 345.487 3.196 20 30 EGEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCCC2)[C@@H]1c1cccs1 ZINC000262482141 1296634457 /nfs/dbraw/zinc/63/44/57/1296634457.db2.gz IDJOGKWSZHQBIU-DOTOQJQBSA-N 2 1 334.533 3.322 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])NCC2CCC2)cc1 ZINC000303771062 1296849256 /nfs/dbraw/zinc/84/92/56/1296849256.db2.gz CHWVGNZLUVJALT-MRXNPFEDSA-N 2 1 328.504 3.265 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000303901456 1296876896 /nfs/dbraw/zinc/87/68/96/1296876896.db2.gz SRSHMIKPSKRPKR-LJQANCHMSA-N 2 1 342.531 3.315 20 30 EGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471268 1303120057 /nfs/dbraw/zinc/12/00/57/1303120057.db2.gz RQBBJLGVBINOTD-PXNSSMCTSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471268 1303120062 /nfs/dbraw/zinc/12/00/62/1303120062.db2.gz RQBBJLGVBINOTD-PXNSSMCTSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471268 1303120066 /nfs/dbraw/zinc/12/00/66/1303120066.db2.gz RQBBJLGVBINOTD-PXNSSMCTSA-N 2 1 328.504 3.341 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769517117 1303133662 /nfs/dbraw/zinc/13/36/62/1303133662.db2.gz YUTHKQBPCZWHAY-FQEVSTJZSA-N 2 1 340.515 3.200 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769517117 1303133666 /nfs/dbraw/zinc/13/36/66/1303133666.db2.gz YUTHKQBPCZWHAY-FQEVSTJZSA-N 2 1 340.515 3.200 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000769517117 1303133669 /nfs/dbraw/zinc/13/36/69/1303133669.db2.gz YUTHKQBPCZWHAY-FQEVSTJZSA-N 2 1 340.515 3.200 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769516990 1303133741 /nfs/dbraw/zinc/13/37/41/1303133741.db2.gz XUTGYLTZMQXZEN-QFBILLFUSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769516990 1303133744 /nfs/dbraw/zinc/13/37/44/1303133744.db2.gz XUTGYLTZMQXZEN-QFBILLFUSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769516990 1303133746 /nfs/dbraw/zinc/13/37/46/1303133746.db2.gz XUTGYLTZMQXZEN-QFBILLFUSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000769516990 1303133749 /nfs/dbraw/zinc/13/37/49/1303133749.db2.gz XUTGYLTZMQXZEN-QFBILLFUSA-N 2 1 327.472 3.141 20 30 EGEDMP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000778165720 1304407884 /nfs/dbraw/zinc/40/78/84/1304407884.db2.gz QFHSQSZGZYMMJG-CQSZACIVSA-N 2 1 331.847 3.283 20 30 EGEDMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000902803259 1317619007 /nfs/dbraw/zinc/61/90/07/1317619007.db2.gz UORFDUXJVJZONS-UXHICEINSA-N 2 1 327.472 3.242 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])ccc1OC ZINC000817917377 1319459606 /nfs/dbraw/zinc/45/96/06/1319459606.db2.gz FJKMUGQWGMUIRP-BRWVUGGUSA-N 2 1 331.460 3.126 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696334 1319821216 /nfs/dbraw/zinc/82/12/16/1319821216.db2.gz KTXAOQNHWYJVQJ-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696334 1319821225 /nfs/dbraw/zinc/82/12/25/1319821225.db2.gz KTXAOQNHWYJVQJ-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696334 1319821234 /nfs/dbraw/zinc/82/12/34/1319821234.db2.gz KTXAOQNHWYJVQJ-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440683 1323401668 /nfs/dbraw/zinc/40/16/68/1323401668.db2.gz RHWXKRHJNVPNIB-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440683 1323401671 /nfs/dbraw/zinc/40/16/71/1323401671.db2.gz RHWXKRHJNVPNIB-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440683 1323401676 /nfs/dbraw/zinc/40/16/76/1323401676.db2.gz RHWXKRHJNVPNIB-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279568 1324102328 /nfs/dbraw/zinc/10/23/28/1324102328.db2.gz DRFIRFLWGIKCNS-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560032 1324407590 /nfs/dbraw/zinc/40/75/90/1324407590.db2.gz ZBQIIZRVLPVODI-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630676 1324483416 /nfs/dbraw/zinc/48/34/16/1324483416.db2.gz UUVBCWSSNMQKBE-ZWKOTPCHSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345033 1325136360 /nfs/dbraw/zinc/13/63/60/1325136360.db2.gz CWMBKOLPVZRSQT-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000925812129 1325312655 /nfs/dbraw/zinc/31/26/55/1325312655.db2.gz HJVGKCOIAXDUPA-UYAOXDASSA-N 2 1 337.398 3.043 20 30 EGEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542341 1327845157 /nfs/dbraw/zinc/84/51/57/1327845157.db2.gz KISBTZYHTWNOIP-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542341 1327845163 /nfs/dbraw/zinc/84/51/63/1327845163.db2.gz KISBTZYHTWNOIP-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542341 1327845171 /nfs/dbraw/zinc/84/51/71/1327845171.db2.gz KISBTZYHTWNOIP-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001027647334 1328026227 /nfs/dbraw/zinc/02/62/27/1328026227.db2.gz NWSCVOBKDLOWBY-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001027647334 1328026237 /nfs/dbraw/zinc/02/62/37/1328026237.db2.gz NWSCVOBKDLOWBY-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001027647334 1328026246 /nfs/dbraw/zinc/02/62/46/1328026246.db2.gz NWSCVOBKDLOWBY-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945031333 1332482000 /nfs/dbraw/zinc/48/20/00/1332482000.db2.gz ZVKAMCITCVZWSK-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372276 1333498861 /nfs/dbraw/zinc/49/88/61/1333498861.db2.gz BALKWSQJIGIQSU-SFHVURJKSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439574 1333526112 /nfs/dbraw/zinc/52/61/12/1333526112.db2.gz SBCGJAQMTRKRFM-ZWKOTPCHSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439574 1333526113 /nfs/dbraw/zinc/52/61/13/1333526113.db2.gz SBCGJAQMTRKRFM-ZWKOTPCHSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574353 1333582685 /nfs/dbraw/zinc/58/26/85/1333582685.db2.gz FPNVKKMAKNVLML-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574353 1333582690 /nfs/dbraw/zinc/58/26/90/1333582690.db2.gz FPNVKKMAKNVLML-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574353 1333582691 /nfs/dbraw/zinc/58/26/91/1333582691.db2.gz FPNVKKMAKNVLML-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829061 1333700734 /nfs/dbraw/zinc/70/07/34/1333700734.db2.gz CKZORKKYHCUYRP-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969002617 1336115720 /nfs/dbraw/zinc/11/57/20/1336115720.db2.gz YQNPITSHMAOLAJ-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002617 1336115721 /nfs/dbraw/zinc/11/57/21/1336115721.db2.gz YQNPITSHMAOLAJ-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002617 1336115722 /nfs/dbraw/zinc/11/57/22/1336115722.db2.gz YQNPITSHMAOLAJ-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005502212 1336362719 /nfs/dbraw/zinc/36/27/19/1336362719.db2.gz AAYBZYFFBASFMX-HXUWFJFHSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039242074 1344967843 /nfs/dbraw/zinc/96/78/43/1344967843.db2.gz NIDSAAMYNBKNAK-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039386908 1345039168 /nfs/dbraw/zinc/03/91/68/1345039168.db2.gz KVFOVLHXQPBVKQ-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039386908 1345039173 /nfs/dbraw/zinc/03/91/73/1345039173.db2.gz KVFOVLHXQPBVKQ-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039386908 1345039175 /nfs/dbraw/zinc/03/91/75/1345039175.db2.gz KVFOVLHXQPBVKQ-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473719 1345088615 /nfs/dbraw/zinc/08/86/15/1345088615.db2.gz ZHMVUVOTWJAFRN-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938170 1346774146 /nfs/dbraw/zinc/77/41/46/1346774146.db2.gz TYYBOIRUXSYDQF-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938170 1346774150 /nfs/dbraw/zinc/77/41/50/1346774150.db2.gz TYYBOIRUXSYDQF-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938170 1346774152 /nfs/dbraw/zinc/77/41/52/1346774152.db2.gz TYYBOIRUXSYDQF-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974120 1346809924 /nfs/dbraw/zinc/80/99/24/1346809924.db2.gz YOYQCBCXQMLHMP-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572437 1347599226 /nfs/dbraw/zinc/59/92/26/1347599226.db2.gz HXRWIWPICMCVPC-YRPNKDGESA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572437 1347599228 /nfs/dbraw/zinc/59/92/28/1347599228.db2.gz HXRWIWPICMCVPC-YRPNKDGESA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049662333 1347961885 /nfs/dbraw/zinc/96/18/85/1347961885.db2.gz GRJMWFUZKMVIOR-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049662333 1347961888 /nfs/dbraw/zinc/96/18/88/1347961888.db2.gz GRJMWFUZKMVIOR-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049662333 1347961890 /nfs/dbraw/zinc/96/18/90/1347961890.db2.gz GRJMWFUZKMVIOR-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050544624 1348287240 /nfs/dbraw/zinc/28/72/40/1348287240.db2.gz RDSGHMXPDZCAED-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050727713 1348339765 /nfs/dbraw/zinc/33/97/65/1348339765.db2.gz KEYRRXVUHZLCDO-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381176 1348536935 /nfs/dbraw/zinc/53/69/35/1348536935.db2.gz LVJGBTJUKQFATB-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381176 1348536937 /nfs/dbraw/zinc/53/69/37/1348536937.db2.gz LVJGBTJUKQFATB-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381176 1348536939 /nfs/dbraw/zinc/53/69/39/1348536939.db2.gz LVJGBTJUKQFATB-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052650992 1348613625 /nfs/dbraw/zinc/61/36/25/1348613625.db2.gz CCVOTHYQXZTSQO-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052650992 1348613627 /nfs/dbraw/zinc/61/36/27/1348613627.db2.gz CCVOTHYQXZTSQO-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052650992 1348613629 /nfs/dbraw/zinc/61/36/29/1348613629.db2.gz CCVOTHYQXZTSQO-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967392 1348778500 /nfs/dbraw/zinc/77/85/00/1348778500.db2.gz HEAXNJJLJCKQJB-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)cc2C1 ZINC001054292872 1349299336 /nfs/dbraw/zinc/29/93/36/1349299336.db2.gz XSGXZAWTNCBLKN-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292872 1349299338 /nfs/dbraw/zinc/29/93/38/1349299338.db2.gz XSGXZAWTNCBLKN-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292872 1349299340 /nfs/dbraw/zinc/29/93/40/1349299340.db2.gz XSGXZAWTNCBLKN-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165290 1387270643 /nfs/dbraw/zinc/27/06/43/1387270643.db2.gz VPGCEVQYYVQQQD-SVFBPWRDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165289 1387270783 /nfs/dbraw/zinc/27/07/83/1387270783.db2.gz VPGCEVQYYVQQQD-SFHLNBCPSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240637 1387283772 /nfs/dbraw/zinc/28/37/72/1387283772.db2.gz NSUAEKDYEHJNMF-RBUKOAKNSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099106819 1363626297 /nfs/dbraw/zinc/62/62/97/1363626297.db2.gz PKEMOUGYZVFPMI-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958101 1358355121 /nfs/dbraw/zinc/35/51/21/1358355121.db2.gz LBXPEGUSWGSLJY-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958101 1358355123 /nfs/dbraw/zinc/35/51/23/1358355123.db2.gz LBXPEGUSWGSLJY-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958101 1358355125 /nfs/dbraw/zinc/35/51/25/1358355125.db2.gz LBXPEGUSWGSLJY-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089386459 1360387538 /nfs/dbraw/zinc/38/75/38/1360387538.db2.gz PPSJUGNBGAHCSH-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089406153 1360404361 /nfs/dbraw/zinc/40/43/61/1360404361.db2.gz HUFZIRBBPHRSKM-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406153 1360404364 /nfs/dbraw/zinc/40/43/64/1360404364.db2.gz HUFZIRBBPHRSKM-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406153 1360404365 /nfs/dbraw/zinc/40/43/65/1360404365.db2.gz HUFZIRBBPHRSKM-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509360 1360480752 /nfs/dbraw/zinc/48/07/52/1360480752.db2.gz BFOYOXPEGAZAJC-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC(C)(C)C1 ZINC001089536690 1360495962 /nfs/dbraw/zinc/49/59/62/1360495962.db2.gz FJGXVENMXIMNGP-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089536690 1360495963 /nfs/dbraw/zinc/49/59/63/1360495963.db2.gz FJGXVENMXIMNGP-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089536690 1360495965 /nfs/dbraw/zinc/49/59/65/1360495965.db2.gz FJGXVENMXIMNGP-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565227 1360512368 /nfs/dbraw/zinc/51/23/68/1360512368.db2.gz QAZDEYMZPSMYGD-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565227 1360512369 /nfs/dbraw/zinc/51/23/69/1360512369.db2.gz QAZDEYMZPSMYGD-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565227 1360512370 /nfs/dbraw/zinc/51/23/70/1360512370.db2.gz QAZDEYMZPSMYGD-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649500 1360563125 /nfs/dbraw/zinc/56/31/25/1360563125.db2.gz KLCGBSIFZWVUGJ-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649500 1360563127 /nfs/dbraw/zinc/56/31/27/1360563127.db2.gz KLCGBSIFZWVUGJ-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649500 1360563130 /nfs/dbraw/zinc/56/31/30/1360563130.db2.gz KLCGBSIFZWVUGJ-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089657938 1360570013 /nfs/dbraw/zinc/57/00/13/1360570013.db2.gz GFHNIHIEKOQMHW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089657938 1360570018 /nfs/dbraw/zinc/57/00/18/1360570018.db2.gz GFHNIHIEKOQMHW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657938 1360570021 /nfs/dbraw/zinc/57/00/21/1360570021.db2.gz GFHNIHIEKOQMHW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657938 1360570023 /nfs/dbraw/zinc/57/00/23/1360570023.db2.gz GFHNIHIEKOQMHW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089733907 1360638083 /nfs/dbraw/zinc/63/80/83/1360638083.db2.gz CTFIWCNQQUXOPJ-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089733907 1360638084 /nfs/dbraw/zinc/63/80/84/1360638084.db2.gz CTFIWCNQQUXOPJ-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089733907 1360638089 /nfs/dbraw/zinc/63/80/89/1360638089.db2.gz CTFIWCNQQUXOPJ-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110285 1363627854 /nfs/dbraw/zinc/62/78/54/1363627854.db2.gz ADPAHCJITVGBSN-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110285 1363627857 /nfs/dbraw/zinc/62/78/57/1363627857.db2.gz ADPAHCJITVGBSN-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110285 1363627859 /nfs/dbraw/zinc/62/78/59/1363627859.db2.gz ADPAHCJITVGBSN-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099153975 1363660200 /nfs/dbraw/zinc/66/02/00/1363660200.db2.gz RJRHMYCCMNCDJM-RBUKOAKNSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001101591032 1364641798 /nfs/dbraw/zinc/64/17/98/1364641798.db2.gz BTWUABDWOLKJDD-UHFFFAOYSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101594580 1364645752 /nfs/dbraw/zinc/64/57/52/1364645752.db2.gz GCQJEVLOOTUUQN-ROUUACIJSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102089230 1364848575 /nfs/dbraw/zinc/84/85/75/1364848575.db2.gz IRDYPZAIZZELFD-QRVBRYPASA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102089230 1364848579 /nfs/dbraw/zinc/84/85/79/1364848579.db2.gz IRDYPZAIZZELFD-QRVBRYPASA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102089230 1364848582 /nfs/dbraw/zinc/84/85/82/1364848582.db2.gz IRDYPZAIZZELFD-QRVBRYPASA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375309 1365029427 /nfs/dbraw/zinc/02/94/27/1365029427.db2.gz BRQHVQRVGBYMNV-KZNAEPCWSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375309 1365029431 /nfs/dbraw/zinc/02/94/31/1365029431.db2.gz BRQHVQRVGBYMNV-KZNAEPCWSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375309 1365029435 /nfs/dbraw/zinc/02/94/35/1365029435.db2.gz BRQHVQRVGBYMNV-KZNAEPCWSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104286859 1365976586 /nfs/dbraw/zinc/97/65/86/1365976586.db2.gz KEHWXLLJUSYOCX-AQNXPRMDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001104369680 1365990523 /nfs/dbraw/zinc/99/05/23/1365990523.db2.gz DUAXUBXIFPHWCU-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104683932 1366130493 /nfs/dbraw/zinc/13/04/93/1366130493.db2.gz VNFYSFRSNKGXCW-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587245 1367058781 /nfs/dbraw/zinc/05/87/81/1367058781.db2.gz LRXIHIVSYLWCGB-TZIWHRDSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174234 1367190131 /nfs/dbraw/zinc/19/01/31/1367190131.db2.gz DOBIIUNOZUTJDT-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174234 1367190133 /nfs/dbraw/zinc/19/01/33/1367190133.db2.gz DOBIIUNOZUTJDT-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174234 1367190139 /nfs/dbraw/zinc/19/01/39/1367190139.db2.gz DOBIIUNOZUTJDT-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190493251 1367276381 /nfs/dbraw/zinc/27/63/81/1367276381.db2.gz WVFNSEUFGOQQKG-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190493251 1367276386 /nfs/dbraw/zinc/27/63/86/1367276386.db2.gz WVFNSEUFGOQQKG-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190493251 1367276387 /nfs/dbraw/zinc/27/63/87/1367276387.db2.gz WVFNSEUFGOQQKG-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688394 1367282995 /nfs/dbraw/zinc/28/29/95/1367282995.db2.gz MSOSSBBRGCIJQP-YDZRNGNQSA-N 2 1 337.552 3.265 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110154001 1367527575 /nfs/dbraw/zinc/52/75/75/1367527575.db2.gz XEXCXHLEGXMGGW-HOJAQTOUSA-N 2 1 341.499 3.050 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110161475 1367534923 /nfs/dbraw/zinc/53/49/23/1367534923.db2.gz GULQVZGEMGJLHY-FUMNGEBKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108734856 1367566181 /nfs/dbraw/zinc/56/61/81/1367566181.db2.gz ZVUCHWUHIVBWCF-BJLQDIEVSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780731 1367592765 /nfs/dbraw/zinc/59/27/65/1367592765.db2.gz KVJOHFREFKKFML-UFYCRDLUSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108781593 1367593431 /nfs/dbraw/zinc/59/34/31/1367593431.db2.gz YQLDNFBEQOXXSW-OTWHNJEPSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947755 1367646817 /nfs/dbraw/zinc/64/68/17/1367646817.db2.gz KOPPHBATHASDJU-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191947755 1367646821 /nfs/dbraw/zinc/64/68/21/1367646821.db2.gz KOPPHBATHASDJU-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191947755 1367646826 /nfs/dbraw/zinc/64/68/26/1367646826.db2.gz KOPPHBATHASDJU-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950571 1367647552 /nfs/dbraw/zinc/64/75/52/1367647552.db2.gz URZKMXIBKGYNSD-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191950571 1367647557 /nfs/dbraw/zinc/64/75/57/1367647557.db2.gz URZKMXIBKGYNSD-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191950571 1367647564 /nfs/dbraw/zinc/64/75/64/1367647564.db2.gz URZKMXIBKGYNSD-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423557 1368025523 /nfs/dbraw/zinc/02/55/23/1368025523.db2.gz CKRDOWJUTZOSRW-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423557 1368025528 /nfs/dbraw/zinc/02/55/28/1368025528.db2.gz CKRDOWJUTZOSRW-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423557 1368025535 /nfs/dbraw/zinc/02/55/35/1368025535.db2.gz CKRDOWJUTZOSRW-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463264 1368311855 /nfs/dbraw/zinc/31/18/55/1368311855.db2.gz HDNQPRHCUKYGGA-YSTOQKLRSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001195854735 1368504621 /nfs/dbraw/zinc/50/46/21/1368504621.db2.gz ZOJXHJFXNDQZIE-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001195854735 1368504625 /nfs/dbraw/zinc/50/46/25/1368504625.db2.gz ZOJXHJFXNDQZIE-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001195854735 1368504627 /nfs/dbraw/zinc/50/46/27/1368504627.db2.gz ZOJXHJFXNDQZIE-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195866385 1368506833 /nfs/dbraw/zinc/50/68/33/1368506833.db2.gz ZUWMETZFUYGEJN-UXHICEINSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195866385 1368506836 /nfs/dbraw/zinc/50/68/36/1368506836.db2.gz ZUWMETZFUYGEJN-UXHICEINSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195866385 1368506838 /nfs/dbraw/zinc/50/68/38/1368506838.db2.gz ZUWMETZFUYGEJN-UXHICEINSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001111890838 1368535693 /nfs/dbraw/zinc/53/56/93/1368535693.db2.gz BIBVBPQCOXHNFJ-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196383045 1368602756 /nfs/dbraw/zinc/60/27/56/1368602756.db2.gz XVQJNCXPBCABJL-INIZCTEOSA-N 2 1 340.471 3.145 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003873 1368607335 /nfs/dbraw/zinc/60/73/35/1368607335.db2.gz FKQLHRULHDZFCI-DYXWJJEUSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410505 1368830606 /nfs/dbraw/zinc/83/06/06/1368830606.db2.gz BGVPPEDFWXFCGU-ZVDOUQERSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112586070 1368937826 /nfs/dbraw/zinc/93/78/26/1368937826.db2.gz FXNFMNYFTUWMMB-ZVDOUQERSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364062 1369015835 /nfs/dbraw/zinc/01/58/35/1369015835.db2.gz MGBSRKQFKPFOMN-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001186605747 1387985584 /nfs/dbraw/zinc/98/55/84/1387985584.db2.gz STYBSBHAYKFLQM-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186605747 1387985589 /nfs/dbraw/zinc/98/55/89/1387985589.db2.gz STYBSBHAYKFLQM-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186605747 1387985593 /nfs/dbraw/zinc/98/55/93/1387985593.db2.gz STYBSBHAYKFLQM-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200508329 1369383320 /nfs/dbraw/zinc/38/33/20/1369383320.db2.gz ZLHKPWRIAOSPNM-IBGZPJMESA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201379234 1369530606 /nfs/dbraw/zinc/53/06/06/1369530606.db2.gz YBJYJIUKXAWTOW-UHFFFAOYSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202145080 1369701426 /nfs/dbraw/zinc/70/14/26/1369701426.db2.gz RGAUCWLYLMTHQQ-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507764 1370149124 /nfs/dbraw/zinc/14/91/24/1370149124.db2.gz UYHGICZVRNTYOA-MOPGFXCFSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115759404 1370742923 /nfs/dbraw/zinc/74/29/23/1370742923.db2.gz CGMBMNDPQIMPIA-SFHVURJKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420043 1370749035 /nfs/dbraw/zinc/74/90/35/1370749035.db2.gz AWZYSRZEPVKPCH-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768946 1370753714 /nfs/dbraw/zinc/75/37/14/1370753714.db2.gz OGTUEGMNWIXUBI-RTBURBONSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461868 1370762827 /nfs/dbraw/zinc/76/28/27/1370762827.db2.gz QTCQXRABNOAXDG-ICSRJNTNSA-N 2 1 349.563 3.432 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCC[C@@H]1C[NH3+] ZINC001205995472 1370933346 /nfs/dbraw/zinc/93/33/46/1370933346.db2.gz OILSHKWXQQYXHI-TZMCWYRMSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206445015 1371057118 /nfs/dbraw/zinc/05/71/18/1371057118.db2.gz JQMXJJGDTVYGTJ-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073985 1371588271 /nfs/dbraw/zinc/58/82/71/1371588271.db2.gz RNSPOYLWAJBZAR-GBESFXJTSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185076 1371626451 /nfs/dbraw/zinc/62/64/51/1371626451.db2.gz IYZMNNOBWVSOSG-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210236367 1372301318 /nfs/dbraw/zinc/30/13/18/1372301318.db2.gz MXCJGHIUULNJHW-RTBURBONSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633571 1372396478 /nfs/dbraw/zinc/39/64/78/1372396478.db2.gz FWRJIOWTQMPIIH-MSOLQXFVSA-N 2 1 349.906 3.013 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323872 1373300220 /nfs/dbraw/zinc/30/02/20/1373300220.db2.gz NHTQZKYIDHOLGN-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323820 1373300231 /nfs/dbraw/zinc/30/02/31/1373300231.db2.gz KMPBZGCKDINKKX-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844718 1373349841 /nfs/dbraw/zinc/34/98/41/1373349841.db2.gz JBDQETYVYIWRSV-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001224187506 1375060254 /nfs/dbraw/zinc/06/02/54/1375060254.db2.gz RGUSYAHBBVNSER-ICSRJNTNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105510 1375150258 /nfs/dbraw/zinc/15/02/58/1375150258.db2.gz ILRVUZHOZCJCSD-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105854 1375150741 /nfs/dbraw/zinc/15/07/41/1375150741.db2.gz NSHVJKRODQHIMJ-ZWKOTPCHSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226775002 1375331441 /nfs/dbraw/zinc/33/14/41/1375331441.db2.gz PHZUMPDUMBFYNP-AQNXPRMDSA-N 2 1 347.547 3.377 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001132417363 1375364034 /nfs/dbraw/zinc/36/40/34/1375364034.db2.gz WLZYVYLBQVHQNU-FXAWDEMLSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464733 1375433303 /nfs/dbraw/zinc/43/33/03/1375433303.db2.gz PIRAGXLKHCCCTQ-DLBZAZTESA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227791316 1375474493 /nfs/dbraw/zinc/47/44/93/1375474493.db2.gz BOQALPQGBABJBX-MJGOQNOKSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001228801523 1375681958 /nfs/dbraw/zinc/68/19/58/1375681958.db2.gz QTJIZGDAETWJFZ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133315365 1375918353 /nfs/dbraw/zinc/91/83/53/1375918353.db2.gz SLGSBLCVEKBNCG-PKOBYXMFSA-N 2 1 346.519 3.012 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133346742 1375934889 /nfs/dbraw/zinc/93/48/89/1375934889.db2.gz ONUZNEDQRQJOKQ-MOPGFXCFSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)CC[N@@H+](C)CCC)CC1 ZINC001230107462 1375943540 /nfs/dbraw/zinc/94/35/40/1375943540.db2.gz GNHDSOFLSBZGOB-UHFFFAOYSA-N 2 1 325.541 3.269 20 30 EGEDMP N#Cc1ccnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001232477988 1376466076 /nfs/dbraw/zinc/46/60/76/1376466076.db2.gz IJLZSNMPUIQACO-UHFFFAOYSA-N 2 1 336.439 3.034 20 30 EGEDMP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608625 1376623647 /nfs/dbraw/zinc/62/36/47/1376623647.db2.gz XYYQQDZDHROZCK-IRXDYDNUSA-N 2 1 325.541 3.314 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791846 1376724836 /nfs/dbraw/zinc/72/48/36/1376724836.db2.gz WIVARIHLLVZYMK-IRXDYDNUSA-N 2 1 337.552 3.479 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077089 1376881684 /nfs/dbraw/zinc/88/16/84/1376881684.db2.gz LDFLOYLCWCBJEH-HZPDHXFCSA-N 2 1 343.943 3.266 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135690245 1377184280 /nfs/dbraw/zinc/18/42/80/1377184280.db2.gz GJKHGXWZJBXVDP-ZWKOTPCHSA-N 2 1 325.541 3.338 20 30 EGEDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001137121637 1377482451 /nfs/dbraw/zinc/48/24/51/1377482451.db2.gz WMXJEIRVZHURJH-RBUKOAKNSA-N 2 1 327.472 3.428 20 30 EGEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137121637 1377482453 /nfs/dbraw/zinc/48/24/53/1377482453.db2.gz WMXJEIRVZHURJH-RBUKOAKNSA-N 2 1 327.472 3.428 20 30 EGEDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001137121637 1377482455 /nfs/dbraw/zinc/48/24/55/1377482455.db2.gz WMXJEIRVZHURJH-RBUKOAKNSA-N 2 1 327.472 3.428 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001148017581 1379106634 /nfs/dbraw/zinc/10/66/34/1379106634.db2.gz TWUAKBFRIREHPE-UHFFFAOYSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148286245 1379145955 /nfs/dbraw/zinc/14/59/55/1379145955.db2.gz VMUPFBAFILEIGT-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148833999 1379279559 /nfs/dbraw/zinc/27/95/59/1379279559.db2.gz QDPJUZPZSCJJCH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833999 1379279562 /nfs/dbraw/zinc/27/95/62/1379279562.db2.gz QDPJUZPZSCJJCH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833999 1379279566 /nfs/dbraw/zinc/27/95/66/1379279566.db2.gz QDPJUZPZSCJJCH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455114 1380280559 /nfs/dbraw/zinc/28/05/59/1380280559.db2.gz GCIXKSPIBCOTES-UYAOXDASSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481357 1380285671 /nfs/dbraw/zinc/28/56/71/1380285671.db2.gz OGEDCCGMVTVQEQ-MRXNPFEDSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481357 1380285673 /nfs/dbraw/zinc/28/56/73/1380285673.db2.gz OGEDCCGMVTVQEQ-MRXNPFEDSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154480689 1380285774 /nfs/dbraw/zinc/28/57/74/1380285774.db2.gz DUTSHFHZNSTWLK-GOSISDBHSA-N 2 1 345.531 3.197 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154482116 1380286744 /nfs/dbraw/zinc/28/67/44/1380286744.db2.gz ZIGBKPUHJQIRKL-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844697 1380364164 /nfs/dbraw/zinc/36/41/64/1380364164.db2.gz VJGYRGTVEBGMAP-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844697 1380364168 /nfs/dbraw/zinc/36/41/68/1380364168.db2.gz VJGYRGTVEBGMAP-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844697 1380364171 /nfs/dbraw/zinc/36/41/71/1380364171.db2.gz VJGYRGTVEBGMAP-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157118578 1380779441 /nfs/dbraw/zinc/77/94/41/1380779441.db2.gz IMEBKHYRVHOMTC-MOPGFXCFSA-N 2 1 337.552 3.290 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cncc1C ZINC001158227713 1381166208 /nfs/dbraw/zinc/16/62/08/1381166208.db2.gz LSYXMCZGMYTWNH-LJQANCHMSA-N 2 1 348.535 3.475 20 30 EGEDMP CCCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227713 1381166214 /nfs/dbraw/zinc/16/62/14/1381166214.db2.gz LSYXMCZGMYTWNH-LJQANCHMSA-N 2 1 348.535 3.475 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227713 1381166215 /nfs/dbraw/zinc/16/62/15/1381166215.db2.gz LSYXMCZGMYTWNH-LJQANCHMSA-N 2 1 348.535 3.475 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001158290140 1381186384 /nfs/dbraw/zinc/18/63/84/1381186384.db2.gz ZBNCOUNBKCRPIR-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001158354261 1381214816 /nfs/dbraw/zinc/21/48/16/1381214816.db2.gz GJZRGQJSADUTBO-QGZVFWFLSA-N 2 1 334.508 3.239 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763608 1381388130 /nfs/dbraw/zinc/38/81/30/1381388130.db2.gz GORAFPAKKUOBEB-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158913993 1381460922 /nfs/dbraw/zinc/46/09/22/1381460922.db2.gz IVQPVMBGRGPJOM-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161030350 1382277741 /nfs/dbraw/zinc/27/77/41/1382277741.db2.gz ZNXGYVVUOWHBBG-UHFFFAOYSA-N 2 1 347.547 3.213 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161705254 1382485616 /nfs/dbraw/zinc/48/56/16/1382485616.db2.gz QTFQYSGLYJAMSS-FQEVSTJZSA-N 2 1 349.563 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161705254 1382485618 /nfs/dbraw/zinc/48/56/18/1382485618.db2.gz QTFQYSGLYJAMSS-FQEVSTJZSA-N 2 1 349.563 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161705254 1382485619 /nfs/dbraw/zinc/48/56/19/1382485619.db2.gz QTFQYSGLYJAMSS-FQEVSTJZSA-N 2 1 349.563 3.437 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749818 1382495176 /nfs/dbraw/zinc/49/51/76/1382495176.db2.gz OPZAACRQMLGVBP-SFHVURJKSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749818 1382495178 /nfs/dbraw/zinc/49/51/78/1382495178.db2.gz OPZAACRQMLGVBP-SFHVURJKSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749818 1382495179 /nfs/dbraw/zinc/49/51/79/1382495179.db2.gz OPZAACRQMLGVBP-SFHVURJKSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161899371 1382544087 /nfs/dbraw/zinc/54/40/87/1382544087.db2.gz VMSXDQCLMJYZIF-UHFFFAOYSA-N 2 1 347.547 3.357 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473274 1383300537 /nfs/dbraw/zinc/30/05/37/1383300537.db2.gz ZGAGHLKPIKOPEC-RTBURBONSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165763523 1383341194 /nfs/dbraw/zinc/34/11/94/1383341194.db2.gz AJWNDBMYJKQPJU-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001167426583 1383630724 /nfs/dbraw/zinc/63/07/24/1383630724.db2.gz UJDWUEHRMPJREV-QGZVFWFLSA-N 2 1 348.535 3.435 20 30 EGEDMP Cc1ccc[nH+]c1N([C@H](C)Cc1cccc(C#N)c1)C1CC[NH2+]CC1 ZINC001171233162 1384476213 /nfs/dbraw/zinc/47/62/13/1384476213.db2.gz ZPHHWBYISAWOJW-QGZVFWFLSA-N 2 1 334.467 3.451 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248676 1384478060 /nfs/dbraw/zinc/47/80/60/1384478060.db2.gz XRJLZDSPLGBBFI-PKOBYXMFSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCOc1ccccc1[C@@H](C)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001171374213 1384504876 /nfs/dbraw/zinc/50/48/76/1384504876.db2.gz XSKPYSJWFXICND-MRXNPFEDSA-N 2 1 338.455 3.229 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171634186 1384587221 /nfs/dbraw/zinc/58/72/21/1384587221.db2.gz OARRKAWCOPPMEI-IRXDYDNUSA-N 2 1 343.943 3.124 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171634185 1384587251 /nfs/dbraw/zinc/58/72/51/1384587251.db2.gz OARRKAWCOPPMEI-IAGOWNOFSA-N 2 1 343.943 3.124 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128271 1384736196 /nfs/dbraw/zinc/73/61/96/1384736196.db2.gz QPOQCEVWXYXOTE-NMLBUPMWSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128271 1384736200 /nfs/dbraw/zinc/73/62/00/1384736200.db2.gz QPOQCEVWXYXOTE-NMLBUPMWSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001172128271 1384736203 /nfs/dbraw/zinc/73/62/03/1384736203.db2.gz QPOQCEVWXYXOTE-NMLBUPMWSA-N 2 1 339.483 3.417 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172300057 1384763022 /nfs/dbraw/zinc/76/30/22/1384763022.db2.gz RMWISYAEIAZVKE-KRWDZBQOSA-N 2 1 349.478 3.449 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001172319982 1384769090 /nfs/dbraw/zinc/76/90/90/1384769090.db2.gz SNOHEHOSJQPIRT-MRXNPFEDSA-N 2 1 329.463 3.388 20 30 EGEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882918 1385164804 /nfs/dbraw/zinc/16/48/04/1385164804.db2.gz YMLNOUBXEUHVRP-UYAOXDASSA-N 2 1 347.547 3.071 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317930193 1385571750 /nfs/dbraw/zinc/57/17/50/1385571750.db2.gz GIUGRUXELPCXDM-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317930193 1385571753 /nfs/dbraw/zinc/57/17/53/1385571753.db2.gz GIUGRUXELPCXDM-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317930193 1385571756 /nfs/dbraw/zinc/57/17/56/1385571756.db2.gz GIUGRUXELPCXDM-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176760207 1385686515 /nfs/dbraw/zinc/68/65/15/1385686515.db2.gz RMYSXEBIYNBBJX-MJGOQNOKSA-N 2 1 331.504 3.130 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001177341723 1385921277 /nfs/dbraw/zinc/92/12/77/1385921277.db2.gz BBINMOWXOSRZKZ-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001177348403 1385923180 /nfs/dbraw/zinc/92/31/80/1385923180.db2.gz GUJASHFILCZIII-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234475 1386428391 /nfs/dbraw/zinc/42/83/91/1386428391.db2.gz PAFCALWUDMJDFD-HKUYNNGSSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592531 1386526304 /nfs/dbraw/zinc/52/63/04/1386526304.db2.gz FWFTZXYDHSYQTL-UHFFFAOYSA-N 2 1 325.541 3.197 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788256 1386585995 /nfs/dbraw/zinc/58/59/95/1386585995.db2.gz SMKLGHNHJLIXAH-DLBZAZTESA-N 2 1 341.927 3.022 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728918 1387046701 /nfs/dbraw/zinc/04/67/01/1387046701.db2.gz UGUKPBXNLNNWJP-SVFBPWRDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182000588 1387092038 /nfs/dbraw/zinc/09/20/38/1387092038.db2.gz FASMKAHSNKQKCR-SFHLNBCPSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001752837296 1440228563 /nfs/dbraw/zinc/22/85/63/1440228563.db2.gz RVCDENURIVVDME-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001752851974 1440233784 /nfs/dbraw/zinc/23/37/84/1440233784.db2.gz KURXFUVQMSHUJP-VIQWUECVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001752999997 1440264130 /nfs/dbraw/zinc/26/41/30/1440264130.db2.gz LQVBXPOGDYGEQK-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001753447778 1440404631 /nfs/dbraw/zinc/40/46/31/1440404631.db2.gz GJTOBFUOVSISRE-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753447778 1440404632 /nfs/dbraw/zinc/40/46/32/1440404632.db2.gz GJTOBFUOVSISRE-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753447778 1440404633 /nfs/dbraw/zinc/40/46/33/1440404633.db2.gz GJTOBFUOVSISRE-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753447778 1440404634 /nfs/dbraw/zinc/40/46/34/1440404634.db2.gz GJTOBFUOVSISRE-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001753836849 1440501247 /nfs/dbraw/zinc/50/12/47/1440501247.db2.gz FYTWKJJERBUAIQ-PMACEKPBSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001754557365 1440632391 /nfs/dbraw/zinc/63/23/91/1440632391.db2.gz GREFWXCQFRUCRI-OAQYLSRUSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001754557365 1440632392 /nfs/dbraw/zinc/63/23/92/1440632392.db2.gz GREFWXCQFRUCRI-OAQYLSRUSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001754557365 1440632393 /nfs/dbraw/zinc/63/23/93/1440632393.db2.gz GREFWXCQFRUCRI-OAQYLSRUSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001754568630 1440636531 /nfs/dbraw/zinc/63/65/31/1440636531.db2.gz GFHFDXRFSOBSHV-HXUWFJFHSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001754568630 1440636532 /nfs/dbraw/zinc/63/65/32/1440636532.db2.gz GFHFDXRFSOBSHV-HXUWFJFHSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001754568630 1440636533 /nfs/dbraw/zinc/63/65/33/1440636533.db2.gz GFHFDXRFSOBSHV-HXUWFJFHSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCCCC[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001755367987 1440835936 /nfs/dbraw/zinc/83/59/36/1440835936.db2.gz MVXOIGWNHMMATA-IBGZPJMESA-N 2 1 347.547 3.189 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001755833247 1440929257 /nfs/dbraw/zinc/92/92/57/1440929257.db2.gz XXZCODHWJBRZRO-INIZCTEOSA-N 2 1 325.541 3.051 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001755892974 1440942134 /nfs/dbraw/zinc/94/21/34/1440942134.db2.gz CKHRCBZJIZTCLV-ICSRJNTNSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001755892974 1440942135 /nfs/dbraw/zinc/94/21/35/1440942135.db2.gz CKHRCBZJIZTCLV-ICSRJNTNSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001755892974 1440942136 /nfs/dbraw/zinc/94/21/36/1440942136.db2.gz CKHRCBZJIZTCLV-ICSRJNTNSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CC[NH+]1CCN(c2ccc([C@@H]3CCCC[N@H+]3CCC)cn2)CC1 ZINC001165034372 721873008 /nfs/dbraw/zinc/87/30/08/721873008.db2.gz IORVSXDAFJHBQT-IBGZPJMESA-N 2 1 328.504 3.327 20 30 EGEDMP C=CC[NH+]1CCN(c2ccc([C@@H]3CCCC[N@@H+]3CCC)cn2)CC1 ZINC001165034372 721873009 /nfs/dbraw/zinc/87/30/09/721873009.db2.gz IORVSXDAFJHBQT-IBGZPJMESA-N 2 1 328.504 3.327 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000248433175 163005544 /nfs/dbraw/zinc/00/55/44/163005544.db2.gz CWTDPCGKCOMKRH-VGSWGCGISA-N 2 1 349.478 3.366 20 30 EGEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 ZINC000171306892 227006486 /nfs/dbraw/zinc/00/64/86/227006486.db2.gz JPBSFKDGHYITFZ-IYBDPMFKSA-N 2 1 345.462 3.019 20 30 EGEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 ZINC000171306892 227006490 /nfs/dbraw/zinc/00/64/90/227006490.db2.gz JPBSFKDGHYITFZ-IYBDPMFKSA-N 2 1 345.462 3.019 20 30 EGEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000104179676 454576921 /nfs/dbraw/zinc/57/69/21/454576921.db2.gz KTUHARMCFMZBQW-GFCCVEGCSA-N 2 1 344.381 3.044 20 30 EGEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](C#N)CCC#N ZINC000092820955 454639460 /nfs/dbraw/zinc/63/94/60/454639460.db2.gz YFUFQJFEQZAXIC-GOSISDBHSA-N 2 1 325.460 3.063 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000106245628 454687467 /nfs/dbraw/zinc/68/74/67/454687467.db2.gz MRMXBDVJHYJKKY-UHFFFAOYSA-N 2 1 328.435 3.346 20 30 EGEDMP C[N@@H+]1CC=C(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000271832313 455779375 /nfs/dbraw/zinc/77/93/75/455779375.db2.gz RAIPUVWOHGXTNH-UHFFFAOYSA-N 2 1 336.439 3.467 20 30 EGEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285586525 455875964 /nfs/dbraw/zinc/87/59/64/455875964.db2.gz VPPRTZCZRLULKE-UHFFFAOYSA-N 2 1 342.418 3.136 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000337213388 456338816 /nfs/dbraw/zinc/33/88/16/456338816.db2.gz WGXQBXOOYZGZLU-UHFFFAOYSA-N 2 1 332.492 3.258 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337213388 456338821 /nfs/dbraw/zinc/33/88/21/456338821.db2.gz WGXQBXOOYZGZLU-UHFFFAOYSA-N 2 1 332.492 3.258 20 30 EGEDMP N#Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1F ZINC000348318312 456619278 /nfs/dbraw/zinc/61/92/78/456619278.db2.gz LOPFWMUHSICWIO-BGYRXZFFSA-N 2 1 335.426 3.261 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000277175100 456709595 /nfs/dbraw/zinc/70/95/95/456709595.db2.gz HEOYHYPJLULGQX-MRXNPFEDSA-N 2 1 332.488 3.352 20 30 EGEDMP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363581932 457371627 /nfs/dbraw/zinc/37/16/27/457371627.db2.gz BRORXMJTACVJLJ-QZTJIDSGSA-N 2 1 330.472 3.367 20 30 EGEDMP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363581932 457371629 /nfs/dbraw/zinc/37/16/29/457371629.db2.gz BRORXMJTACVJLJ-QZTJIDSGSA-N 2 1 330.472 3.367 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000414530098 458321907 /nfs/dbraw/zinc/32/19/07/458321907.db2.gz QOFHWKQQDHDDNZ-WOJBJXKFSA-N 2 1 343.515 3.443 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000414530098 458321912 /nfs/dbraw/zinc/32/19/12/458321912.db2.gz QOFHWKQQDHDDNZ-WOJBJXKFSA-N 2 1 343.515 3.443 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369720439 458326216 /nfs/dbraw/zinc/32/62/16/458326216.db2.gz ICXYJSYLTLFBKF-UHFFFAOYSA-N 2 1 340.515 3.344 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512617773 458787603 /nfs/dbraw/zinc/78/76/03/458787603.db2.gz GRXHBZJGMFUGDM-DOIPELPJSA-N 2 1 328.500 3.061 20 30 EGEDMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000441035451 458878802 /nfs/dbraw/zinc/87/88/02/458878802.db2.gz DAYVCXXNFKMWOK-SFHVURJKSA-N 2 1 340.515 3.110 20 30 EGEDMP C=CC[C@H](C)[C@@H](C)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000558274281 459144257 /nfs/dbraw/zinc/14/42/57/459144257.db2.gz QDGYSHMGJGNNCF-JKSUJKDBSA-N 2 1 342.487 3.450 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000591570870 459404544 /nfs/dbraw/zinc/40/45/44/459404544.db2.gz YIERTWMZMMBPAG-AZUAARDMSA-N 2 1 337.398 3.043 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000583330188 459523445 /nfs/dbraw/zinc/52/34/45/459523445.db2.gz PHUALDZOYBDLSK-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598591330 459955051 /nfs/dbraw/zinc/95/50/51/459955051.db2.gz ZQTXWFDUQBSIAZ-HXUWFJFHSA-N 2 1 343.515 3.131 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598713306 460003630 /nfs/dbraw/zinc/00/36/30/460003630.db2.gz ANYYKEHIRNCMSD-FXAWDEMLSA-N 2 1 343.515 3.309 20 30 EGEDMP N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612051958 460520734 /nfs/dbraw/zinc/52/07/34/460520734.db2.gz ZANARWGLHUUYQR-PLACYPQZSA-N 2 1 336.483 3.320 20 30 EGEDMP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612051958 460520743 /nfs/dbraw/zinc/52/07/43/460520743.db2.gz ZANARWGLHUUYQR-PLACYPQZSA-N 2 1 336.483 3.320 20 30 EGEDMP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612051958 460520747 /nfs/dbraw/zinc/52/07/47/460520747.db2.gz ZANARWGLHUUYQR-PLACYPQZSA-N 2 1 336.483 3.320 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000152983479 526604972 /nfs/dbraw/zinc/60/49/72/526604972.db2.gz YTXSLSOEHOJOQG-INIZCTEOSA-N 2 1 330.472 3.367 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000153699094 528668336 /nfs/dbraw/zinc/66/83/36/528668336.db2.gz NOQLDGLEBYOEIH-UWVAXJGDSA-N 2 1 329.488 3.346 20 30 EGEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F)C(C)C ZINC000160710769 1294275535 /nfs/dbraw/zinc/27/55/35/1294275535.db2.gz DDYMVNAMWSWDBT-UHFFFAOYSA-N 2 1 332.370 3.042 20 30 EGEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])Nc1ccc(OC)cc1)C(C)C ZINC000303878121 1296864439 /nfs/dbraw/zinc/86/44/39/1296864439.db2.gz FTRSMDLNJATYDV-SFHVURJKSA-N 2 1 330.476 3.120 20 30 EGEDMP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303877512 1296866129 /nfs/dbraw/zinc/86/61/29/1296866129.db2.gz FJQKHPDQRUCVOC-CALCHBBNSA-N 2 1 328.504 3.145 20 30 EGEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000304678042 1296934830 /nfs/dbraw/zinc/93/48/30/1296934830.db2.gz NYOMDAWGWBZUJL-MRXNPFEDSA-N 2 1 328.504 3.412 20 30 EGEDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc2)CC1 ZINC000775677555 1304013307 /nfs/dbraw/zinc/01/33/07/1304013307.db2.gz NYWHXZHBFAGDAX-UHFFFAOYSA-N 2 1 328.504 3.200 20 30 EGEDMP C#C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000796949607 1310113665 /nfs/dbraw/zinc/11/36/65/1310113665.db2.gz QOXMQROUMFBYPW-JSRAGOMMSA-N 2 1 326.484 3.200 20 30 EGEDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000902948367 1317633357 /nfs/dbraw/zinc/63/33/57/1317633357.db2.gz RFCQSFHJBBJKSZ-FGZHOGPDSA-N 2 1 349.478 3.366 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000821212324 1320003639 /nfs/dbraw/zinc/00/36/39/1320003639.db2.gz CIWWFLNZFNWHIC-UHFFFAOYSA-N 2 1 347.462 3.182 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000821212324 1320003642 /nfs/dbraw/zinc/00/36/42/1320003642.db2.gz CIWWFLNZFNWHIC-UHFFFAOYSA-N 2 1 347.462 3.182 20 30 EGEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924694924 1323116330 /nfs/dbraw/zinc/11/63/30/1323116330.db2.gz OYRQAHZXDYKSAE-GOSISDBHSA-N 2 1 342.531 3.242 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093560 1323278076 /nfs/dbraw/zinc/27/80/76/1323278076.db2.gz MXXVPMVACFRWFS-QFBILLFUSA-N 2 1 327.472 3.189 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024523883 1323470898 /nfs/dbraw/zinc/47/08/98/1323470898.db2.gz RLVCRQDHWMEXGU-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523883 1323470907 /nfs/dbraw/zinc/47/09/07/1323470907.db2.gz RLVCRQDHWMEXGU-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024523883 1323470917 /nfs/dbraw/zinc/47/09/17/1323470917.db2.gz RLVCRQDHWMEXGU-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814193 1323717770 /nfs/dbraw/zinc/71/77/70/1323717770.db2.gz PEYMYXALRTUPCD-LJQANCHMSA-N 2 1 343.515 3.299 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624072 1324474320 /nfs/dbraw/zinc/47/43/20/1324474320.db2.gz AYJJAXCJPWEOQH-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963306352 1325087907 /nfs/dbraw/zinc/08/79/07/1325087907.db2.gz NXXGLWGYRXIFNW-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027412026 1327639949 /nfs/dbraw/zinc/63/99/49/1327639949.db2.gz VSSURFPFHRXNJJ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027412026 1327639953 /nfs/dbraw/zinc/63/99/53/1327639953.db2.gz VSSURFPFHRXNJJ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027412026 1327639955 /nfs/dbraw/zinc/63/99/55/1327639955.db2.gz VSSURFPFHRXNJJ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945337319 1332561034 /nfs/dbraw/zinc/56/10/34/1332561034.db2.gz WNGWHFCUKPLHQQ-WMZOPIPTSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947799733 1333265411 /nfs/dbraw/zinc/26/54/11/1333265411.db2.gz CIXREMZJUOOBOA-XLIONFOSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948569929 1333580383 /nfs/dbraw/zinc/58/03/83/1333580383.db2.gz GEDRUUGSRXEONB-KRWDZBQOSA-N 2 1 340.471 3.145 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948705511 1333641414 /nfs/dbraw/zinc/64/14/14/1333641414.db2.gz IBDWOIBELGQNMB-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000948705511 1333641417 /nfs/dbraw/zinc/64/14/17/1333641417.db2.gz IBDWOIBELGQNMB-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000948705511 1333641420 /nfs/dbraw/zinc/64/14/20/1333641420.db2.gz IBDWOIBELGQNMB-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820486 1333697411 /nfs/dbraw/zinc/69/74/11/1333697411.db2.gz JUFGDWQTROXTCV-SFHVURJKSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820486 1333697413 /nfs/dbraw/zinc/69/74/13/1333697413.db2.gz JUFGDWQTROXTCV-SFHVURJKSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829293 1333701253 /nfs/dbraw/zinc/70/12/53/1333701253.db2.gz JEBWMZOFICGJTD-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829293 1333701258 /nfs/dbraw/zinc/70/12/58/1333701258.db2.gz JEBWMZOFICGJTD-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829293 1333701260 /nfs/dbraw/zinc/70/12/60/1333701260.db2.gz JEBWMZOFICGJTD-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968688016 1336011554 /nfs/dbraw/zinc/01/15/54/1336011554.db2.gz JGWYIBYCOWUYGQ-AEFFLSMTSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719499 1336335619 /nfs/dbraw/zinc/33/56/19/1336335619.db2.gz RZWIPMZNMJSLTP-PKOBYXMFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001018312376 1339572454 /nfs/dbraw/zinc/57/24/54/1339572454.db2.gz DOULLZLRJXWKEO-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039282146 1344995232 /nfs/dbraw/zinc/99/52/32/1344995232.db2.gz DCARKXFMQQIKTP-RAFMOHDBSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048540013 1347584238 /nfs/dbraw/zinc/58/42/38/1347584238.db2.gz WFDPHVUTYBGKFF-YRPNKDGESA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048540013 1347584239 /nfs/dbraw/zinc/58/42/39/1347584239.db2.gz WFDPHVUTYBGKFF-YRPNKDGESA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048540013 1347584240 /nfs/dbraw/zinc/58/42/40/1347584240.db2.gz WFDPHVUTYBGKFF-YRPNKDGESA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001048558514 1347592928 /nfs/dbraw/zinc/59/29/28/1347592928.db2.gz XYKROIIGOPVOIE-HAGHYFMRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048558514 1347592929 /nfs/dbraw/zinc/59/29/29/1347592929.db2.gz XYKROIIGOPVOIE-HAGHYFMRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048558514 1347592931 /nfs/dbraw/zinc/59/29/31/1347592931.db2.gz XYKROIIGOPVOIE-HAGHYFMRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476983 1347867995 /nfs/dbraw/zinc/86/79/95/1347867995.db2.gz DXPCNSRMIOOWFS-RBUKOAKNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837365 1348695638 /nfs/dbraw/zinc/69/56/38/1348695638.db2.gz PXBDKOQTCWMSQI-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC)CC1 ZINC001052990650 1348790363 /nfs/dbraw/zinc/79/03/63/1348790363.db2.gz JNIDSXDVBPSKDJ-ZVDOUQERSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC)CC1 ZINC001052990650 1348790366 /nfs/dbraw/zinc/79/03/66/1348790366.db2.gz JNIDSXDVBPSKDJ-ZVDOUQERSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141746 1349153601 /nfs/dbraw/zinc/15/36/01/1349153601.db2.gz ORDPGCSHGPTUQF-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141746 1349153602 /nfs/dbraw/zinc/15/36/02/1349153602.db2.gz ORDPGCSHGPTUQF-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141746 1349153604 /nfs/dbraw/zinc/15/36/04/1349153604.db2.gz ORDPGCSHGPTUQF-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174710 1349176191 /nfs/dbraw/zinc/17/61/91/1349176191.db2.gz YNDKTWAUOBKZCP-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226747 1349221146 /nfs/dbraw/zinc/22/11/46/1349221146.db2.gz YBQKWRYXVQDLTH-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001054226747 1349221147 /nfs/dbraw/zinc/22/11/47/1349221147.db2.gz YBQKWRYXVQDLTH-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001054226747 1349221152 /nfs/dbraw/zinc/22/11/52/1349221152.db2.gz YBQKWRYXVQDLTH-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095509 1355126454 /nfs/dbraw/zinc/12/64/54/1355126454.db2.gz JNFUCSJJNPNTMB-XLIONFOSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927140 1359252159 /nfs/dbraw/zinc/25/21/59/1359252159.db2.gz TWPKLCXTZGDTGG-GOSISDBHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927551 1359252671 /nfs/dbraw/zinc/25/26/71/1359252671.db2.gz FPZIEOXCHAGZSD-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602419 1359550852 /nfs/dbraw/zinc/55/08/52/1359550852.db2.gz OQCRVKUAHXFPPN-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602419 1359550855 /nfs/dbraw/zinc/55/08/55/1359550855.db2.gz OQCRVKUAHXFPPN-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602419 1359550856 /nfs/dbraw/zinc/55/08/56/1359550856.db2.gz OQCRVKUAHXFPPN-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699529 1359598563 /nfs/dbraw/zinc/59/85/63/1359598563.db2.gz ZYDZAXRIJCMJDX-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699529 1359598565 /nfs/dbraw/zinc/59/85/65/1359598565.db2.gz ZYDZAXRIJCMJDX-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699529 1359598569 /nfs/dbraw/zinc/59/85/69/1359598569.db2.gz ZYDZAXRIJCMJDX-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367246 1359851710 /nfs/dbraw/zinc/85/17/10/1359851710.db2.gz FWNJTWZRGUHKSG-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089380556 1360383120 /nfs/dbraw/zinc/38/31/20/1360383120.db2.gz FWTMMINZNKTXEB-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089380556 1360383122 /nfs/dbraw/zinc/38/31/22/1360383122.db2.gz FWTMMINZNKTXEB-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089380556 1360383125 /nfs/dbraw/zinc/38/31/25/1360383125.db2.gz FWTMMINZNKTXEB-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089442744 1360432471 /nfs/dbraw/zinc/43/24/71/1360432471.db2.gz SCVZPFCGGZNIGL-KRWDZBQOSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509547 1360481028 /nfs/dbraw/zinc/48/10/28/1360481028.db2.gz JEFWDHYGRHIXRS-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510609 1360482047 /nfs/dbraw/zinc/48/20/47/1360482047.db2.gz YVCWDRSGSWESRY-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089518454 1360487711 /nfs/dbraw/zinc/48/77/11/1360487711.db2.gz FOESOWRRVKCNPP-LJQANCHMSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565741 1360512339 /nfs/dbraw/zinc/51/23/39/1360512339.db2.gz YPBFEAVEXYTPQQ-GOSISDBHSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671826 1360581566 /nfs/dbraw/zinc/58/15/66/1360581566.db2.gz WNRQSHDKVRSNFO-SFHVURJKSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001099069220 1363606105 /nfs/dbraw/zinc/60/61/05/1363606105.db2.gz CIGMSJIEAUMKLO-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001099069220 1363606110 /nfs/dbraw/zinc/60/61/10/1363606110.db2.gz CIGMSJIEAUMKLO-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001099069220 1363606112 /nfs/dbraw/zinc/60/61/12/1363606112.db2.gz CIGMSJIEAUMKLO-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106369 1363624598 /nfs/dbraw/zinc/62/45/98/1363624598.db2.gz DWULGQWKTPLJOG-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106369 1363624600 /nfs/dbraw/zinc/62/46/00/1363624600.db2.gz DWULGQWKTPLJOG-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106369 1363624604 /nfs/dbraw/zinc/62/46/04/1363624604.db2.gz DWULGQWKTPLJOG-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099116652 1363633186 /nfs/dbraw/zinc/63/31/86/1363633186.db2.gz UNKVXMYUUSUKHC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116652 1363633190 /nfs/dbraw/zinc/63/31/90/1363633190.db2.gz UNKVXMYUUSUKHC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116652 1363633194 /nfs/dbraw/zinc/63/31/94/1363633194.db2.gz UNKVXMYUUSUKHC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001099121148 1363635836 /nfs/dbraw/zinc/63/58/36/1363635836.db2.gz JEVFEUPYNPLJQZ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001099121148 1363635838 /nfs/dbraw/zinc/63/58/38/1363635838.db2.gz JEVFEUPYNPLJQZ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099121148 1363635839 /nfs/dbraw/zinc/63/58/39/1363635839.db2.gz JEVFEUPYNPLJQZ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099121148 1363635841 /nfs/dbraw/zinc/63/58/41/1363635841.db2.gz JEVFEUPYNPLJQZ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001099334544 1363756526 /nfs/dbraw/zinc/75/65/26/1363756526.db2.gz LVTDIXZOJCNARF-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099334544 1363756529 /nfs/dbraw/zinc/75/65/29/1363756529.db2.gz LVTDIXZOJCNARF-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099334544 1363756530 /nfs/dbraw/zinc/75/65/30/1363756530.db2.gz LVTDIXZOJCNARF-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185213609 1387653061 /nfs/dbraw/zinc/65/30/61/1387653061.db2.gz DQWLHFUSZIGIBV-ROUUACIJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468644 1364125550 /nfs/dbraw/zinc/12/55/50/1364125550.db2.gz IBZLUQGYEDZWHL-UHFFFAOYSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185306352 1387676922 /nfs/dbraw/zinc/67/69/22/1387676922.db2.gz KRQDREJDFQERQB-PKOBYXMFSA-N 2 1 346.519 3.012 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268810 1364492694 /nfs/dbraw/zinc/49/26/94/1364492694.db2.gz XFGBOMIRKYMZPN-NQIIRXRSSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268810 1364492697 /nfs/dbraw/zinc/49/26/97/1364492697.db2.gz XFGBOMIRKYMZPN-NQIIRXRSSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268810 1364492701 /nfs/dbraw/zinc/49/27/01/1364492701.db2.gz XFGBOMIRKYMZPN-NQIIRXRSSA-N 2 1 349.563 3.221 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001101551730 1364614654 /nfs/dbraw/zinc/61/46/54/1364614654.db2.gz ZJBFHTMEAQOMOU-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101575012 1364629126 /nfs/dbraw/zinc/62/91/26/1364629126.db2.gz PEYRWNXBLPZDMN-PKOBYXMFSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001103269519 1365464243 /nfs/dbraw/zinc/46/42/43/1365464243.db2.gz BOXJRLARTSGFKX-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359238 1365517128 /nfs/dbraw/zinc/51/71/28/1365517128.db2.gz QESZKASTXYLLIK-AQNXPRMDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359238 1365517131 /nfs/dbraw/zinc/51/71/31/1365517131.db2.gz QESZKASTXYLLIK-AQNXPRMDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359238 1365517133 /nfs/dbraw/zinc/51/71/33/1365517133.db2.gz QESZKASTXYLLIK-AQNXPRMDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103436447 1365559020 /nfs/dbraw/zinc/55/90/20/1365559020.db2.gz YRNDPNMDCVPLIB-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436447 1365559021 /nfs/dbraw/zinc/55/90/21/1365559021.db2.gz YRNDPNMDCVPLIB-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436447 1365559022 /nfs/dbraw/zinc/55/90/22/1365559022.db2.gz YRNDPNMDCVPLIB-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001103631292 1365690084 /nfs/dbraw/zinc/69/00/84/1365690084.db2.gz GTMRTHSEMYECEZ-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001103631292 1365690087 /nfs/dbraw/zinc/69/00/87/1365690087.db2.gz GTMRTHSEMYECEZ-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001103631292 1365690090 /nfs/dbraw/zinc/69/00/90/1365690090.db2.gz GTMRTHSEMYECEZ-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105574529 1366539345 /nfs/dbraw/zinc/53/93/45/1366539345.db2.gz AHJPETZJBQIFRG-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106256076 1366635292 /nfs/dbraw/zinc/63/52/92/1366635292.db2.gz WRJAICRIHXEORY-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860156 1366818453 /nfs/dbraw/zinc/81/84/53/1366818453.db2.gz LQXFGVSXTJNPOZ-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554590 1367039593 /nfs/dbraw/zinc/03/95/93/1367039593.db2.gz DQEAXQPFBBXJDU-QKNQBKEWSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067711 1387858481 /nfs/dbraw/zinc/85/84/81/1387858481.db2.gz SJQSFMQJFXZUPN-GOSISDBHSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186081909 1387862625 /nfs/dbraw/zinc/86/26/25/1387862625.db2.gz DWNWZLVLHYORCG-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190493246 1367276342 /nfs/dbraw/zinc/27/63/42/1367276342.db2.gz WVFNSEUFGOQQKG-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190493246 1367276347 /nfs/dbraw/zinc/27/63/47/1367276347.db2.gz WVFNSEUFGOQQKG-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190493246 1367276354 /nfs/dbraw/zinc/27/63/54/1367276354.db2.gz WVFNSEUFGOQQKG-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717390 1367291232 /nfs/dbraw/zinc/29/12/32/1367291232.db2.gz ODXVINLZYKHBMC-YRXWBPOGSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001109717390 1367291242 /nfs/dbraw/zinc/29/12/42/1367291242.db2.gz ODXVINLZYKHBMC-YRXWBPOGSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001109717390 1367291243 /nfs/dbraw/zinc/29/12/43/1367291243.db2.gz ODXVINLZYKHBMC-YRXWBPOGSA-N 2 1 335.536 3.163 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773131 1367315022 /nfs/dbraw/zinc/31/50/22/1367315022.db2.gz HEEJQSZZJUMWNG-MHORFTMASA-N 2 1 344.503 3.083 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773131 1367315025 /nfs/dbraw/zinc/31/50/25/1367315025.db2.gz HEEJQSZZJUMWNG-MHORFTMASA-N 2 1 344.503 3.083 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061893 1367414231 /nfs/dbraw/zinc/41/42/31/1367414231.db2.gz NIRHBKLMXVPKRB-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061893 1367414234 /nfs/dbraw/zinc/41/42/34/1367414234.db2.gz NIRHBKLMXVPKRB-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061893 1367414237 /nfs/dbraw/zinc/41/42/37/1367414237.db2.gz NIRHBKLMXVPKRB-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191082193 1367420855 /nfs/dbraw/zinc/42/08/55/1367420855.db2.gz VJHZIJSJFYEQOH-QAPCUYQASA-N 2 1 340.471 3.144 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192905304 1367900903 /nfs/dbraw/zinc/90/09/03/1367900903.db2.gz DOFMUGXFPLCILA-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905304 1367900904 /nfs/dbraw/zinc/90/09/04/1367900904.db2.gz DOFMUGXFPLCILA-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905304 1367900909 /nfs/dbraw/zinc/90/09/09/1367900909.db2.gz DOFMUGXFPLCILA-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193609932 1368073286 /nfs/dbraw/zinc/07/32/86/1368073286.db2.gz JYQDARULIDRBKZ-GOSISDBHSA-N 2 1 325.541 3.221 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193609932 1368073292 /nfs/dbraw/zinc/07/32/92/1368073292.db2.gz JYQDARULIDRBKZ-GOSISDBHSA-N 2 1 325.541 3.221 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193609932 1368073295 /nfs/dbraw/zinc/07/32/95/1368073295.db2.gz JYQDARULIDRBKZ-GOSISDBHSA-N 2 1 325.541 3.221 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194266767 1368219694 /nfs/dbraw/zinc/21/96/94/1368219694.db2.gz ZYAXHTBLCVDVLD-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266767 1368219696 /nfs/dbraw/zinc/21/96/96/1368219696.db2.gz ZYAXHTBLCVDVLD-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266767 1368219700 /nfs/dbraw/zinc/21/97/00/1368219700.db2.gz ZYAXHTBLCVDVLD-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001111463326 1368311561 /nfs/dbraw/zinc/31/15/61/1368311561.db2.gz JXJRORSHLFOFFE-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001111463326 1368311566 /nfs/dbraw/zinc/31/15/66/1368311566.db2.gz JXJRORSHLFOFFE-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001111463326 1368311570 /nfs/dbraw/zinc/31/15/70/1368311570.db2.gz JXJRORSHLFOFFE-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459693 1368312199 /nfs/dbraw/zinc/31/21/99/1368312199.db2.gz FXAHQCUDIOMRLN-AQNXPRMDSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111807877 1368473056 /nfs/dbraw/zinc/47/30/56/1368473056.db2.gz KKVDCEQOLGRLGZ-ICSRJNTNSA-N 2 1 346.519 3.133 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111807877 1368473060 /nfs/dbraw/zinc/47/30/60/1368473060.db2.gz KKVDCEQOLGRLGZ-ICSRJNTNSA-N 2 1 346.519 3.133 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821612 1368482192 /nfs/dbraw/zinc/48/21/92/1368482192.db2.gz ZCJVGFZRKIFYDY-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111836216 1368490712 /nfs/dbraw/zinc/49/07/12/1368490712.db2.gz SRVVUKHAYDMOJV-ZJOUEHCJSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111836216 1368490721 /nfs/dbraw/zinc/49/07/21/1368490721.db2.gz SRVVUKHAYDMOJV-ZJOUEHCJSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111836216 1368490731 /nfs/dbraw/zinc/49/07/31/1368490731.db2.gz SRVVUKHAYDMOJV-ZJOUEHCJSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111836216 1368490732 /nfs/dbraw/zinc/49/07/32/1368490732.db2.gz SRVVUKHAYDMOJV-ZJOUEHCJSA-N 2 1 349.563 3.412 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868895 1368516560 /nfs/dbraw/zinc/51/65/60/1368516560.db2.gz PZHYCZKSSJLPCF-BJLQDIEVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196164282 1368561010 /nfs/dbraw/zinc/56/10/10/1368561010.db2.gz ZMYSZSNANUYUFG-GOSISDBHSA-N 2 1 344.503 3.041 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196164282 1368561016 /nfs/dbraw/zinc/56/10/16/1368561016.db2.gz ZMYSZSNANUYUFG-GOSISDBHSA-N 2 1 344.503 3.041 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196164076 1368561419 /nfs/dbraw/zinc/56/14/19/1368561419.db2.gz XJNZCGFMCXTPOE-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196164076 1368561423 /nfs/dbraw/zinc/56/14/23/1368561423.db2.gz XJNZCGFMCXTPOE-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196164076 1368561427 /nfs/dbraw/zinc/56/14/27/1368561427.db2.gz XJNZCGFMCXTPOE-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196718150 1368669104 /nfs/dbraw/zinc/66/91/04/1368669104.db2.gz RZPNWSTZCPAHHA-UHFFFAOYSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259036 1368992563 /nfs/dbraw/zinc/99/25/63/1368992563.db2.gz JXWZOCDBFZGTOI-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112854966 1369048454 /nfs/dbraw/zinc/04/84/54/1369048454.db2.gz GBEBPTIOAKENPI-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252430 1369293102 /nfs/dbraw/zinc/29/31/02/1369293102.db2.gz OLGGTINXJCMAAD-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001202171964 1369706555 /nfs/dbraw/zinc/70/65/55/1369706555.db2.gz QXORYIXRUWOBNY-ROUUACIJSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001202177960 1369708151 /nfs/dbraw/zinc/70/81/51/1369708151.db2.gz BQVSDXJOBCBIDQ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203649503 1370200641 /nfs/dbraw/zinc/20/06/41/1370200641.db2.gz BKYDFXZSNDEDGX-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791977 1370267321 /nfs/dbraw/zinc/26/73/21/1370267321.db2.gz MMKGHIYWLPIWFW-ZWKOTPCHSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](CCC)CCC ZINC001115111611 1370286082 /nfs/dbraw/zinc/28/60/82/1370286082.db2.gz SSTKRLPVRRYBDS-BNDYYXHWSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611792 1370610859 /nfs/dbraw/zinc/61/08/59/1370610859.db2.gz XEHVZZSOCYNPSL-LJQANCHMSA-N 2 1 349.563 3.482 20 30 EGEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001205273857 1370703033 /nfs/dbraw/zinc/70/30/33/1370703033.db2.gz QHQUBTYKJHQGEH-HXUWFJFHSA-N 2 1 336.439 3.449 20 30 EGEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001205273857 1370703037 /nfs/dbraw/zinc/70/30/37/1370703037.db2.gz QHQUBTYKJHQGEH-HXUWFJFHSA-N 2 1 336.439 3.449 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457798 1370761564 /nfs/dbraw/zinc/76/15/64/1370761564.db2.gz QKRLYKCTWDBEPH-UYAOXDASSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461870 1370762280 /nfs/dbraw/zinc/76/22/80/1370762280.db2.gz QTCQXRABNOAXDG-UYAOXDASSA-N 2 1 349.563 3.432 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC[C@@H]1C[NH3+] ZINC001205618088 1370812956 /nfs/dbraw/zinc/81/29/56/1370812956.db2.gz RGWPVFMRKIXWQD-OXQOHEQNSA-N 2 1 334.467 3.427 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206024880 1370942396 /nfs/dbraw/zinc/94/23/96/1370942396.db2.gz LOGDQSIILOYGQZ-TZMCWYRMSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206602854 1371106314 /nfs/dbraw/zinc/10/63/14/1371106314.db2.gz KPJGMHMWRZNLPA-QGZVFWFLSA-N 2 1 346.519 3.155 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207602189 1371449521 /nfs/dbraw/zinc/44/95/21/1371449521.db2.gz OIPBGHJRGOJRON-CEXWTWQISA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207602189 1371449528 /nfs/dbraw/zinc/44/95/28/1371449528.db2.gz OIPBGHJRGOJRON-CEXWTWQISA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207602189 1371449531 /nfs/dbraw/zinc/44/95/31/1371449531.db2.gz OIPBGHJRGOJRON-CEXWTWQISA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCCC1 ZINC001120207716 1371504400 /nfs/dbraw/zinc/50/44/00/1371504400.db2.gz BYJQLTPELGUZLW-UHFFFAOYSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208441 1371505524 /nfs/dbraw/zinc/50/55/24/1371505524.db2.gz ZQVKJDBEGADNDR-SFHVURJKSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013105 1371567417 /nfs/dbraw/zinc/56/74/17/1371567417.db2.gz AESBJKGUZZNTKQ-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014403 1371568073 /nfs/dbraw/zinc/56/80/73/1371568073.db2.gz QBYXTBXTSMXDEJ-RBUKOAKNSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001120460562 1371584501 /nfs/dbraw/zinc/58/45/01/1371584501.db2.gz QJKDMBMZLIOLAP-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@H]1CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001120733454 1371732636 /nfs/dbraw/zinc/73/26/36/1371732636.db2.gz ODDKTHPJPIAALP-FQEVSTJZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001208575520 1371824932 /nfs/dbraw/zinc/82/49/32/1371824932.db2.gz PWBAOXUWFDTEIG-QRVBRYPASA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121261616 1371912655 /nfs/dbraw/zinc/91/26/55/1371912655.db2.gz YLLYKRGWDHTARW-CGAYHSHTSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001209157479 1372017793 /nfs/dbraw/zinc/01/77/93/1372017793.db2.gz DFKUINLQEYFVKQ-LJQANCHMSA-N 2 1 329.488 3.103 20 30 EGEDMP C=CCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001209157478 1372017945 /nfs/dbraw/zinc/01/79/45/1372017945.db2.gz DFKUINLQEYFVKQ-IBGZPJMESA-N 2 1 329.488 3.103 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628332 1372029941 /nfs/dbraw/zinc/02/99/41/1372029941.db2.gz LQKXLKVZFIEMBS-OZMOLEQWSA-N 2 1 347.547 3.088 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204771 1372037659 /nfs/dbraw/zinc/03/76/59/1372037659.db2.gz LQRDSNMGTRFXQH-PMACEKPBSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930768 1372234102 /nfs/dbraw/zinc/23/41/02/1372234102.db2.gz GGUSSYGBQVEYQD-QZTJIDSGSA-N 2 1 346.519 3.332 20 30 EGEDMP N#Cc1cc(Cl)c(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(Cl)c1 ZINC001210266242 1372310469 /nfs/dbraw/zinc/31/04/69/1372310469.db2.gz IOYGBYPEALCZSJ-UHFFFAOYSA-N 2 1 348.237 3.413 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202024 1375205968 /nfs/dbraw/zinc/20/59/68/1375205968.db2.gz BAOZQTIHDQTZSJ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206237 1375209267 /nfs/dbraw/zinc/20/92/67/1375209267.db2.gz GSMKUDFYVKLQHV-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206237 1375209269 /nfs/dbraw/zinc/20/92/69/1375209269.db2.gz GSMKUDFYVKLQHV-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206237 1375209270 /nfs/dbraw/zinc/20/92/70/1375209270.db2.gz GSMKUDFYVKLQHV-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132425578 1375373534 /nfs/dbraw/zinc/37/35/34/1375373534.db2.gz JJXBIYMYGHCKJW-ROUUACIJSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485494 1375419305 /nfs/dbraw/zinc/41/93/05/1375419305.db2.gz IBQXPXHRKCAYNV-WMZOPIPTSA-N 2 1 334.508 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485494 1375419309 /nfs/dbraw/zinc/41/93/09/1375419309.db2.gz IBQXPXHRKCAYNV-WMZOPIPTSA-N 2 1 334.508 3.131 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791280 1375474479 /nfs/dbraw/zinc/47/44/79/1375474479.db2.gz BKSKZSDQXCNLRT-PXNSSMCTSA-N 2 1 347.547 3.329 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001228039763 1375508645 /nfs/dbraw/zinc/50/86/45/1375508645.db2.gz NEZQUKRDSXTJQI-UHFFFAOYSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001228801521 1375682090 /nfs/dbraw/zinc/68/20/90/1375682090.db2.gz QTJIZGDAETWJFZ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230017000 1375931655 /nfs/dbraw/zinc/93/16/55/1375931655.db2.gz SCZFJBMALJCPCT-FQEVSTJZSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133347357 1375936165 /nfs/dbraw/zinc/93/61/65/1375936165.db2.gz WDSMRRXNKWKLPW-MOPGFXCFSA-N 2 1 337.552 3.147 20 30 EGEDMP C#Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001231656732 1376296784 /nfs/dbraw/zinc/29/67/84/1376296784.db2.gz FWYWBBNHUBJWJT-YADHBBJMSA-N 2 1 331.463 3.017 20 30 EGEDMP C#Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001231656732 1376296799 /nfs/dbraw/zinc/29/67/99/1376296799.db2.gz FWYWBBNHUBJWJT-YADHBBJMSA-N 2 1 331.463 3.017 20 30 EGEDMP C#Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001231656732 1376296806 /nfs/dbraw/zinc/29/68/06/1376296806.db2.gz FWYWBBNHUBJWJT-YADHBBJMSA-N 2 1 331.463 3.017 20 30 EGEDMP C#Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001231656732 1376296812 /nfs/dbraw/zinc/29/68/12/1376296812.db2.gz FWYWBBNHUBJWJT-YADHBBJMSA-N 2 1 331.463 3.017 20 30 EGEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013385 1376382522 /nfs/dbraw/zinc/38/25/22/1376382522.db2.gz MYIWDAIQMHDOTQ-UXHICEINSA-N 2 1 341.455 3.137 20 30 EGEDMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2cc(C#N)ccc21 ZINC001235430042 1376872254 /nfs/dbraw/zinc/87/22/54/1376872254.db2.gz WDVBIXXYYKVLTO-MSOLQXFVSA-N 2 1 336.483 3.262 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691781 1377185527 /nfs/dbraw/zinc/18/55/27/1377185527.db2.gz ZNAOGJVMEGTHJS-JKSUJKDBSA-N 2 1 331.932 3.124 20 30 EGEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001147829041 1379085672 /nfs/dbraw/zinc/08/56/72/1379085672.db2.gz AYEHZJATSXZXKO-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001147829041 1379085677 /nfs/dbraw/zinc/08/56/77/1379085677.db2.gz AYEHZJATSXZXKO-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001147829041 1379085681 /nfs/dbraw/zinc/08/56/81/1379085681.db2.gz AYEHZJATSXZXKO-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001148480707 1379182727 /nfs/dbraw/zinc/18/27/27/1379182727.db2.gz FNPLMLYEUNBODA-UHFFFAOYSA-N 2 1 349.563 3.223 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158065048 1381118136 /nfs/dbraw/zinc/11/81/36/1381118136.db2.gz BPDZOZICYUYCDQ-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158065048 1381118140 /nfs/dbraw/zinc/11/81/40/1381118140.db2.gz BPDZOZICYUYCDQ-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158065048 1381118145 /nfs/dbraw/zinc/11/81/45/1381118145.db2.gz BPDZOZICYUYCDQ-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480567 1381261133 /nfs/dbraw/zinc/26/11/33/1381261133.db2.gz OFDORUONAFWJMH-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480567 1381261142 /nfs/dbraw/zinc/26/11/42/1381261142.db2.gz OFDORUONAFWJMH-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480567 1381261149 /nfs/dbraw/zinc/26/11/49/1381261149.db2.gz OFDORUONAFWJMH-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158490959 1381266174 /nfs/dbraw/zinc/26/61/74/1381266174.db2.gz AVCYWQVNSBXJSH-MOPGFXCFSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360246 1382082110 /nfs/dbraw/zinc/08/21/10/1382082110.db2.gz MGFPGSFSIMDMML-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360246 1382082117 /nfs/dbraw/zinc/08/21/17/1382082117.db2.gz MGFPGSFSIMDMML-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360246 1382082128 /nfs/dbraw/zinc/08/21/28/1382082128.db2.gz MGFPGSFSIMDMML-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400457 1382094001 /nfs/dbraw/zinc/09/40/01/1382094001.db2.gz RLALXRRWLFJIDU-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400457 1382094002 /nfs/dbraw/zinc/09/40/02/1382094002.db2.gz RLALXRRWLFJIDU-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400457 1382094008 /nfs/dbraw/zinc/09/40/08/1382094008.db2.gz RLALXRRWLFJIDU-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219685 1382346738 /nfs/dbraw/zinc/34/67/38/1382346738.db2.gz KTRZBGONODJGBT-GOSISDBHSA-N 2 1 349.563 3.457 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161219685 1382346742 /nfs/dbraw/zinc/34/67/42/1382346742.db2.gz KTRZBGONODJGBT-GOSISDBHSA-N 2 1 349.563 3.457 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001161219685 1382346748 /nfs/dbraw/zinc/34/67/48/1382346748.db2.gz KTRZBGONODJGBT-GOSISDBHSA-N 2 1 349.563 3.457 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491094 1382420900 /nfs/dbraw/zinc/42/09/00/1382420900.db2.gz FYCGLEIYSOATOL-LJQANCHMSA-N 2 1 335.536 3.067 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161492540 1382421403 /nfs/dbraw/zinc/42/14/03/1382421403.db2.gz ZJGUWQPEASJHKY-FQEVSTJZSA-N 2 1 349.563 3.457 20 30 EGEDMP CC(Nc1c[nH]c2ncnc(Cl)c12)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163466606 1383057971 /nfs/dbraw/zinc/05/79/71/1383057971.db2.gz TXZWQBOSTZNNQR-UHFFFAOYSA-N 2 1 328.807 3.052 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793462 1383478074 /nfs/dbraw/zinc/47/80/74/1383478074.db2.gz PMESWQGFHDGXCR-RBUKOAKNSA-N 2 1 349.563 3.339 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236247 1383571562 /nfs/dbraw/zinc/57/15/62/1383571562.db2.gz IQOSYNZPEIXETO-ROUUACIJSA-N 2 1 337.552 3.031 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385636 1383619005 /nfs/dbraw/zinc/61/90/05/1383619005.db2.gz LQDYHXCUKUQNQO-RTBURBONSA-N 2 1 349.563 3.480 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001167470877 1383642539 /nfs/dbraw/zinc/64/25/39/1383642539.db2.gz GYZSIUOQLZANIB-UHFFFAOYSA-N 2 1 337.552 3.341 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCCNc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001167754368 1383731519 /nfs/dbraw/zinc/73/15/19/1383731519.db2.gz XBKOSEBHVRORKN-PZBNQXIHSA-N 2 1 327.476 3.456 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171248674 1384478141 /nfs/dbraw/zinc/47/81/41/1384478141.db2.gz XRJLZDSPLGBBFI-IEBWSBKVSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171585662 1384572268 /nfs/dbraw/zinc/57/22/68/1384572268.db2.gz ADFATMSXYDTUPD-IRXDYDNUSA-N 2 1 325.541 3.336 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172116978 1384732429 /nfs/dbraw/zinc/73/24/29/1384732429.db2.gz HSTKPTRSHSLXHQ-XIYVOTBMSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116978 1384732430 /nfs/dbraw/zinc/73/24/30/1384732430.db2.gz HSTKPTRSHSLXHQ-XIYVOTBMSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116978 1384732434 /nfs/dbraw/zinc/73/24/34/1384732434.db2.gz HSTKPTRSHSLXHQ-XIYVOTBMSA-N 2 1 348.531 3.075 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172294304 1384761875 /nfs/dbraw/zinc/76/18/75/1384761875.db2.gz HQSJVONSOPWIJB-GOSISDBHSA-N 2 1 349.478 3.111 20 30 EGEDMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)CCCC#N)CC2)c1 ZINC001172509715 1384807446 /nfs/dbraw/zinc/80/74/46/1384807446.db2.gz OPNMNNQXHKHQNU-INIZCTEOSA-N 2 1 343.471 3.110 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174880823 1385164160 /nfs/dbraw/zinc/16/41/60/1385164160.db2.gz HRPJJHIDKXXWDF-IAGOWNOFSA-N 2 1 343.943 3.126 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001177266443 1385889689 /nfs/dbraw/zinc/88/96/89/1385889689.db2.gz HNNNYQVKUJUBTA-QUCCMNQESA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177416129 1385949466 /nfs/dbraw/zinc/94/94/66/1385949466.db2.gz VGJIYLUXRCINNW-ICSRJNTNSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484579 1386232014 /nfs/dbraw/zinc/23/20/14/1386232014.db2.gz VJTKBRJNUYBLLD-RTBURBONSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527511 1386241850 /nfs/dbraw/zinc/24/18/50/1386241850.db2.gz NTCLXVMLOKMJEN-CEXWTWQISA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178833311 1386322410 /nfs/dbraw/zinc/32/24/10/1386322410.db2.gz SBOMFSUFFATWPY-LJQANCHMSA-N 2 1 337.552 3.483 20 30 EGEDMP CCCCCCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179026140 1386380437 /nfs/dbraw/zinc/38/04/37/1386380437.db2.gz NWYZIGSKEWXNLV-UHFFFAOYSA-N 2 1 336.524 3.428 20 30 EGEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179362130 1386464162 /nfs/dbraw/zinc/46/41/62/1386464162.db2.gz YBTCMRUSYIRSOW-FQEVSTJZSA-N 2 1 347.547 3.073 20 30 EGEDMP CCCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179590288 1386525309 /nfs/dbraw/zinc/52/53/09/1386525309.db2.gz GRPNEJYVCKXBFP-RTBURBONSA-N 2 1 339.568 3.421 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792449 1386587310 /nfs/dbraw/zinc/58/73/10/1386587310.db2.gz NMMOCEXFUGWVGG-OALUTQOASA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614636 1387197317 /nfs/dbraw/zinc/19/73/17/1387197317.db2.gz LRHOINHQOVNPND-SVFBPWRDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182774911 1387222688 /nfs/dbraw/zinc/22/26/88/1387222688.db2.gz ASXNDSFWRFPXQB-YLJYHZDGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001698714773 1406357317 /nfs/dbraw/zinc/35/73/17/1406357317.db2.gz MHRLSNZWYQWDDK-KZNAEPCWSA-N 2 1 349.906 3.059 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001690135873 1404332940 /nfs/dbraw/zinc/33/29/40/1404332940.db2.gz WNZCFPOZWBQQLK-IEBWSBKVSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752524342 1440192682 /nfs/dbraw/zinc/19/26/82/1440192682.db2.gz DXOFJXUARCRSTR-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752801392 1440215014 /nfs/dbraw/zinc/21/50/14/1440215014.db2.gz LRGDAVPZTNLPMX-RBUKOAKNSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001752821104 1440220541 /nfs/dbraw/zinc/22/05/41/1440220541.db2.gz VZHVUCKRWGDTSL-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001752821104 1440220542 /nfs/dbraw/zinc/22/05/42/1440220542.db2.gz VZHVUCKRWGDTSL-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001752821104 1440220543 /nfs/dbraw/zinc/22/05/43/1440220543.db2.gz VZHVUCKRWGDTSL-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752841759 1440230848 /nfs/dbraw/zinc/23/08/48/1440230848.db2.gz UHVUUIKEDVHGIR-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001752995667 1440261850 /nfs/dbraw/zinc/26/18/50/1440261850.db2.gz ZDMQSMLCOLWWHZ-UFYCRDLUSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995667 1440261851 /nfs/dbraw/zinc/26/18/51/1440261851.db2.gz ZDMQSMLCOLWWHZ-UFYCRDLUSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995667 1440261852 /nfs/dbraw/zinc/26/18/52/1440261852.db2.gz ZDMQSMLCOLWWHZ-UFYCRDLUSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001753157671 1440331813 /nfs/dbraw/zinc/33/18/13/1440331813.db2.gz SPWMFVNAIIGJEA-HNNXBMFYSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001753294747 1440351757 /nfs/dbraw/zinc/35/17/57/1440351757.db2.gz UKXYBXQEIKNFRP-UXHICEINSA-N 2 1 343.515 3.227 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753445101 1440403363 /nfs/dbraw/zinc/40/33/63/1440403363.db2.gz FVCRCFUGGAVPTM-PXNSSMCTSA-N 2 1 343.515 3.249 20 30 EGEDMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753472791 1440414391 /nfs/dbraw/zinc/41/43/91/1440414391.db2.gz BGJTVHCNRRSPDU-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001754674971 1440659495 /nfs/dbraw/zinc/65/94/95/1440659495.db2.gz GZHZVSUHPWBQQF-FOIQADDNSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001754946726 1440713553 /nfs/dbraw/zinc/71/35/53/1440713553.db2.gz URUQBQXECANRHC-HXUWFJFHSA-N 2 1 343.515 3.043 20 30 EGEDMP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001754946726 1440713554 /nfs/dbraw/zinc/71/35/54/1440713554.db2.gz URUQBQXECANRHC-HXUWFJFHSA-N 2 1 343.515 3.043 20 30 EGEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001754946726 1440713555 /nfs/dbraw/zinc/71/35/55/1440713555.db2.gz URUQBQXECANRHC-HXUWFJFHSA-N 2 1 343.515 3.043 20 30 EGEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001755896458 1440942700 /nfs/dbraw/zinc/94/27/00/1440942700.db2.gz RYKTWMCLQZDFLJ-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755896458 1440942701 /nfs/dbraw/zinc/94/27/01/1440942701.db2.gz RYKTWMCLQZDFLJ-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755896458 1440942702 /nfs/dbraw/zinc/94/27/02/1440942702.db2.gz RYKTWMCLQZDFLJ-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C#N ZINC000174346441 533671517 /nfs/dbraw/zinc/67/15/17/533671517.db2.gz DOVPVGSTKIVLOK-HXUWFJFHSA-N 2 1 349.478 3.221 20 30 EGEDMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1C#N ZINC000191312541 153186136 /nfs/dbraw/zinc/18/61/36/153186136.db2.gz HPVMSQJWAFGZAT-UHFFFAOYSA-N 2 1 336.483 3.241 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000189993927 455268435 /nfs/dbraw/zinc/26/84/35/455268435.db2.gz BNXPTCQAMLBEGO-DNVCBOLYSA-N 2 1 349.906 3.438 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000190002423 455270723 /nfs/dbraw/zinc/27/07/23/455270723.db2.gz YHSIBCJUXBKJSW-XLIONFOSSA-N 2 1 329.488 3.093 20 30 EGEDMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@H](C)C#N ZINC000245545662 455326886 /nfs/dbraw/zinc/32/68/86/455326886.db2.gz UGYYASXDDLBQHO-QGZVFWFLSA-N 2 1 328.504 3.199 20 30 EGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043394 454508728 /nfs/dbraw/zinc/50/87/28/454508728.db2.gz IRMVUJKGOFSADI-MSOLQXFVSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043394 454508731 /nfs/dbraw/zinc/50/87/31/454508731.db2.gz IRMVUJKGOFSADI-MSOLQXFVSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043394 454508734 /nfs/dbraw/zinc/50/87/34/454508734.db2.gz IRMVUJKGOFSADI-MSOLQXFVSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043394 454508738 /nfs/dbraw/zinc/50/87/38/454508738.db2.gz IRMVUJKGOFSADI-MSOLQXFVSA-N 2 1 330.472 3.176 20 30 EGEDMP Cc1nccn1CCCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000179040213 455001460 /nfs/dbraw/zinc/00/14/60/455001460.db2.gz PVWVVNQFKDQSAL-UHFFFAOYSA-N 2 1 337.471 3.056 20 30 EGEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000179040213 455001462 /nfs/dbraw/zinc/00/14/62/455001462.db2.gz PVWVVNQFKDQSAL-UHFFFAOYSA-N 2 1 337.471 3.056 20 30 EGEDMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000179040213 455001465 /nfs/dbraw/zinc/00/14/65/455001465.db2.gz PVWVVNQFKDQSAL-UHFFFAOYSA-N 2 1 337.471 3.056 20 30 EGEDMP CN(Cc1ccc(C#N)cc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000181119243 455290932 /nfs/dbraw/zinc/29/09/32/455290932.db2.gz SCXQFHHSLLLGMH-AWEZNQCLSA-N 2 1 336.277 3.094 20 30 EGEDMP C[C@H](c1ccc(C#N)cc1)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246287669 455464861 /nfs/dbraw/zinc/46/48/61/455464861.db2.gz CTVONOVVEXVGIE-CEXWTWQISA-N 2 1 340.515 3.110 20 30 EGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246287669 455464865 /nfs/dbraw/zinc/46/48/65/455464865.db2.gz CTVONOVVEXVGIE-CEXWTWQISA-N 2 1 340.515 3.110 20 30 EGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246287669 455464871 /nfs/dbraw/zinc/46/48/71/455464871.db2.gz CTVONOVVEXVGIE-CEXWTWQISA-N 2 1 340.515 3.110 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)c2)CCO1 ZINC000248855903 455734243 /nfs/dbraw/zinc/73/42/43/455734243.db2.gz PHJDQHIGWRDRNY-UWVAXJGDSA-N 2 1 327.472 3.079 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)c2)CCO1 ZINC000248855903 455734246 /nfs/dbraw/zinc/73/42/46/455734246.db2.gz PHJDQHIGWRDRNY-UWVAXJGDSA-N 2 1 327.472 3.079 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280892279 456072997 /nfs/dbraw/zinc/07/29/97/456072997.db2.gz QGTVXBZVVLYPSD-NRDMVMEKSA-N 2 1 328.500 3.468 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc(OC)c1O ZINC000290637491 456391548 /nfs/dbraw/zinc/39/15/48/456391548.db2.gz YIGHCNVVXLZBIU-QZTJIDSGSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(OC)c1O ZINC000290637491 456391552 /nfs/dbraw/zinc/39/15/52/456391552.db2.gz YIGHCNVVXLZBIU-QZTJIDSGSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc(OC)c1O ZINC000290637491 456391558 /nfs/dbraw/zinc/39/15/58/456391558.db2.gz YIGHCNVVXLZBIU-QZTJIDSGSA-N 2 1 330.472 3.045 20 30 EGEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000354176004 457111087 /nfs/dbraw/zinc/11/10/87/457111087.db2.gz ICTNASQYTVZIME-HXUWFJFHSA-N 2 1 327.472 3.287 20 30 EGEDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000354176004 457111090 /nfs/dbraw/zinc/11/10/90/457111090.db2.gz ICTNASQYTVZIME-HXUWFJFHSA-N 2 1 327.472 3.287 20 30 EGEDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000354176004 457111093 /nfs/dbraw/zinc/11/10/93/457111093.db2.gz ICTNASQYTVZIME-HXUWFJFHSA-N 2 1 327.472 3.287 20 30 EGEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000354176004 457111097 /nfs/dbraw/zinc/11/10/97/457111097.db2.gz ICTNASQYTVZIME-HXUWFJFHSA-N 2 1 327.472 3.287 20 30 EGEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000351424544 457285665 /nfs/dbraw/zinc/28/56/65/457285665.db2.gz WJBXMVOYNHGYPZ-SFTDATJTSA-N 2 1 328.500 3.302 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351424544 457285669 /nfs/dbraw/zinc/28/56/69/457285669.db2.gz WJBXMVOYNHGYPZ-SFTDATJTSA-N 2 1 328.500 3.302 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351424544 457285672 /nfs/dbraw/zinc/28/56/72/457285672.db2.gz WJBXMVOYNHGYPZ-SFTDATJTSA-N 2 1 328.500 3.302 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000459727760 458459020 /nfs/dbraw/zinc/45/90/20/458459020.db2.gz HIVICWQCSHUHSO-QGZVFWFLSA-N 2 1 332.488 3.472 20 30 EGEDMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000441035448 458878158 /nfs/dbraw/zinc/87/81/58/458878158.db2.gz DAYVCXXNFKMWOK-GOSISDBHSA-N 2 1 340.515 3.110 20 30 EGEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)cs1 ZINC000442788645 459036089 /nfs/dbraw/zinc/03/60/89/459036089.db2.gz YECUTGPKFRJXJU-HZPDHXFCSA-N 2 1 332.517 3.199 20 30 EGEDMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000558507830 459168440 /nfs/dbraw/zinc/16/84/40/459168440.db2.gz JOAWUGJDNBYQED-KRWDZBQOSA-N 2 1 328.504 3.237 20 30 EGEDMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000558507830 459168446 /nfs/dbraw/zinc/16/84/46/459168446.db2.gz JOAWUGJDNBYQED-KRWDZBQOSA-N 2 1 328.504 3.237 20 30 EGEDMP Cc1cc(N2CCC([NH2+][C@H]3CCc4ccc(C#N)cc43)CC2)nc(C)[nH+]1 ZINC000582455795 459368006 /nfs/dbraw/zinc/36/80/06/459368006.db2.gz MFVIRFYMBDRSFP-FQEVSTJZSA-N 2 1 347.466 3.211 20 30 EGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCSCC#N)C2)s1 ZINC000565050346 459780691 /nfs/dbraw/zinc/78/06/91/459780691.db2.gz AEVJCEYGDRAWMN-INIZCTEOSA-N 2 1 337.558 3.457 20 30 EGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCSCC#N)C2)s1 ZINC000565050346 459780683 /nfs/dbraw/zinc/78/06/83/459780683.db2.gz AEVJCEYGDRAWMN-INIZCTEOSA-N 2 1 337.558 3.457 20 30 EGEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCSCC#N)C2)s1 ZINC000565050346 459780686 /nfs/dbraw/zinc/78/06/86/459780686.db2.gz AEVJCEYGDRAWMN-INIZCTEOSA-N 2 1 337.558 3.457 20 30 EGEDMP CN(c1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1)C1CC[NH+](C)CC1 ZINC000597172704 459861460 /nfs/dbraw/zinc/86/14/60/459861460.db2.gz DCENOOYZDGADNH-SFHVURJKSA-N 2 1 340.515 3.343 20 30 EGEDMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1)CC1CC1 ZINC000598601989 459961388 /nfs/dbraw/zinc/96/13/88/459961388.db2.gz YNHVAXGAYFZXNC-IBGZPJMESA-N 2 1 335.536 3.121 20 30 EGEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000602578099 460005923 /nfs/dbraw/zinc/00/59/23/460005923.db2.gz YYKHBJARVBYXLC-PKOBYXMFSA-N 2 1 334.467 3.344 20 30 EGEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000602578097 460006374 /nfs/dbraw/zinc/00/63/74/460006374.db2.gz YYKHBJARVBYXLC-IEBWSBKVSA-N 2 1 334.467 3.344 20 30 EGEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598721549 460006843 /nfs/dbraw/zinc/00/68/43/460006843.db2.gz VJLQNVOGWGVXPB-QFBILLFUSA-N 2 1 329.488 3.102 20 30 EGEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000602611153 460021022 /nfs/dbraw/zinc/02/10/22/460021022.db2.gz WQHTYHLRMZZKSQ-BVYCBKJFSA-N 2 1 346.478 3.344 20 30 EGEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000602611153 460021027 /nfs/dbraw/zinc/02/10/27/460021027.db2.gz WQHTYHLRMZZKSQ-BVYCBKJFSA-N 2 1 346.478 3.344 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602652130 460045837 /nfs/dbraw/zinc/04/58/37/460045837.db2.gz WIFXPKIVIMTXGW-QUCCMNQESA-N 2 1 341.499 3.197 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000576271832 460105018 /nfs/dbraw/zinc/10/50/18/460105018.db2.gz KPUPPSDQJBCRHO-UHFFFAOYSA-N 2 1 333.451 3.093 20 30 EGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1ccc(C#N)cc1 ZINC000603110000 460244270 /nfs/dbraw/zinc/24/42/70/460244270.db2.gz IWMGTKGPJXQXPC-UHFFFAOYSA-N 2 1 342.487 3.085 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000623361760 460510908 /nfs/dbraw/zinc/51/09/08/460510908.db2.gz NWWTZBQMXZOSJV-AWEZNQCLSA-N 2 1 338.879 3.345 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1OC ZINC000623361760 460510913 /nfs/dbraw/zinc/51/09/13/460510913.db2.gz NWWTZBQMXZOSJV-AWEZNQCLSA-N 2 1 338.879 3.345 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1O ZINC000647543738 461759571 /nfs/dbraw/zinc/75/95/71/461759571.db2.gz ROEPYIKEMAEVGK-OALUTQOASA-N 2 1 344.499 3.341 20 30 EGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000187662735 534081393 /nfs/dbraw/zinc/08/13/93/534081393.db2.gz GHKDFXYECMZJHY-KSZLIROESA-N 2 1 341.499 3.440 20 30 EGEDMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000155623450 1294107275 /nfs/dbraw/zinc/10/72/75/1294107275.db2.gz LDJYWPSDXZRENK-FQEVSTJZSA-N 2 1 329.488 3.036 20 30 EGEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000178583298 1294745054 /nfs/dbraw/zinc/74/50/54/1294745054.db2.gz BDPMJALGKCLTBG-UHFFFAOYSA-N 2 1 349.438 3.233 20 30 EGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000178583298 1294745064 /nfs/dbraw/zinc/74/50/64/1294745064.db2.gz BDPMJALGKCLTBG-UHFFFAOYSA-N 2 1 349.438 3.233 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000246939201 1296376372 /nfs/dbraw/zinc/37/63/72/1296376372.db2.gz LJUPDALMYXSJFA-FXAWDEMLSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000246939201 1296376388 /nfs/dbraw/zinc/37/63/88/1296376388.db2.gz LJUPDALMYXSJFA-FXAWDEMLSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000246939201 1296376399 /nfs/dbraw/zinc/37/63/99/1296376399.db2.gz LJUPDALMYXSJFA-FXAWDEMLSA-N 2 1 344.499 3.436 20 30 EGEDMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305704653 1297027607 /nfs/dbraw/zinc/02/76/07/1297027607.db2.gz VMNCZBUWMFVTNE-BBRMVZONSA-N 2 1 340.874 3.176 20 30 EGEDMP C[C@@]1(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311840348 1297110845 /nfs/dbraw/zinc/11/08/45/1297110845.db2.gz UFHUUMGMUXKREG-YADHBBJMSA-N 2 1 349.478 3.093 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000328253404 1297255949 /nfs/dbraw/zinc/25/59/49/1297255949.db2.gz JQKXZZYWTNDYEH-LBPRGKRZSA-N 2 1 327.241 3.194 20 30 EGEDMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877660668 1299461660 /nfs/dbraw/zinc/46/16/60/1299461660.db2.gz QDIQMFNQCAHCPE-SVFBPWRDSA-N 2 1 326.484 3.373 20 30 EGEDMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877660668 1299461662 /nfs/dbraw/zinc/46/16/62/1299461662.db2.gz QDIQMFNQCAHCPE-SVFBPWRDSA-N 2 1 326.484 3.373 20 30 EGEDMP C#CCCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769514303 1303132960 /nfs/dbraw/zinc/13/29/60/1303132960.db2.gz IYBXKBPMZWOQDA-HXUWFJFHSA-N 2 1 326.484 3.252 20 30 EGEDMP C#CCCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000769514303 1303132966 /nfs/dbraw/zinc/13/29/66/1303132966.db2.gz IYBXKBPMZWOQDA-HXUWFJFHSA-N 2 1 326.484 3.252 20 30 EGEDMP C#CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769514303 1303132970 /nfs/dbraw/zinc/13/29/70/1303132970.db2.gz IYBXKBPMZWOQDA-HXUWFJFHSA-N 2 1 326.484 3.252 20 30 EGEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769514303 1303132974 /nfs/dbraw/zinc/13/29/74/1303132974.db2.gz IYBXKBPMZWOQDA-HXUWFJFHSA-N 2 1 326.484 3.252 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])ccc1OC ZINC000817917386 1319460664 /nfs/dbraw/zinc/46/06/64/1319460664.db2.gz FJKMUGQWGMUIRP-ZACQAIPSSA-N 2 1 331.460 3.126 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695616 1319818775 /nfs/dbraw/zinc/81/87/75/1319818775.db2.gz COOZPYMZVWICML-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023695616 1319818785 /nfs/dbraw/zinc/81/87/85/1319818785.db2.gz COOZPYMZVWICML-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023695616 1319818806 /nfs/dbraw/zinc/81/88/06/1319818806.db2.gz COOZPYMZVWICML-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001023770080 1319920830 /nfs/dbraw/zinc/92/08/30/1319920830.db2.gz OZAAHIHEVIECHU-KRWDZBQOSA-N 2 1 347.503 3.139 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849062414 1322063540 /nfs/dbraw/zinc/06/35/40/1322063540.db2.gz HBZWXDLDTPUHKM-HDICACEKSA-N 2 1 330.520 3.062 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924983979 1323236272 /nfs/dbraw/zinc/23/62/72/1323236272.db2.gz KYLZEIPUQVHLKL-FOIQADDNSA-N 2 1 347.478 3.022 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475307 1324320158 /nfs/dbraw/zinc/32/01/58/1324320158.db2.gz SPGXZKBHAZBWSR-SJLPKXTDSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001026299573 1324711568 /nfs/dbraw/zinc/71/15/68/1324711568.db2.gz WREWUNBWPFFRIN-YTQUADARSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692348 1328096500 /nfs/dbraw/zinc/09/65/00/1328096500.db2.gz GPLOXHRNYIDGDK-GOSISDBHSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692348 1328096511 /nfs/dbraw/zinc/09/65/11/1328096511.db2.gz GPLOXHRNYIDGDK-GOSISDBHSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801395 1333265650 /nfs/dbraw/zinc/26/56/50/1333265650.db2.gz MVYXXIMNDQVGQA-QAPCUYQASA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801395 1333265652 /nfs/dbraw/zinc/26/56/52/1333265652.db2.gz MVYXXIMNDQVGQA-QAPCUYQASA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621961 1333600260 /nfs/dbraw/zinc/60/02/60/1333600260.db2.gz YUROWHPFPCVYDR-SFHVURJKSA-N 2 1 340.471 3.227 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156520 1336165633 /nfs/dbraw/zinc/16/56/33/1336165633.db2.gz VOWFFNXRANXYIE-IBGZPJMESA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969681920 1336236538 /nfs/dbraw/zinc/23/65/38/1336236538.db2.gz SBMNAQJBNALRPZ-MSOLQXFVSA-N 2 1 347.547 3.044 20 30 EGEDMP C[C@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)CC[C@@H]1C[NH3+] ZINC001205627679 1370817763 /nfs/dbraw/zinc/81/77/63/1370817763.db2.gz RPYGFDCGERHOJV-QWHCGFSZSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)CC[C@@H]1C[NH3+] ZINC001205627679 1370817768 /nfs/dbraw/zinc/81/77/68/1370817768.db2.gz RPYGFDCGERHOJV-QWHCGFSZSA-N 2 1 336.277 3.128 20 30 EGEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001006445202 1336507581 /nfs/dbraw/zinc/50/75/81/1336507581.db2.gz ZTZBMSJBTGIYKM-UHFFFAOYSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001017618646 1339377944 /nfs/dbraw/zinc/37/79/44/1339377944.db2.gz TXJFPLRKCHTTMZ-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618646 1339377949 /nfs/dbraw/zinc/37/79/49/1339377949.db2.gz TXJFPLRKCHTTMZ-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001017618646 1339377951 /nfs/dbraw/zinc/37/79/51/1339377951.db2.gz TXJFPLRKCHTTMZ-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343766 1340583715 /nfs/dbraw/zinc/58/37/15/1340583715.db2.gz RIFSSNHGMJGHPD-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877839 1342055328 /nfs/dbraw/zinc/05/53/28/1342055328.db2.gz HEWRHTODXJQKLB-GOSISDBHSA-N 2 1 340.471 3.145 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039397902 1345045900 /nfs/dbraw/zinc/04/59/00/1345045900.db2.gz GHLQERZZNQFDLA-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397902 1345045904 /nfs/dbraw/zinc/04/59/04/1345045904.db2.gz GHLQERZZNQFDLA-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397902 1345045907 /nfs/dbraw/zinc/04/59/07/1345045907.db2.gz GHLQERZZNQFDLA-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040489320 1345516454 /nfs/dbraw/zinc/51/64/54/1345516454.db2.gz OHJBUZBCVJXVGL-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040489320 1345516457 /nfs/dbraw/zinc/51/64/57/1345516457.db2.gz OHJBUZBCVJXVGL-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040489320 1345516459 /nfs/dbraw/zinc/51/64/59/1345516459.db2.gz OHJBUZBCVJXVGL-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572436 1347599244 /nfs/dbraw/zinc/59/92/44/1347599244.db2.gz HXRWIWPICMCVPC-IYWMVGAKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572436 1347599246 /nfs/dbraw/zinc/59/92/46/1347599246.db2.gz HXRWIWPICMCVPC-IYWMVGAKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048590599 1347610042 /nfs/dbraw/zinc/61/00/42/1347610042.db2.gz QGVQLYDQHCGXRE-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590599 1347610043 /nfs/dbraw/zinc/61/00/43/1347610043.db2.gz QGVQLYDQHCGXRE-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590599 1347610046 /nfs/dbraw/zinc/61/00/46/1347610046.db2.gz QGVQLYDQHCGXRE-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049514211 1347886309 /nfs/dbraw/zinc/88/63/09/1347886309.db2.gz YZPUEJQUBKXQSR-DLBZAZTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049514211 1347886314 /nfs/dbraw/zinc/88/63/14/1347886314.db2.gz YZPUEJQUBKXQSR-DLBZAZTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761490 1348006413 /nfs/dbraw/zinc/00/64/13/1348006413.db2.gz KUUBZSYTAZKYCA-ZWKOTPCHSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761490 1348006417 /nfs/dbraw/zinc/00/64/17/1348006417.db2.gz KUUBZSYTAZKYCA-ZWKOTPCHSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099490 1355129207 /nfs/dbraw/zinc/12/92/07/1355129207.db2.gz RKMPXUHXRFYODN-PKOBYXMFSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081027233 1357786040 /nfs/dbraw/zinc/78/60/40/1357786040.db2.gz DYGNIQPVFZGHSO-SJLPKXTDSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696821 1359596493 /nfs/dbraw/zinc/59/64/93/1359596493.db2.gz OOAIWUXMVFYKHH-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696821 1359596495 /nfs/dbraw/zinc/59/64/95/1359596495.db2.gz OOAIWUXMVFYKHH-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696821 1359596497 /nfs/dbraw/zinc/59/64/97/1359596497.db2.gz OOAIWUXMVFYKHH-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426143 1360418927 /nfs/dbraw/zinc/41/89/27/1360418927.db2.gz HCVRLJLBQQRUCJ-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426143 1360418930 /nfs/dbraw/zinc/41/89/30/1360418930.db2.gz HCVRLJLBQQRUCJ-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426143 1360418933 /nfs/dbraw/zinc/41/89/33/1360418933.db2.gz HCVRLJLBQQRUCJ-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089431113 1360422698 /nfs/dbraw/zinc/42/26/98/1360422698.db2.gz ZIQUMLIEEJAHCY-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565677 1360512047 /nfs/dbraw/zinc/51/20/47/1360512047.db2.gz WJZNOVMBAGVIKG-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565677 1360512050 /nfs/dbraw/zinc/51/20/50/1360512050.db2.gz WJZNOVMBAGVIKG-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565677 1360512051 /nfs/dbraw/zinc/51/20/51/1360512051.db2.gz WJZNOVMBAGVIKG-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099116712 1363632714 /nfs/dbraw/zinc/63/27/14/1363632714.db2.gz UXTMBERZDWXWMN-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116712 1363632717 /nfs/dbraw/zinc/63/27/17/1363632717.db2.gz UXTMBERZDWXWMN-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116712 1363632718 /nfs/dbraw/zinc/63/27/18/1363632718.db2.gz UXTMBERZDWXWMN-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257090 1363717093 /nfs/dbraw/zinc/71/70/93/1363717093.db2.gz AIYXNWFUAGTVKX-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257090 1363717094 /nfs/dbraw/zinc/71/70/94/1363717094.db2.gz AIYXNWFUAGTVKX-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099271810 1363726565 /nfs/dbraw/zinc/72/65/65/1363726565.db2.gz ZXDRGJBLVAKOCE-SFHVURJKSA-N 2 1 346.519 3.155 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099271810 1363726567 /nfs/dbraw/zinc/72/65/67/1363726567.db2.gz ZXDRGJBLVAKOCE-SFHVURJKSA-N 2 1 346.519 3.155 20 30 EGEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321015 1363748590 /nfs/dbraw/zinc/74/85/90/1363748590.db2.gz NZRGHVNPVULOAO-MRXNPFEDSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321015 1363748595 /nfs/dbraw/zinc/74/85/95/1363748595.db2.gz NZRGHVNPVULOAO-MRXNPFEDSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001099321015 1363748584 /nfs/dbraw/zinc/74/85/84/1363748584.db2.gz NZRGHVNPVULOAO-MRXNPFEDSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321015 1363748588 /nfs/dbraw/zinc/74/85/88/1363748588.db2.gz NZRGHVNPVULOAO-MRXNPFEDSA-N 2 1 343.943 3.078 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340134 1363759418 /nfs/dbraw/zinc/75/94/18/1363759418.db2.gz PGKFKQAYRKLPRV-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185234688 1387657784 /nfs/dbraw/zinc/65/77/84/1387657784.db2.gz IRALXTCBTLYCBX-ROUUACIJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100602190 1364184500 /nfs/dbraw/zinc/18/45/00/1364184500.db2.gz XLBUERUCTKJVQY-QLOJAFMTSA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101277792 1364496149 /nfs/dbraw/zinc/49/61/49/1364496149.db2.gz YTQSTJCETGDTEV-GGPKGHCWSA-N 2 1 337.552 3.077 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001101574799 1364628966 /nfs/dbraw/zinc/62/89/66/1364628966.db2.gz DLJKJRNUDVDFLE-SFHVURJKSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101575175 1364629103 /nfs/dbraw/zinc/62/91/03/1364629103.db2.gz XGOBHXPAULYCCJ-MJGOQNOKSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472250 1365073545 /nfs/dbraw/zinc/07/35/45/1365073545.db2.gz QVBAAOAKLKEKNJ-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472250 1365073551 /nfs/dbraw/zinc/07/35/51/1365073551.db2.gz QVBAAOAKLKEKNJ-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472250 1365073553 /nfs/dbraw/zinc/07/35/53/1365073553.db2.gz QVBAAOAKLKEKNJ-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185448601 1387719585 /nfs/dbraw/zinc/71/95/85/1387719585.db2.gz YPEUVTZNCVGUMP-MOPGFXCFSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271277 1365465626 /nfs/dbraw/zinc/46/56/26/1365465626.db2.gz HJYGTGVCGJQBQD-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001103631687 1365690010 /nfs/dbraw/zinc/69/00/10/1365690010.db2.gz YOVYQGGCNWNLJP-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001103631687 1365690012 /nfs/dbraw/zinc/69/00/12/1365690012.db2.gz YOVYQGGCNWNLJP-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001103631687 1365690014 /nfs/dbraw/zinc/69/00/14/1365690014.db2.gz YOVYQGGCNWNLJP-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](CCC)CCC)C1 ZINC001103634310 1365692133 /nfs/dbraw/zinc/69/21/33/1365692133.db2.gz SLADSVJRZVCPJS-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104379124 1365995092 /nfs/dbraw/zinc/99/50/92/1365995092.db2.gz YSDLTVNKXPCKPP-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105560846 1366530635 /nfs/dbraw/zinc/53/06/35/1366530635.db2.gz DIJLYHPTLJTDBH-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575160 1366540031 /nfs/dbraw/zinc/54/00/31/1366540031.db2.gz SLBMDTWWQUDLEH-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574207 1366741386 /nfs/dbraw/zinc/74/13/86/1366741386.db2.gz CMXFDGYWOLNUMW-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001107646689 1367092025 /nfs/dbraw/zinc/09/20/25/1367092025.db2.gz QJHVELIBXSFTGF-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001107646689 1367092031 /nfs/dbraw/zinc/09/20/31/1367092031.db2.gz QJHVELIBXSFTGF-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001107646689 1367092037 /nfs/dbraw/zinc/09/20/37/1367092037.db2.gz QJHVELIBXSFTGF-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485115 1367153201 /nfs/dbraw/zinc/15/32/01/1367153201.db2.gz LEGQSOOQQXFQGG-QYZOEREBSA-N 2 1 347.547 3.307 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485049 1367153237 /nfs/dbraw/zinc/15/32/37/1367153237.db2.gz IAQVJBHOYQXGIA-QYZOEREBSA-N 2 1 345.531 3.083 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190323758 1367227188 /nfs/dbraw/zinc/22/71/88/1367227188.db2.gz DIFCOKAYTBRXQI-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481631 1367273921 /nfs/dbraw/zinc/27/39/21/1367273921.db2.gz YOAKXUPMZDLSKV-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190655547 1367319248 /nfs/dbraw/zinc/31/92/48/1367319248.db2.gz QALBXEVNRGQCRB-ROUUACIJSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190655547 1367319250 /nfs/dbraw/zinc/31/92/50/1367319250.db2.gz QALBXEVNRGQCRB-ROUUACIJSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743623 1367340365 /nfs/dbraw/zinc/34/03/65/1367340365.db2.gz MOPVENKQXIXPIM-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190743623 1367340372 /nfs/dbraw/zinc/34/03/72/1367340372.db2.gz MOPVENKQXIXPIM-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190743623 1367340376 /nfs/dbraw/zinc/34/03/76/1367340376.db2.gz MOPVENKQXIXPIM-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190889436 1367376030 /nfs/dbraw/zinc/37/60/30/1367376030.db2.gz KTZXLMAIIKTMSV-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857772 1368038208 /nfs/dbraw/zinc/03/82/08/1368038208.db2.gz QINTUKZWWKFYAV-QRVBRYPASA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227335 1368212881 /nfs/dbraw/zinc/21/28/81/1368212881.db2.gz KAPSLGZWTHJHEX-XLIONFOSSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194420589 1368258109 /nfs/dbraw/zinc/25/81/09/1368258109.db2.gz SYYGXJPMMLMERY-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001195854734 1368503966 /nfs/dbraw/zinc/50/39/66/1368503966.db2.gz ZOJXHJFXNDQZIE-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001195854734 1368503975 /nfs/dbraw/zinc/50/39/75/1368503975.db2.gz ZOJXHJFXNDQZIE-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001195854734 1368503980 /nfs/dbraw/zinc/50/39/80/1368503980.db2.gz ZOJXHJFXNDQZIE-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196164284 1368561139 /nfs/dbraw/zinc/56/11/39/1368561139.db2.gz ZMYSZSNANUYUFG-SFHVURJKSA-N 2 1 344.503 3.041 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196164284 1368561142 /nfs/dbraw/zinc/56/11/42/1368561142.db2.gz ZMYSZSNANUYUFG-SFHVURJKSA-N 2 1 344.503 3.041 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112586069 1368938022 /nfs/dbraw/zinc/93/80/22/1368938022.db2.gz FXNFMNYFTUWMMB-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198243089 1368987671 /nfs/dbraw/zinc/98/76/71/1368987671.db2.gz DQSMJLHMKYRSIZ-UHFFFAOYSA-N 2 1 337.552 3.367 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401772 1369400114 /nfs/dbraw/zinc/40/01/14/1369400114.db2.gz QQFUQTSDNLCDKZ-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641637 1370198332 /nfs/dbraw/zinc/19/83/32/1370198332.db2.gz SPNIKJNCUKZJJW-OALUTQOASA-N 2 1 349.563 3.482 20 30 EGEDMP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001203762619 1370254548 /nfs/dbraw/zinc/25/45/48/1370254548.db2.gz SNVNFHCMCUAUBW-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420424 1370749527 /nfs/dbraw/zinc/74/95/27/1370749527.db2.gz SXXONLAFANTUKJ-HKUYNNGSSA-N 2 1 335.536 3.044 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)CC[C@H]1C[NH3+] ZINC001205627207 1370815982 /nfs/dbraw/zinc/81/59/82/1370815982.db2.gz NVZCKRJHDJOOSK-OCCSQVGLSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Br)c2)CCC[C@@H]1C[NH3+] ZINC001206024877 1370942110 /nfs/dbraw/zinc/94/21/10/1370942110.db2.gz LOGDQSIILOYGQZ-GXTWGEPZSA-N 2 1 336.277 3.128 20 30 EGEDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CC[C@@H]1F ZINC001206173906 1370979875 /nfs/dbraw/zinc/97/98/75/1370979875.db2.gz KPMHPHOTZFEKMT-OALUTQOASA-N 2 1 328.456 3.409 20 30 EGEDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CC[C@@H]1F ZINC001206173906 1370979879 /nfs/dbraw/zinc/97/98/79/1370979879.db2.gz KPMHPHOTZFEKMT-OALUTQOASA-N 2 1 328.456 3.409 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001206275493 1371010074 /nfs/dbraw/zinc/01/00/74/1371010074.db2.gz UGQBXWLIPAIGHN-SFHVURJKSA-N 2 1 337.552 3.127 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481489 1371068314 /nfs/dbraw/zinc/06/83/14/1371068314.db2.gz ICMRHRKUGXACKY-ICSRJNTNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481447 1371068658 /nfs/dbraw/zinc/06/86/58/1371068658.db2.gz HQXINTYHXUUQME-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952365 1371243028 /nfs/dbraw/zinc/24/30/28/1371243028.db2.gz LWNPJJNLJQHGCD-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974718 1371254762 /nfs/dbraw/zinc/25/47/62/1371254762.db2.gz OPZJNBFWAOYNML-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP Cc1cc(N2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)c2ccccc2[nH+]1 ZINC001207103255 1371294472 /nfs/dbraw/zinc/29/44/72/1371294472.db2.gz RLCMSQXWGWQTRA-UHFFFAOYSA-N 2 1 345.450 3.076 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121859732 1372105649 /nfs/dbraw/zinc/10/56/49/1372105649.db2.gz GWJIIXXXFMTWSO-FCOWATRHSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214850061 1373129616 /nfs/dbraw/zinc/12/96/16/1373129616.db2.gz PBYNPXFLBCCKHU-HSALFYBXSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567950 1373213553 /nfs/dbraw/zinc/21/35/53/1373213553.db2.gz IKFUOVQFUHYVLM-QZTJIDSGSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001188151247 1388250607 /nfs/dbraw/zinc/25/06/07/1388250607.db2.gz SLXXILFHMKILHO-UXHICEINSA-N 2 1 345.531 3.450 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221544014 1373778843 /nfs/dbraw/zinc/77/88/43/1373778843.db2.gz JXFLGNZRYYQWLR-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544014 1373778848 /nfs/dbraw/zinc/77/88/48/1373778848.db2.gz JXFLGNZRYYQWLR-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544014 1373778850 /nfs/dbraw/zinc/77/88/50/1373778850.db2.gz JXFLGNZRYYQWLR-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001222689342 1373860740 /nfs/dbraw/zinc/86/07/40/1373860740.db2.gz OUVMAPRHAZSHTA-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202027 1375205946 /nfs/dbraw/zinc/20/59/46/1375205946.db2.gz BAOZQTIHDQTZSJ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485493 1375418710 /nfs/dbraw/zinc/41/87/10/1375418710.db2.gz IBQXPXHRKCAYNV-SJLPKXTDSA-N 2 1 334.508 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485493 1375418713 /nfs/dbraw/zinc/41/87/13/1375418713.db2.gz IBQXPXHRKCAYNV-SJLPKXTDSA-N 2 1 334.508 3.131 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001132523883 1375439631 /nfs/dbraw/zinc/43/96/31/1375439631.db2.gz BLDKOYGCIGALHI-FXAWDEMLSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133120902 1375786443 /nfs/dbraw/zinc/78/64/43/1375786443.db2.gz CDWCIIPJRTUJKS-ROUUACIJSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581158 1376085248 /nfs/dbraw/zinc/08/52/48/1376085248.db2.gz VVEKEYWWHJMGRB-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598404 1376092309 /nfs/dbraw/zinc/09/23/09/1376092309.db2.gz NOFHZHOAVQVHIP-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230610907 1376101028 /nfs/dbraw/zinc/10/10/28/1376101028.db2.gz JTLUMZOEZBLKLF-UXHICEINSA-N 2 1 349.563 3.242 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230610909 1376101080 /nfs/dbraw/zinc/10/10/80/1376101080.db2.gz JTLUMZOEZBLKLF-WOJBJXKFSA-N 2 1 349.563 3.242 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001233079530 1376564478 /nfs/dbraw/zinc/56/44/78/1376564478.db2.gz GSWHIUZGATUTNA-KDURUIRLSA-N 2 1 337.492 3.492 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001233079530 1376564483 /nfs/dbraw/zinc/56/44/83/1376564483.db2.gz GSWHIUZGATUTNA-KDURUIRLSA-N 2 1 337.492 3.492 20 30 EGEDMP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233082441 1376567653 /nfs/dbraw/zinc/56/76/53/1376567653.db2.gz MORNKURWEUTOLY-UHFFFAOYSA-N 2 1 342.531 3.106 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601775 1377159720 /nfs/dbraw/zinc/15/97/20/1377159720.db2.gz XUZYCLQSYZUPFF-DLBZAZTESA-N 2 1 334.508 3.236 20 30 EGEDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1 ZINC001139405658 1377879872 /nfs/dbraw/zinc/87/98/72/1377879872.db2.gz XRMLSVUZSQDSPQ-OAQYLSRUSA-N 2 1 332.451 3.148 20 30 EGEDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1 ZINC001139405658 1377879877 /nfs/dbraw/zinc/87/98/77/1377879877.db2.gz XRMLSVUZSQDSPQ-OAQYLSRUSA-N 2 1 332.451 3.148 20 30 EGEDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1 ZINC001139405658 1377879879 /nfs/dbraw/zinc/87/98/79/1377879879.db2.gz XRMLSVUZSQDSPQ-OAQYLSRUSA-N 2 1 332.451 3.148 20 30 EGEDMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(Oc4ccc(C#N)cc4)nc3)C[C@@H]2C1 ZINC001139423630 1377881294 /nfs/dbraw/zinc/88/12/94/1377881294.db2.gz IWHKRGSFNLQNEN-MOPGFXCFSA-N 2 1 348.450 3.129 20 30 EGEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C[C@@H]2C1 ZINC001139423630 1377881300 /nfs/dbraw/zinc/88/13/00/1377881300.db2.gz IWHKRGSFNLQNEN-MOPGFXCFSA-N 2 1 348.450 3.129 20 30 EGEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C[C@@H]2C1 ZINC001139423630 1377881305 /nfs/dbraw/zinc/88/13/05/1377881305.db2.gz IWHKRGSFNLQNEN-MOPGFXCFSA-N 2 1 348.450 3.129 20 30 EGEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C[C@@H]2C1 ZINC001139423630 1377881307 /nfs/dbraw/zinc/88/13/07/1377881307.db2.gz IWHKRGSFNLQNEN-MOPGFXCFSA-N 2 1 348.450 3.129 20 30 EGEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C[C@@H]2C1 ZINC001139423630 1377881315 /nfs/dbraw/zinc/88/13/15/1377881315.db2.gz IWHKRGSFNLQNEN-MOPGFXCFSA-N 2 1 348.450 3.129 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001140542600 1378081369 /nfs/dbraw/zinc/08/13/69/1378081369.db2.gz BXSMXXAIWJDHKN-UHFFFAOYSA-N 2 1 336.439 3.034 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001140547556 1378083418 /nfs/dbraw/zinc/08/34/18/1378083418.db2.gz UDBMPKQHNNWXRJ-LEWJYISDSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001140547556 1378083421 /nfs/dbraw/zinc/08/34/21/1378083421.db2.gz UDBMPKQHNNWXRJ-LEWJYISDSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001140547556 1378083424 /nfs/dbraw/zinc/08/34/24/1378083424.db2.gz UDBMPKQHNNWXRJ-LEWJYISDSA-N 2 1 346.478 3.297 20 30 EGEDMP C[NH+]1CCN(c2ccccc2C[N@H+](CCC#N)C2CCCC2)CC1 ZINC001140974014 1378197840 /nfs/dbraw/zinc/19/78/40/1378197840.db2.gz VGCNTXQVZMSNCD-UHFFFAOYSA-N 2 1 326.488 3.097 20 30 EGEDMP C[NH+]1CCN(c2ccccc2C[N@@H+](CCC#N)C2CCCC2)CC1 ZINC001140974014 1378197846 /nfs/dbraw/zinc/19/78/46/1378197846.db2.gz VGCNTXQVZMSNCD-UHFFFAOYSA-N 2 1 326.488 3.097 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001147465778 1379025800 /nfs/dbraw/zinc/02/58/00/1379025800.db2.gz ADTVHQHYQFDBFD-LJQANCHMSA-N 2 1 333.520 3.356 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839524 1379280448 /nfs/dbraw/zinc/28/04/48/1379280448.db2.gz PXIAHBAUFJLTGZ-UHFFFAOYSA-N 2 1 349.563 3.367 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158450822 1381249816 /nfs/dbraw/zinc/24/98/16/1381249816.db2.gz ZJQKPMPJLUBWOX-GOSISDBHSA-N 2 1 325.541 3.221 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001161938491 1382561966 /nfs/dbraw/zinc/56/19/66/1382561966.db2.gz OMPQZGHQRHPODF-UHFFFAOYSA-N 2 1 341.499 3.076 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166390394 1383417867 /nfs/dbraw/zinc/41/78/67/1383417867.db2.gz KRKUNQVUXIIGAP-UHFFFAOYSA-N 2 1 335.536 3.093 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167641148 1383696686 /nfs/dbraw/zinc/69/66/86/1383696686.db2.gz ULDFXAZXQZXOSF-UHFFFAOYSA-N 2 1 325.541 3.175 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694760 1383713782 /nfs/dbraw/zinc/71/37/82/1383713782.db2.gz SLFNLTDXGBONPP-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167709646 1383719283 /nfs/dbraw/zinc/71/92/83/1383719283.db2.gz AVKZVZIEBULECA-LJQANCHMSA-N 2 1 343.515 3.132 20 30 EGEDMP C=CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054809 1383806152 /nfs/dbraw/zinc/80/61/52/1383806152.db2.gz UGXMPTZDCQRCPX-CEQLMSFQSA-N 2 1 327.516 3.232 20 30 EGEDMP C=CC[NH+]1CCN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054809 1383806155 /nfs/dbraw/zinc/80/61/55/1383806155.db2.gz UGXMPTZDCQRCPX-CEQLMSFQSA-N 2 1 327.516 3.232 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346235 1383880409 /nfs/dbraw/zinc/88/04/09/1383880409.db2.gz YIUZEVLHJJQPAV-LJQANCHMSA-N 2 1 343.515 3.132 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171237549 1384476643 /nfs/dbraw/zinc/47/66/43/1384476643.db2.gz QVYWVKZARKBWOJ-MOPGFXCFSA-N 2 1 337.552 3.195 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175571767 1385335597 /nfs/dbraw/zinc/33/55/97/1385335597.db2.gz FRFSNIJMVCAQIQ-RBUKOAKNSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176284187 1385539154 /nfs/dbraw/zinc/53/91/54/1385539154.db2.gz CWWSJKYHEYGQEI-GOSISDBHSA-N 2 1 325.541 3.339 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CCC ZINC001177468477 1385968383 /nfs/dbraw/zinc/96/83/83/1385968383.db2.gz ARHWGXBTLPLWJM-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178729371 1386292018 /nfs/dbraw/zinc/29/20/18/1386292018.db2.gz VSZWLVABNUUOGZ-OALUTQOASA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179792448 1386587430 /nfs/dbraw/zinc/58/74/30/1386587430.db2.gz NMMOCEXFUGWVGG-MOPGFXCFSA-N 2 1 335.536 3.236 20 30 EGEDMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc(C#N)c1 ZINC001320641174 1386675688 /nfs/dbraw/zinc/67/56/88/1386675688.db2.gz ZGUIMCJOMTWCRM-GOSISDBHSA-N 2 1 348.494 3.156 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180372911 1386777957 /nfs/dbraw/zinc/77/79/57/1386777957.db2.gz NFQXNUWIDULKII-RBUKOAKNSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001752260059 1440161534 /nfs/dbraw/zinc/16/15/34/1440161534.db2.gz XLKFGTFSKMFDNO-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001752260059 1440161535 /nfs/dbraw/zinc/16/15/35/1440161535.db2.gz XLKFGTFSKMFDNO-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001752260059 1440161536 /nfs/dbraw/zinc/16/15/36/1440161536.db2.gz XLKFGTFSKMFDNO-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001752542621 1440194706 /nfs/dbraw/zinc/19/47/06/1440194706.db2.gz NYXPDFDRGIUFLA-WCIQWLHISA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001752542621 1440194707 /nfs/dbraw/zinc/19/47/07/1440194707.db2.gz NYXPDFDRGIUFLA-WCIQWLHISA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001752542621 1440194708 /nfs/dbraw/zinc/19/47/08/1440194708.db2.gz NYXPDFDRGIUFLA-WCIQWLHISA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753222832 1440340200 /nfs/dbraw/zinc/34/02/00/1440340200.db2.gz OZIMCGACFJUZCL-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753352773 1440378702 /nfs/dbraw/zinc/37/87/02/1440378702.db2.gz QFXMQBRNIOLAPN-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753352773 1440378703 /nfs/dbraw/zinc/37/87/03/1440378703.db2.gz QFXMQBRNIOLAPN-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753352773 1440378704 /nfs/dbraw/zinc/37/87/04/1440378704.db2.gz QFXMQBRNIOLAPN-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001753877005 1440519671 /nfs/dbraw/zinc/51/96/71/1440519671.db2.gz CYIZCHDSEJLIPJ-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001754578961 1440638361 /nfs/dbraw/zinc/63/83/61/1440638361.db2.gz YUIBTXBNTSIVPW-HKUYNNGSSA-N 2 1 335.536 3.116 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001754578961 1440638362 /nfs/dbraw/zinc/63/83/62/1440638362.db2.gz YUIBTXBNTSIVPW-HKUYNNGSSA-N 2 1 335.536 3.116 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001754722120 1440673870 /nfs/dbraw/zinc/67/38/70/1440673870.db2.gz MEGZXZXVRYMPBH-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001755198250 1440778078 /nfs/dbraw/zinc/77/80/78/1440778078.db2.gz WUAXTKRJQQGTNO-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755198250 1440778079 /nfs/dbraw/zinc/77/80/79/1440778079.db2.gz WUAXTKRJQQGTNO-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755198250 1440778080 /nfs/dbraw/zinc/77/80/80/1440778080.db2.gz WUAXTKRJQQGTNO-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001755200934 1440779696 /nfs/dbraw/zinc/77/96/96/1440779696.db2.gz MDANGWDJNRUZNT-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001755200934 1440779697 /nfs/dbraw/zinc/77/96/97/1440779697.db2.gz MDANGWDJNRUZNT-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001755200934 1440779698 /nfs/dbraw/zinc/77/96/98/1440779698.db2.gz MDANGWDJNRUZNT-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001755200933 1440779745 /nfs/dbraw/zinc/77/97/45/1440779745.db2.gz MDANGWDJNRUZNT-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001755200933 1440779746 /nfs/dbraw/zinc/77/97/46/1440779746.db2.gz MDANGWDJNRUZNT-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001755200933 1440779747 /nfs/dbraw/zinc/77/97/47/1440779747.db2.gz MDANGWDJNRUZNT-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001755868720 1440938476 /nfs/dbraw/zinc/93/84/76/1440938476.db2.gz FFRZTQVTWVADEE-IBGZPJMESA-N 2 1 347.547 3.188 20 30 EGEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576283165 324582725 /nfs/dbraw/zinc/58/27/25/324582725.db2.gz FMZXFFFJIQJTKC-MSOLQXFVSA-N 2 1 344.459 3.457 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245772263 455377454 /nfs/dbraw/zinc/37/74/54/455377454.db2.gz SAQVJGLNPVWIQS-MJGOQNOKSA-N 2 1 327.472 3.285 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245772263 455377457 /nfs/dbraw/zinc/37/74/57/455377457.db2.gz SAQVJGLNPVWIQS-MJGOQNOKSA-N 2 1 327.472 3.285 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083031820 453935318 /nfs/dbraw/zinc/93/53/18/453935318.db2.gz FXHNCJVHBOUESQ-SJLPKXTDSA-N 2 1 344.503 3.069 20 30 EGEDMP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109878 453965644 /nfs/dbraw/zinc/96/56/44/453965644.db2.gz WJXNXQAAEHWYMM-OAQYLSRUSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109878 453965647 /nfs/dbraw/zinc/96/56/47/453965647.db2.gz WJXNXQAAEHWYMM-OAQYLSRUSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109878 453965651 /nfs/dbraw/zinc/96/56/51/453965651.db2.gz WJXNXQAAEHWYMM-OAQYLSRUSA-N 2 1 349.478 3.391 20 30 EGEDMP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134548872 454559899 /nfs/dbraw/zinc/55/98/99/454559899.db2.gz DREGGIRKCYXMJD-CZUORRHYSA-N 2 1 340.874 3.128 20 30 EGEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356587 455595848 /nfs/dbraw/zinc/59/58/48/455595848.db2.gz XZYJUZGSTSGBIC-LJQANCHMSA-N 2 1 329.488 3.197 20 30 EGEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356587 455595854 /nfs/dbraw/zinc/59/58/54/455595854.db2.gz XZYJUZGSTSGBIC-LJQANCHMSA-N 2 1 329.488 3.197 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)oc1C ZINC000192856418 455707040 /nfs/dbraw/zinc/70/70/40/455707040.db2.gz ACRSTVZSEUCYTC-ZWKOTPCHSA-N 2 1 330.476 3.175 20 30 EGEDMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1C#N ZINC000293927846 455801240 /nfs/dbraw/zinc/80/12/40/455801240.db2.gz NGDHDGYXWLNODV-UHFFFAOYSA-N 2 1 348.494 3.385 20 30 EGEDMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(C#N)cc1 ZINC000278802157 455849627 /nfs/dbraw/zinc/84/96/27/455849627.db2.gz RIOOMVHCDSJOFK-IBGZPJMESA-N 2 1 327.472 3.244 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290368149 456307356 /nfs/dbraw/zinc/30/73/56/456307356.db2.gz HFZYNFKEYDFNHS-HXUWFJFHSA-N 2 1 340.515 3.200 20 30 EGEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357016660 457278178 /nfs/dbraw/zinc/27/81/78/457278178.db2.gz QTWLCYHUEZIXEE-IBGZPJMESA-N 2 1 347.547 3.164 20 30 EGEDMP C=CCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000351424485 457285378 /nfs/dbraw/zinc/28/53/78/457285378.db2.gz WJBXMVOYNHGYPZ-LEWJYISDSA-N 2 1 328.500 3.302 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351424485 457285382 /nfs/dbraw/zinc/28/53/82/457285382.db2.gz WJBXMVOYNHGYPZ-LEWJYISDSA-N 2 1 328.500 3.302 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351424485 457285386 /nfs/dbraw/zinc/28/53/86/457285386.db2.gz WJBXMVOYNHGYPZ-LEWJYISDSA-N 2 1 328.500 3.302 20 30 EGEDMP N#Cc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000594956247 459192046 /nfs/dbraw/zinc/19/20/46/459192046.db2.gz WEFZBMZBVNNXDP-UHFFFAOYSA-N 2 1 333.479 3.397 20 30 EGEDMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4ccc(C#N)cc43)CC2)nc(C)[nH+]1 ZINC000582455796 459366970 /nfs/dbraw/zinc/36/69/70/459366970.db2.gz MFVIRFYMBDRSFP-HXUWFJFHSA-N 2 1 347.466 3.211 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598701396 459999728 /nfs/dbraw/zinc/99/97/28/459999728.db2.gz USVYKEDLDYQLJJ-FXAWDEMLSA-N 2 1 343.515 3.451 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1O ZINC000647543740 461759041 /nfs/dbraw/zinc/75/90/41/461759041.db2.gz ROEPYIKEMAEVGK-RTBURBONSA-N 2 1 344.499 3.341 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2OC)CC1 ZINC000153045827 526603866 /nfs/dbraw/zinc/60/38/66/526603866.db2.gz ICZNCLZMCMPFST-MRXNPFEDSA-N 2 1 345.487 3.042 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000152938665 526606549 /nfs/dbraw/zinc/60/65/49/526606549.db2.gz LCTISKTYJLYJCG-GOSISDBHSA-N 3 1 345.531 3.318 20 30 EGEDMP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000192724889 1295792634 /nfs/dbraw/zinc/79/26/34/1295792634.db2.gz WSEKQSFAISZZNI-JOCHJYFZSA-N 2 1 339.527 3.025 20 30 EGEDMP C[NH+]=C(NCC1CCCC1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262345613 1296626683 /nfs/dbraw/zinc/62/66/83/1296626683.db2.gz DFEQLNYTQPWNBI-WMZOPIPTSA-N 2 1 348.560 3.486 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N1CCC(C)CC1 ZINC000262454601 1296632095 /nfs/dbraw/zinc/63/20/95/1296632095.db2.gz WOADJUBMXMEIMZ-FUHWJXTLSA-N 2 1 348.560 3.438 20 30 EGEDMP CC[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303867401 1296862750 /nfs/dbraw/zinc/86/27/50/1296862750.db2.gz CWCXZKZDHJUIAP-GFCCVEGCSA-N 2 1 344.381 3.044 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)C1 ZINC000303884749 1296868114 /nfs/dbraw/zinc/86/81/14/1296868114.db2.gz JHQGMIVEVPNTSO-MRXNPFEDSA-N 2 1 328.504 3.123 20 30 EGEDMP COc1cccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000303978481 1296886650 /nfs/dbraw/zinc/88/66/50/1296886650.db2.gz MGFYLSBPJBMZLW-QGZVFWFLSA-N 2 1 342.443 3.160 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000304015489 1296892602 /nfs/dbraw/zinc/89/26/02/1296892602.db2.gz WHLLKLFHOLLACH-IBGZPJMESA-N 2 1 330.520 3.172 20 30 EGEDMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000708588527 1298243873 /nfs/dbraw/zinc/24/38/73/1298243873.db2.gz WADXPASASXLLGS-UWJYYQICSA-N 2 1 349.478 3.425 20 30 EGEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000876719639 1298936919 /nfs/dbraw/zinc/93/69/19/1298936919.db2.gz QNIJEKDOGJDCMR-CRAIPNDOSA-N 2 1 349.906 3.147 20 30 EGEDMP C=CCOc1ccc(C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000762062036 1301604469 /nfs/dbraw/zinc/60/44/69/1301604469.db2.gz VCCYFYWDGMFYNC-IBGZPJMESA-N 2 1 346.515 3.309 20 30 EGEDMP C=CCOc1ccc(C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C(C)(C)C)cc1 ZINC000762062036 1301604478 /nfs/dbraw/zinc/60/44/78/1301604478.db2.gz VCCYFYWDGMFYNC-IBGZPJMESA-N 2 1 346.515 3.309 20 30 EGEDMP C#CCOc1cccc(Cl)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000778173331 1304409959 /nfs/dbraw/zinc/40/99/59/1304409959.db2.gz UEEKHHJVRQGJRH-UHFFFAOYSA-N 2 1 331.847 3.427 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555401 1317452386 /nfs/dbraw/zinc/45/23/86/1317452386.db2.gz AIGNXXOTMLVXGV-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414279 1319518187 /nfs/dbraw/zinc/51/81/87/1319518187.db2.gz POCQWKHRLSZXNH-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414279 1319518196 /nfs/dbraw/zinc/51/81/96/1319518196.db2.gz POCQWKHRLSZXNH-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414279 1319518206 /nfs/dbraw/zinc/51/82/06/1319518206.db2.gz POCQWKHRLSZXNH-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000849097456 1322077302 /nfs/dbraw/zinc/07/73/02/1322077302.db2.gz HOLOHAKXPXNILZ-SFHVURJKSA-N 2 1 339.487 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239633 1324033100 /nfs/dbraw/zinc/03/31/00/1324033100.db2.gz HAQRWVKRPUTVON-OALUTQOASA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025265019 1324077228 /nfs/dbraw/zinc/07/72/28/1324077228.db2.gz CWINQWIESSXECQ-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560030 1324407556 /nfs/dbraw/zinc/40/75/56/1324407556.db2.gz ZBQIIZRVLPVODI-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963306353 1325088397 /nfs/dbraw/zinc/08/83/97/1325088397.db2.gz NXXGLWGYRXIFNW-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203681 1331876969 /nfs/dbraw/zinc/87/69/69/1331876969.db2.gz KAZARWSRTDZEKL-BEFAXECRSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947309562 1333084091 /nfs/dbraw/zinc/08/40/91/1333084091.db2.gz FMAMCBHKJRYHRM-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361047 1333102785 /nfs/dbraw/zinc/10/27/85/1333102785.db2.gz LHUUDSYCBUBDJQ-WBVHZDCISA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948079012 1333368159 /nfs/dbraw/zinc/36/81/59/1333368159.db2.gz RNZMGHQTRULKMT-SJORKVTESA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574352 1333582362 /nfs/dbraw/zinc/58/23/62/1333582362.db2.gz FPNVKKMAKNVLML-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574352 1333582364 /nfs/dbraw/zinc/58/23/64/1333582364.db2.gz FPNVKKMAKNVLML-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574352 1333582366 /nfs/dbraw/zinc/58/23/66/1333582366.db2.gz FPNVKKMAKNVLML-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621958 1333600532 /nfs/dbraw/zinc/60/05/32/1333600532.db2.gz YUEOHYXTKJACHR-INIZCTEOSA-N 2 1 346.862 3.013 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829292 1333700928 /nfs/dbraw/zinc/70/09/28/1333700928.db2.gz JEBWMZOFICGJTD-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829292 1333700931 /nfs/dbraw/zinc/70/09/31/1333700931.db2.gz JEBWMZOFICGJTD-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829292 1333700932 /nfs/dbraw/zinc/70/09/32/1333700932.db2.gz JEBWMZOFICGJTD-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829812 1333701639 /nfs/dbraw/zinc/70/16/39/1333701639.db2.gz WXTLRDBEPUEIMX-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829812 1333701643 /nfs/dbraw/zinc/70/16/43/1333701643.db2.gz WXTLRDBEPUEIMX-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829812 1333701645 /nfs/dbraw/zinc/70/16/45/1333701645.db2.gz WXTLRDBEPUEIMX-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674926 1336005569 /nfs/dbraw/zinc/00/55/69/1336005569.db2.gz WADVDMZNILIWQG-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674927 1336005869 /nfs/dbraw/zinc/00/58/69/1336005869.db2.gz WADVDMZNILIWQG-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882498 1336078897 /nfs/dbraw/zinc/07/88/97/1336078897.db2.gz PBYJVZMLDWJPPA-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882498 1336078898 /nfs/dbraw/zinc/07/88/98/1336078898.db2.gz PBYJVZMLDWJPPA-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882498 1336078900 /nfs/dbraw/zinc/07/89/00/1336078900.db2.gz PBYJVZMLDWJPPA-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153692 1336164650 /nfs/dbraw/zinc/16/46/50/1336164650.db2.gz NBTODIUQPLJSMU-FQEVSTJZSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011953 1340908350 /nfs/dbraw/zinc/90/83/50/1340908350.db2.gz FKHYYLKHDDRMMI-KRWDZBQOSA-N 2 1 347.503 3.139 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081250 1341718156 /nfs/dbraw/zinc/71/81/56/1341718156.db2.gz GROYTWAGWHZCLG-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081250 1341718157 /nfs/dbraw/zinc/71/81/57/1341718157.db2.gz GROYTWAGWHZCLG-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081250 1341718158 /nfs/dbraw/zinc/71/81/58/1341718158.db2.gz GROYTWAGWHZCLG-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033837499 1342035891 /nfs/dbraw/zinc/03/58/91/1342035891.db2.gz RYBXTQOIRAIJHE-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033837499 1342035892 /nfs/dbraw/zinc/03/58/92/1342035892.db2.gz RYBXTQOIRAIJHE-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033837499 1342035894 /nfs/dbraw/zinc/03/58/94/1342035894.db2.gz RYBXTQOIRAIJHE-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035256588 1343082605 /nfs/dbraw/zinc/08/26/05/1343082605.db2.gz JMAFTKGHZCNATK-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755129 1343676752 /nfs/dbraw/zinc/67/67/52/1343676752.db2.gz RMGRQEHIFNQJLT-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755129 1343676753 /nfs/dbraw/zinc/67/67/53/1343676753.db2.gz RMGRQEHIFNQJLT-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755129 1343676755 /nfs/dbraw/zinc/67/67/55/1343676755.db2.gz RMGRQEHIFNQJLT-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039386909 1345039407 /nfs/dbraw/zinc/03/94/07/1345039407.db2.gz KVFOVLHXQPBVKQ-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039386909 1345039410 /nfs/dbraw/zinc/03/94/10/1345039410.db2.gz KVFOVLHXQPBVKQ-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039386909 1345039413 /nfs/dbraw/zinc/03/94/13/1345039413.db2.gz KVFOVLHXQPBVKQ-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001039452217 1345075099 /nfs/dbraw/zinc/07/50/99/1345075099.db2.gz MGMPUELSSIFGBA-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474312 1345089086 /nfs/dbraw/zinc/08/90/86/1345089086.db2.gz AXUNATURJNGCJS-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244053 1345393469 /nfs/dbraw/zinc/39/34/69/1345393469.db2.gz GRQWKPCNGKGLSI-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244053 1345393473 /nfs/dbraw/zinc/39/34/73/1345393473.db2.gz GRQWKPCNGKGLSI-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244053 1345393476 /nfs/dbraw/zinc/39/34/76/1345393476.db2.gz GRQWKPCNGKGLSI-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545599 1345540637 /nfs/dbraw/zinc/54/06/37/1345540637.db2.gz RRZRAYSPZLVQDO-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545599 1345540638 /nfs/dbraw/zinc/54/06/38/1345540638.db2.gz RRZRAYSPZLVQDO-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545599 1345540641 /nfs/dbraw/zinc/54/06/41/1345540641.db2.gz RRZRAYSPZLVQDO-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045966430 1346801056 /nfs/dbraw/zinc/80/10/56/1346801056.db2.gz WMTQQDXUGHZJKI-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966430 1346801060 /nfs/dbraw/zinc/80/10/60/1346801060.db2.gz WMTQQDXUGHZJKI-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045966430 1346801064 /nfs/dbraw/zinc/80/10/64/1346801064.db2.gz WMTQQDXUGHZJKI-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049526527 1347893261 /nfs/dbraw/zinc/89/32/61/1347893261.db2.gz VMUSJKRRDCYDGB-VAMGGRTRSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526527 1347893264 /nfs/dbraw/zinc/89/32/64/1347893264.db2.gz VMUSJKRRDCYDGB-VAMGGRTRSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526527 1347893269 /nfs/dbraw/zinc/89/32/69/1347893269.db2.gz VMUSJKRRDCYDGB-VAMGGRTRSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763710 1348008454 /nfs/dbraw/zinc/00/84/54/1348008454.db2.gz XOJGXFSFGWQABE-QZTJIDSGSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763710 1348008456 /nfs/dbraw/zinc/00/84/56/1348008456.db2.gz XOJGXFSFGWQABE-QZTJIDSGSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049765842 1348009014 /nfs/dbraw/zinc/00/90/14/1348009014.db2.gz IGUPLQHGABPSAG-AQNXPRMDSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049765842 1348009018 /nfs/dbraw/zinc/00/90/18/1348009018.db2.gz IGUPLQHGABPSAG-AQNXPRMDSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049765842 1348009020 /nfs/dbraw/zinc/00/90/20/1348009020.db2.gz IGUPLQHGABPSAG-AQNXPRMDSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787331 1348021970 /nfs/dbraw/zinc/02/19/70/1348021970.db2.gz HGZMVMDGDXURLY-PMACEKPBSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049918813 1348111996 /nfs/dbraw/zinc/11/19/96/1348111996.db2.gz MRGKCGNIOGPELK-WOJBJXKFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049921407 1348113780 /nfs/dbraw/zinc/11/37/80/1348113780.db2.gz WGMZXHFJFLBHBS-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762743 1348668237 /nfs/dbraw/zinc/66/82/37/1348668237.db2.gz BKRJKCPDEVSZAE-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762743 1348668242 /nfs/dbraw/zinc/66/82/42/1348668242.db2.gz BKRJKCPDEVSZAE-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762743 1348668248 /nfs/dbraw/zinc/66/82/48/1348668248.db2.gz BKRJKCPDEVSZAE-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927756 1359252694 /nfs/dbraw/zinc/25/26/94/1359252694.db2.gz LFYMMMLUHWIZPF-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001088412038 1359883363 /nfs/dbraw/zinc/88/33/63/1359883363.db2.gz WESLYVYUVGUJIW-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089386284 1360386754 /nfs/dbraw/zinc/38/67/54/1360386754.db2.gz OBBOAXHFWZDSGT-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184808956 1387543661 /nfs/dbraw/zinc/54/36/61/1387543661.db2.gz CASBLVMOLMSAFD-MJGOQNOKSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950834 1361958230 /nfs/dbraw/zinc/95/82/30/1361958230.db2.gz SFHGNFRSZUPTTR-SCTDSRPQSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099116271 1363632568 /nfs/dbraw/zinc/63/25/68/1363632568.db2.gz OYWGXIPDLSATQG-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116271 1363632571 /nfs/dbraw/zinc/63/25/71/1363632571.db2.gz OYWGXIPDLSATQG-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116271 1363632574 /nfs/dbraw/zinc/63/25/74/1363632574.db2.gz OYWGXIPDLSATQG-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099252673 1363715057 /nfs/dbraw/zinc/71/50/57/1363715057.db2.gz YZGNSAGZNKXQGE-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257088 1363716781 /nfs/dbraw/zinc/71/67/81/1363716781.db2.gz AIYXNWFUAGTVKX-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099257088 1363716784 /nfs/dbraw/zinc/71/67/84/1363716784.db2.gz AIYXNWFUAGTVKX-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185233528 1387657444 /nfs/dbraw/zinc/65/74/44/1387657444.db2.gz BEOJQCHTAONFBK-ZWKOTPCHSA-N 2 1 346.519 3.047 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681281 1364216425 /nfs/dbraw/zinc/21/64/25/1364216425.db2.gz FLXJYOIJTMTMID-UHFFFAOYSA-N 2 1 339.568 3.419 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@]2(C)C1 ZINC001101427855 1364559081 /nfs/dbraw/zinc/55/90/81/1364559081.db2.gz SCCNTJNMADYOQE-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001101574210 1364628927 /nfs/dbraw/zinc/62/89/27/1364628927.db2.gz XINZPEIUOPFVTL-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001101582563 1364634836 /nfs/dbraw/zinc/63/48/36/1364634836.db2.gz ZMEVJCSSMHYIGP-UHFFFAOYSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984834 1364800134 /nfs/dbraw/zinc/80/01/34/1364800134.db2.gz NSTOWJZQPJOEDS-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984834 1364800136 /nfs/dbraw/zinc/80/01/36/1364800136.db2.gz NSTOWJZQPJOEDS-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368092 1365026287 /nfs/dbraw/zinc/02/62/87/1365026287.db2.gz DKBZRRCVALZZOT-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368092 1365026290 /nfs/dbraw/zinc/02/62/90/1365026290.db2.gz DKBZRRCVALZZOT-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368092 1365026294 /nfs/dbraw/zinc/02/62/94/1365026294.db2.gz DKBZRRCVALZZOT-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596591 1365130456 /nfs/dbraw/zinc/13/04/56/1365130456.db2.gz NUKGVZFYZKAGRR-WOJBJXKFSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174563 1365420846 /nfs/dbraw/zinc/42/08/46/1365420846.db2.gz SFQDAPWEZDEELG-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174563 1365420849 /nfs/dbraw/zinc/42/08/49/1365420849.db2.gz SFQDAPWEZDEELG-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174563 1365420852 /nfs/dbraw/zinc/42/08/52/1365420852.db2.gz SFQDAPWEZDEELG-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185714 1365425220 /nfs/dbraw/zinc/42/52/20/1365425220.db2.gz MGPXELCZJJRANV-CEXWTWQISA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550575 1365629660 /nfs/dbraw/zinc/62/96/60/1365629660.db2.gz XLKZSJNVUOZZHC-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104291605 1365977822 /nfs/dbraw/zinc/97/78/22/1365977822.db2.gz PXUAAGMRICYWDX-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556585 1366529180 /nfs/dbraw/zinc/52/91/80/1366529180.db2.gz KOEPTIZBXZUBFC-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105571942 1366538668 /nfs/dbraw/zinc/53/86/68/1366538668.db2.gz CGYZUJLXBBGGAA-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575000 1366540116 /nfs/dbraw/zinc/54/01/16/1366540116.db2.gz OMOQPTNVSVRHDW-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578657 1366542172 /nfs/dbraw/zinc/54/21/72/1366542172.db2.gz DCIHCPDSZLWPAL-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107329316 1366929947 /nfs/dbraw/zinc/92/99/47/1366929947.db2.gz PZBATVZTDAYCNC-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329316 1366929950 /nfs/dbraw/zinc/92/99/50/1366929950.db2.gz PZBATVZTDAYCNC-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107329316 1366929951 /nfs/dbraw/zinc/92/99/51/1366929951.db2.gz PZBATVZTDAYCNC-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107401896 1366953317 /nfs/dbraw/zinc/95/33/17/1366953317.db2.gz FHGFZLUXIAYCBY-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107401896 1366953318 /nfs/dbraw/zinc/95/33/18/1366953318.db2.gz FHGFZLUXIAYCBY-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107401896 1366953320 /nfs/dbraw/zinc/95/33/20/1366953320.db2.gz FHGFZLUXIAYCBY-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189382882 1367007832 /nfs/dbraw/zinc/00/78/32/1367007832.db2.gz ZOPYIHPVKRLHHG-JENIJYKNSA-N 2 1 346.519 3.091 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001109305435 1367046890 /nfs/dbraw/zinc/04/68/90/1367046890.db2.gz IXCXWMQHPQXUFL-CXQPBAHBSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305435 1367046892 /nfs/dbraw/zinc/04/68/92/1367046892.db2.gz IXCXWMQHPQXUFL-CXQPBAHBSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001109305435 1367046895 /nfs/dbraw/zinc/04/68/95/1367046895.db2.gz IXCXWMQHPQXUFL-CXQPBAHBSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189770730 1367106104 /nfs/dbraw/zinc/10/61/04/1367106104.db2.gz BSNYKKPRJXAHMI-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246973 1367208600 /nfs/dbraw/zinc/20/86/00/1367208600.db2.gz IZNAHKVCZIOZFX-CEXWTWQISA-N 2 1 337.552 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190246973 1367208605 /nfs/dbraw/zinc/20/86/05/1367208605.db2.gz IZNAHKVCZIOZFX-CEXWTWQISA-N 2 1 337.552 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246973 1367208610 /nfs/dbraw/zinc/20/86/10/1367208610.db2.gz IZNAHKVCZIOZFX-CEXWTWQISA-N 2 1 337.552 3.220 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190655546 1367319358 /nfs/dbraw/zinc/31/93/58/1367319358.db2.gz QALBXEVNRGQCRB-QZTJIDSGSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190655546 1367319362 /nfs/dbraw/zinc/31/93/62/1367319362.db2.gz QALBXEVNRGQCRB-QZTJIDSGSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001109857791 1367363034 /nfs/dbraw/zinc/36/30/34/1367363034.db2.gz BNNJTOUXCCFOSR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857791 1367363041 /nfs/dbraw/zinc/36/30/41/1367363041.db2.gz BNNJTOUXCCFOSR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857791 1367363047 /nfs/dbraw/zinc/36/30/47/1367363047.db2.gz BNNJTOUXCCFOSR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542703 1367525249 /nfs/dbraw/zinc/52/52/49/1367525249.db2.gz HVJCBUVGOOPYKR-MOPGFXCFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704903 1367544499 /nfs/dbraw/zinc/54/44/99/1367544499.db2.gz UVRMHFOXLNFARW-BJLQDIEVSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192324181 1367751722 /nfs/dbraw/zinc/75/17/22/1367751722.db2.gz GEDOVHCMHKDXBP-OALUTQOASA-N 2 1 337.552 3.386 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110694806 1367933471 /nfs/dbraw/zinc/93/34/71/1367933471.db2.gz MSOSSBBRGCIJQP-YRXWBPOGSA-N 2 1 337.552 3.265 20 30 EGEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111775927 1368455995 /nfs/dbraw/zinc/45/59/95/1368455995.db2.gz HDIAPFSHZFAUPJ-ZJOUEHCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111775927 1368455998 /nfs/dbraw/zinc/45/59/98/1368455998.db2.gz HDIAPFSHZFAUPJ-ZJOUEHCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111775927 1368456000 /nfs/dbraw/zinc/45/60/00/1368456000.db2.gz HDIAPFSHZFAUPJ-ZJOUEHCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195846267 1368502598 /nfs/dbraw/zinc/50/25/98/1368502598.db2.gz SQTVVMRGCUEJMG-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001111890837 1368535810 /nfs/dbraw/zinc/53/58/10/1368535810.db2.gz BIBVBPQCOXHNFJ-DYXWJJEUSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001111921380 1368559871 /nfs/dbraw/zinc/55/98/71/1368559871.db2.gz IKAXFDRQEZIYHG-FPOVZHCZSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001111935819 1368566643 /nfs/dbraw/zinc/56/66/43/1368566643.db2.gz VPXAHRYIBWKGEM-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111938088 1368568077 /nfs/dbraw/zinc/56/80/77/1368568077.db2.gz KPTYCSPVMLJPLG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111938088 1368568081 /nfs/dbraw/zinc/56/80/81/1368568081.db2.gz KPTYCSPVMLJPLG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111938088 1368568084 /nfs/dbraw/zinc/56/80/84/1368568084.db2.gz KPTYCSPVMLJPLG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950928 1368571335 /nfs/dbraw/zinc/57/13/35/1368571335.db2.gz KGUCMUVNNGSOSF-BJLQDIEVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950928 1368571338 /nfs/dbraw/zinc/57/13/38/1368571338.db2.gz KGUCMUVNNGSOSF-BJLQDIEVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950928 1368571340 /nfs/dbraw/zinc/57/13/40/1368571340.db2.gz KGUCMUVNNGSOSF-BJLQDIEVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004897 1368608210 /nfs/dbraw/zinc/60/82/10/1368608210.db2.gz RABTYCAKFHRYTA-DYXWJJEUSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004898 1368608448 /nfs/dbraw/zinc/60/84/48/1368608448.db2.gz RABTYCAKFHRYTA-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197125852 1368749997 /nfs/dbraw/zinc/74/99/97/1368749997.db2.gz NAHJQLIAGWYDPJ-KRWDZBQOSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540464 1368920363 /nfs/dbraw/zinc/92/03/63/1368920363.db2.gz YHRRKQCRKVCDMF-ZVDOUQERSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112854968 1369048296 /nfs/dbraw/zinc/04/82/96/1369048296.db2.gz GBEBPTIOAKENPI-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001186605638 1387983565 /nfs/dbraw/zinc/98/35/65/1387983565.db2.gz RPTQTPRXQXQIPV-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001186606044 1387984953 /nfs/dbraw/zinc/98/49/53/1387984953.db2.gz ZXPXDHGRLJPYBH-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)CC1 ZINC001186606044 1387984957 /nfs/dbraw/zinc/98/49/57/1387984957.db2.gz ZXPXDHGRLJPYBH-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)CC1 ZINC001186606044 1387984961 /nfs/dbraw/zinc/98/49/61/1387984961.db2.gz ZXPXDHGRLJPYBH-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053834 1369473108 /nfs/dbraw/zinc/47/31/08/1369473108.db2.gz YYPIVXKZIRWUGI-PXNSSMCTSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144887 1369700404 /nfs/dbraw/zinc/70/04/04/1369700404.db2.gz MVTYIUNKSSCJIA-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577899 1370177507 /nfs/dbraw/zinc/17/75/07/1370177507.db2.gz UDHUFZRVBABURS-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001203763990 1370255313 /nfs/dbraw/zinc/25/53/13/1370255313.db2.gz RROUDBHCKOMZMT-UHFFFAOYSA-N 2 1 342.531 3.188 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536912 1370533400 /nfs/dbraw/zinc/53/34/00/1370533400.db2.gz MZBPEBHBNWMOJY-MOPGFXCFSA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001115545099 1370542183 /nfs/dbraw/zinc/54/21/83/1370542183.db2.gz QJOXIZSCXRCFRU-QGZVFWFLSA-N 2 1 346.519 3.381 20 30 EGEDMP N#Cc1ccc(Br)cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735560 1370559188 /nfs/dbraw/zinc/55/91/88/1370559188.db2.gz XMTHOMFUOSLOFS-UHFFFAOYSA-N 2 1 348.288 3.286 20 30 EGEDMP N#Cc1ccc(Br)cc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735560 1370559191 /nfs/dbraw/zinc/55/91/91/1370559191.db2.gz XMTHOMFUOSLOFS-UHFFFAOYSA-N 2 1 348.288 3.286 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563121 1370563218 /nfs/dbraw/zinc/56/32/18/1370563218.db2.gz QDPWGPXPJZXWKK-MRXNPFEDSA-N 2 1 341.927 3.022 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205627208 1370816323 /nfs/dbraw/zinc/81/63/23/1370816323.db2.gz NVZCKRJHDJOOSK-TZMCWYRMSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205654488 1370830306 /nfs/dbraw/zinc/83/03/06/1370830306.db2.gz XALKCAWJTGSFLK-JSGCOSHPSA-N 2 1 336.277 3.128 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc2)c1 ZINC001205768364 1370864712 /nfs/dbraw/zinc/86/47/12/1370864712.db2.gz FXXDCGAOCYEZKH-QGZVFWFLSA-N 2 1 342.393 3.036 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3CCC(F)(F)[C@H](C[NH3+])C3)cc2)c1 ZINC001205768364 1370864716 /nfs/dbraw/zinc/86/47/16/1370864716.db2.gz FXXDCGAOCYEZKH-QGZVFWFLSA-N 2 1 342.393 3.036 20 30 EGEDMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC001206311353 1371017603 /nfs/dbraw/zinc/01/76/03/1371017603.db2.gz MYNJOIPJFCETAL-MRXNPFEDSA-N 2 1 336.277 3.272 20 30 EGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)cc2C#N)CC1 ZINC001206311353 1371017607 /nfs/dbraw/zinc/01/76/07/1371017607.db2.gz MYNJOIPJFCETAL-MRXNPFEDSA-N 2 1 336.277 3.272 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206858188 1371192105 /nfs/dbraw/zinc/19/21/05/1371192105.db2.gz WVGUEMWFYOSDFI-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001207488194 1371411784 /nfs/dbraw/zinc/41/17/84/1371411784.db2.gz HUUNMPATPQIQTI-FQEVSTJZSA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431469 1371575511 /nfs/dbraw/zinc/57/55/11/1371575511.db2.gz UDWLSXMEPLEYRK-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431469 1371575515 /nfs/dbraw/zinc/57/55/15/1371575515.db2.gz UDWLSXMEPLEYRK-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431469 1371575518 /nfs/dbraw/zinc/57/55/18/1371575518.db2.gz UDWLSXMEPLEYRK-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049661 1371580556 /nfs/dbraw/zinc/58/05/56/1371580556.db2.gz PNNXPLMEBLLYKD-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459725 1371775727 /nfs/dbraw/zinc/77/57/27/1371775727.db2.gz HQTXWUFOUHYFKT-KRWDZBQOSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001120833890 1371778063 /nfs/dbraw/zinc/77/80/63/1371778063.db2.gz BULYJRVIHRXWPO-QAELIBMJSA-N 2 1 335.536 3.068 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121233289 1371901932 /nfs/dbraw/zinc/90/19/32/1371901932.db2.gz MMATVFFGPTWYCY-FCOWATRHSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204772 1372038121 /nfs/dbraw/zinc/03/81/21/1372038121.db2.gz LQRDSNMGTRFXQH-UXHICEINSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121774072 1372076779 /nfs/dbraw/zinc/07/67/79/1372076779.db2.gz XMJSTTSVOJPSCZ-SSBRDVDXSA-N 2 1 349.563 3.172 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215020260 1373157981 /nfs/dbraw/zinc/15/79/81/1373157981.db2.gz QNJRMJOKAJYBQX-ZHALLVOQSA-N 2 1 349.563 3.431 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132090009 1375140074 /nfs/dbraw/zinc/14/00/74/1375140074.db2.gz BYTNMHJFGANCJK-AEFFLSMTSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132090009 1375140077 /nfs/dbraw/zinc/14/00/77/1375140077.db2.gz BYTNMHJFGANCJK-AEFFLSMTSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132090009 1375140080 /nfs/dbraw/zinc/14/00/80/1375140080.db2.gz BYTNMHJFGANCJK-AEFFLSMTSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335180 1375315311 /nfs/dbraw/zinc/31/53/11/1375315311.db2.gz KPQLERXJIVIUJR-MSOLQXFVSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132335180 1375315315 /nfs/dbraw/zinc/31/53/15/1375315315.db2.gz KPQLERXJIVIUJR-MSOLQXFVSA-N 2 1 346.519 3.332 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132364224 1375327696 /nfs/dbraw/zinc/32/76/96/1375327696.db2.gz BDCDLOYSXSIHED-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132364224 1375327700 /nfs/dbraw/zinc/32/77/00/1375327700.db2.gz BDCDLOYSXSIHED-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132364224 1375327710 /nfs/dbraw/zinc/32/77/10/1375327710.db2.gz BDCDLOYSXSIHED-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419495 1375367278 /nfs/dbraw/zinc/36/72/78/1375367278.db2.gz CPVKBBCCKFUKJN-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132978637 1375692183 /nfs/dbraw/zinc/69/21/83/1375692183.db2.gz VHPJXFFYKHILBI-MJGOQNOKSA-N 2 1 346.519 3.012 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001133230966 1375856274 /nfs/dbraw/zinc/85/62/74/1375856274.db2.gz ZTVQAPXCVMJSLJ-OALUTQOASA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234265647 1376795842 /nfs/dbraw/zinc/79/58/42/1376795842.db2.gz KFTGESBTMROMIP-OALUTQOASA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234265647 1376795845 /nfs/dbraw/zinc/79/58/45/1376795845.db2.gz KFTGESBTMROMIP-OALUTQOASA-N 2 1 337.552 3.362 20 30 EGEDMP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135996849 1377293353 /nfs/dbraw/zinc/29/33/53/1377293353.db2.gz WNNPWPQNPJHLER-ZWKOTPCHSA-N 2 1 325.541 3.338 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001140547558 1378083310 /nfs/dbraw/zinc/08/33/10/1378083310.db2.gz UDBMPKQHNNWXRJ-RTWAWAEBSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001140547558 1378083312 /nfs/dbraw/zinc/08/33/12/1378083312.db2.gz UDBMPKQHNNWXRJ-RTWAWAEBSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001140547558 1378083314 /nfs/dbraw/zinc/08/33/14/1378083314.db2.gz UDBMPKQHNNWXRJ-RTWAWAEBSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140805059 1378144051 /nfs/dbraw/zinc/14/40/51/1378144051.db2.gz PYCAXBCOLAKRJG-SFHVURJKSA-N 2 1 332.407 3.478 20 30 EGEDMP N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140805059 1378144075 /nfs/dbraw/zinc/14/40/75/1378144075.db2.gz PYCAXBCOLAKRJG-SFHVURJKSA-N 2 1 332.407 3.478 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313488 1380053888 /nfs/dbraw/zinc/05/38/88/1380053888.db2.gz SQCJPLVHWPLWMW-MOPGFXCFSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313488 1380053890 /nfs/dbraw/zinc/05/38/90/1380053890.db2.gz SQCJPLVHWPLWMW-MOPGFXCFSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313488 1380053892 /nfs/dbraw/zinc/05/38/92/1380053892.db2.gz SQCJPLVHWPLWMW-MOPGFXCFSA-N 2 1 337.552 3.432 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153381711 1380068443 /nfs/dbraw/zinc/06/84/43/1380068443.db2.gz NVSIAXXNTIOORJ-IEBWSBKVSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158645868 1381335231 /nfs/dbraw/zinc/33/52/31/1381335231.db2.gz ASWIZBICVZIKBM-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP N#Cc1cc(Nc2ccc3c[nH+]ccc3c2)ccc1N1CC[NH2+]CC1 ZINC001159743130 1381886507 /nfs/dbraw/zinc/88/65/07/1381886507.db2.gz VGXLGUWNVHQTBG-UHFFFAOYSA-N 2 1 329.407 3.260 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160293045 1382063812 /nfs/dbraw/zinc/06/38/12/1382063812.db2.gz SCZFFZNGUZCCDU-UHFFFAOYSA-N 2 1 347.528 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353045 1382080973 /nfs/dbraw/zinc/08/09/73/1382080973.db2.gz OHULWHJXKXODTI-FQEVSTJZSA-N 2 1 347.547 3.069 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353045 1382080977 /nfs/dbraw/zinc/08/09/77/1382080977.db2.gz OHULWHJXKXODTI-FQEVSTJZSA-N 2 1 347.547 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353045 1382080981 /nfs/dbraw/zinc/08/09/81/1382080981.db2.gz OHULWHJXKXODTI-FQEVSTJZSA-N 2 1 347.547 3.069 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160985520 1382261456 /nfs/dbraw/zinc/26/14/56/1382261456.db2.gz FSFRMUUJEKXOJW-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985520 1382261461 /nfs/dbraw/zinc/26/14/61/1382261461.db2.gz FSFRMUUJEKXOJW-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985520 1382261464 /nfs/dbraw/zinc/26/14/64/1382261464.db2.gz FSFRMUUJEKXOJW-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161206715 1382340382 /nfs/dbraw/zinc/34/03/82/1382340382.db2.gz LBUAOHGNPDQIAT-AZUAARDMSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206715 1382340388 /nfs/dbraw/zinc/34/03/88/1382340388.db2.gz LBUAOHGNPDQIAT-AZUAARDMSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206715 1382340394 /nfs/dbraw/zinc/34/03/94/1382340394.db2.gz LBUAOHGNPDQIAT-AZUAARDMSA-N 2 1 347.547 3.069 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164576211 1383200564 /nfs/dbraw/zinc/20/05/64/1383200564.db2.gz PFOWMJZCHVIZFN-QZTJIDSGSA-N 2 1 337.552 3.173 20 30 EGEDMP C[C@H]1CC([NH2+]Cc2cncc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168024226 1383799722 /nfs/dbraw/zinc/79/97/22/1383799722.db2.gz CORACIZKURCWNF-IRXDYDNUSA-N 2 1 334.467 3.484 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC2([NH+]3CCCC3)COC2)cc1 ZINC001168450183 1383909584 /nfs/dbraw/zinc/90/95/84/1383909584.db2.gz IPEFCFKQXSABCR-HXUWFJFHSA-N 2 1 341.499 3.286 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001169144120 1384113808 /nfs/dbraw/zinc/11/38/08/1384113808.db2.gz JAOAWWIOKHNGQN-BCDXTJNWSA-N 2 1 325.456 3.027 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253800 1384479188 /nfs/dbraw/zinc/47/91/88/1384479188.db2.gz KZDVSLPROGMLFC-SFHVURJKSA-N 2 1 337.552 3.482 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc(C(F)(F)F)cc1)C2 ZINC001172102011 1384727367 /nfs/dbraw/zinc/72/73/67/1384727367.db2.gz JFZFCVFUHKLUNH-QKDCVEJESA-N 2 1 325.378 3.426 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172116975 1384732064 /nfs/dbraw/zinc/73/20/64/1384732064.db2.gz HSTKPTRSHSLXHQ-XDWAVFMPSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116975 1384732067 /nfs/dbraw/zinc/73/20/67/1384732067.db2.gz HSTKPTRSHSLXHQ-XDWAVFMPSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116975 1384732070 /nfs/dbraw/zinc/73/20/70/1384732070.db2.gz HSTKPTRSHSLXHQ-XDWAVFMPSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172116970 1384733251 /nfs/dbraw/zinc/73/32/51/1384733251.db2.gz HSTKPTRSHSLXHQ-FDKIHUSFSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116970 1384733254 /nfs/dbraw/zinc/73/32/54/1384733254.db2.gz HSTKPTRSHSLXHQ-FDKIHUSFSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116970 1384733257 /nfs/dbraw/zinc/73/32/57/1384733257.db2.gz HSTKPTRSHSLXHQ-FDKIHUSFSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172247301 1384755787 /nfs/dbraw/zinc/75/57/87/1384755787.db2.gz GOFPPKWLAJUXIM-KRWDZBQOSA-N 2 1 332.488 3.403 20 30 EGEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120201 1385489428 /nfs/dbraw/zinc/48/94/28/1385489428.db2.gz KKIMGYASMNFDTO-MJGOQNOKSA-N 2 1 331.504 3.130 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176591820 1385634559 /nfs/dbraw/zinc/63/45/59/1385634559.db2.gz QHAPYEBKMQZOEI-KRWDZBQOSA-N 2 1 334.508 3.203 20 30 EGEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001318990176 1385913679 /nfs/dbraw/zinc/91/36/79/1385913679.db2.gz GNQUDKPVNYCCDX-SFHVURJKSA-N 2 1 349.906 3.018 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177416128 1385949852 /nfs/dbraw/zinc/94/98/52/1385949852.db2.gz VGJIYLUXRCINNW-AZUAARDMSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177466982 1385967160 /nfs/dbraw/zinc/96/71/60/1385967160.db2.gz OELDIAZZDPOUTA-HXUWFJFHSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001177488784 1385975670 /nfs/dbraw/zinc/97/56/70/1385975670.db2.gz MMZHSWOOBPAGHM-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001178722133 1386290210 /nfs/dbraw/zinc/29/02/10/1386290210.db2.gz APYNVKJAAMBVDU-PMACEKPBSA-N 2 1 349.563 3.032 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)CC(C)C ZINC001178722133 1386290214 /nfs/dbraw/zinc/29/02/14/1386290214.db2.gz APYNVKJAAMBVDU-PMACEKPBSA-N 2 1 349.563 3.032 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736602 1386292744 /nfs/dbraw/zinc/29/27/44/1386292744.db2.gz ZAGCAFMCGFFONW-CADBVGFASA-N 2 1 337.552 3.266 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181728274 1387046977 /nfs/dbraw/zinc/04/69/77/1387046977.db2.gz KDFYSCXVSJGREB-SLYNCCJLSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001752811402 1440216650 /nfs/dbraw/zinc/21/66/50/1440216650.db2.gz NAGLGWZHGMJGDA-CTNGQTDRSA-N 2 1 347.547 3.047 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001752815996 1440217946 /nfs/dbraw/zinc/21/79/46/1440217946.db2.gz VQRJPJQLXLSUGA-QUCCMNQESA-N 2 1 343.515 3.084 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752971466 1440255043 /nfs/dbraw/zinc/25/50/43/1440255043.db2.gz MODYRFGWCBGIBN-SJORKVTESA-N 2 1 335.536 3.233 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001753062225 1440283852 /nfs/dbraw/zinc/28/38/52/1440283852.db2.gz ZCLSYBNNKPKSDK-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753062225 1440283853 /nfs/dbraw/zinc/28/38/53/1440283853.db2.gz ZCLSYBNNKPKSDK-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753062225 1440283854 /nfs/dbraw/zinc/28/38/54/1440283854.db2.gz ZCLSYBNNKPKSDK-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753472788 1440414470 /nfs/dbraw/zinc/41/44/70/1440414470.db2.gz BGJTVHCNRRSPDU-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC001753667751 1440460807 /nfs/dbraw/zinc/46/08/07/1440460807.db2.gz IMLXGILKGZEWOV-IBGZPJMESA-N 2 1 347.547 3.378 20 30 EGEDMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001754344237 1440589444 /nfs/dbraw/zinc/58/94/44/1440589444.db2.gz BTHRCGBRIOGSTF-MJGOQNOKSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CCCCCC1 ZINC001754547516 1440628222 /nfs/dbraw/zinc/62/82/22/1440628222.db2.gz GOXXDQJXSSCTQR-UHFFFAOYSA-N 2 1 335.536 3.189 20 30 EGEDMP C=CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCCC1 ZINC001754547695 1440628263 /nfs/dbraw/zinc/62/82/63/1440628263.db2.gz NJZYFNKRVIFLCX-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001754735515 1440682034 /nfs/dbraw/zinc/68/20/34/1440682034.db2.gz DPQMBEOAGFKKJQ-HXUWFJFHSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CC[NH2+]C1(CC)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001755070441 1440746452 /nfs/dbraw/zinc/74/64/52/1440746452.db2.gz GULOBAHMSDGRLM-UHFFFAOYSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001755079380 1440750340 /nfs/dbraw/zinc/75/03/40/1440750340.db2.gz IUSHNQLJACOJKR-OAQYLSRUSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001755102131 1440753254 /nfs/dbraw/zinc/75/32/54/1440753254.db2.gz IVOKBGCOFCNORG-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001755102131 1440753255 /nfs/dbraw/zinc/75/32/55/1440753255.db2.gz IVOKBGCOFCNORG-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001755102131 1440753256 /nfs/dbraw/zinc/75/32/56/1440753256.db2.gz IVOKBGCOFCNORG-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271954237 267179572 /nfs/dbraw/zinc/17/95/72/267179572.db2.gz PJLMAEOHPAZQGS-KPOBHBOGSA-N 2 1 345.462 3.116 20 30 EGEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104154954 454576488 /nfs/dbraw/zinc/57/64/88/454576488.db2.gz QEIYDECMIJWXSZ-KRWDZBQOSA-N 2 1 326.444 3.460 20 30 EGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246287698 455465162 /nfs/dbraw/zinc/46/51/62/455465162.db2.gz CTVONOVVEXVGIE-GUDVDZBRSA-N 2 1 340.515 3.110 20 30 EGEDMP COc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673276 455593510 /nfs/dbraw/zinc/59/35/10/455593510.db2.gz USDHMMPVQWYGSF-MAUKXSAKSA-N 2 1 327.472 3.309 20 30 EGEDMP COc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673276 455593514 /nfs/dbraw/zinc/59/35/14/455593514.db2.gz USDHMMPVQWYGSF-MAUKXSAKSA-N 2 1 327.472 3.309 20 30 EGEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CCCCC1 ZINC000262011165 455985031 /nfs/dbraw/zinc/98/50/31/455985031.db2.gz UCKHSOXEUGSUQM-OAHLLOKOSA-N 2 1 334.533 3.197 20 30 EGEDMP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270571948 455986029 /nfs/dbraw/zinc/98/60/29/455986029.db2.gz NGIREOMLECKRQM-CJNGLKHVSA-N 2 1 340.874 3.032 20 30 EGEDMP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273308389 456222707 /nfs/dbraw/zinc/22/27/07/456222707.db2.gz TUBJUSGKHQHIQZ-FUHWJXTLSA-N 2 1 327.472 3.332 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)ccc1OC ZINC000290622416 456385643 /nfs/dbraw/zinc/38/56/43/456385643.db2.gz XKECZFFDQZOPFF-AEFFLSMTSA-N 2 1 332.488 3.422 20 30 EGEDMP C=C(C)COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290622416 456385647 /nfs/dbraw/zinc/38/56/47/456385647.db2.gz XKECZFFDQZOPFF-AEFFLSMTSA-N 2 1 332.488 3.422 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290622416 456385652 /nfs/dbraw/zinc/38/56/52/456385652.db2.gz XKECZFFDQZOPFF-AEFFLSMTSA-N 2 1 332.488 3.422 20 30 EGEDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCc3ccc(C#N)cc32)C[C@H](C)O1 ZINC000353248503 456584890 /nfs/dbraw/zinc/58/48/90/456584890.db2.gz AXWTYVAVZUYUTJ-GQIGUUNPSA-N 2 1 327.472 3.025 20 30 EGEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133356 458014795 /nfs/dbraw/zinc/01/47/95/458014795.db2.gz IUAAJHIXWVFONT-QUCCMNQESA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133356 458014799 /nfs/dbraw/zinc/01/47/99/458014799.db2.gz IUAAJHIXWVFONT-QUCCMNQESA-N 2 1 327.472 3.285 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000414275948 458317523 /nfs/dbraw/zinc/31/75/23/458317523.db2.gz XHPLOKXZWOXNCV-MXEMCNAFSA-N 2 1 341.499 3.195 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000414275948 458317527 /nfs/dbraw/zinc/31/75/27/458317527.db2.gz XHPLOKXZWOXNCV-MXEMCNAFSA-N 2 1 341.499 3.195 20 30 EGEDMP C=CCOc1ccc(CNCc2cnc3n2CCCC3)cc1OC ZINC000376728097 458377240 /nfs/dbraw/zinc/37/72/40/458377240.db2.gz IQAZDVFBGXVFBA-UHFFFAOYSA-N 2 1 327.428 3.083 20 30 EGEDMP N#CCSCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377338289 458496854 /nfs/dbraw/zinc/49/68/54/458496854.db2.gz VZRBXMZWBSCABW-RTBURBONSA-N 2 1 329.513 3.087 20 30 EGEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377338289 458496857 /nfs/dbraw/zinc/49/68/57/458496857.db2.gz VZRBXMZWBSCABW-RTBURBONSA-N 2 1 329.513 3.087 20 30 EGEDMP N#CCSCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377338289 458496862 /nfs/dbraw/zinc/49/68/62/458496862.db2.gz VZRBXMZWBSCABW-RTBURBONSA-N 2 1 329.513 3.087 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(OC)c1O ZINC000424371289 458628309 /nfs/dbraw/zinc/62/83/09/458628309.db2.gz DLIGFOKEYUOMRT-HNNXBMFYSA-N 2 1 330.472 3.093 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000442781594 459035488 /nfs/dbraw/zinc/03/54/88/459035488.db2.gz JKUQNASMLAFRIN-PFRQMTDMSA-N 2 1 327.472 3.078 20 30 EGEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000598593865 459957622 /nfs/dbraw/zinc/95/76/22/459957622.db2.gz XPWOLXPYONZOBN-YZGWKJHDSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000598593865 459957626 /nfs/dbraw/zinc/95/76/26/459957626.db2.gz XPWOLXPYONZOBN-YZGWKJHDSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000598593865 459957629 /nfs/dbraw/zinc/95/76/29/459957629.db2.gz XPWOLXPYONZOBN-YZGWKJHDSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000598593865 459957632 /nfs/dbraw/zinc/95/76/32/459957632.db2.gz XPWOLXPYONZOBN-YZGWKJHDSA-N 2 1 343.515 3.272 20 30 EGEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000598614054 459961955 /nfs/dbraw/zinc/96/19/55/459961955.db2.gz AKOIPETYERTZCC-RBUKOAKNSA-N 2 1 343.515 3.177 20 30 EGEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000598614054 459961962 /nfs/dbraw/zinc/96/19/62/459961962.db2.gz AKOIPETYERTZCC-RBUKOAKNSA-N 2 1 343.515 3.177 20 30 EGEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000602611158 460020563 /nfs/dbraw/zinc/02/05/63/460020563.db2.gz WQHTYHLRMZZKSQ-VLCRHTCISA-N 2 1 346.478 3.344 20 30 EGEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000602611158 460020572 /nfs/dbraw/zinc/02/05/72/460020572.db2.gz WQHTYHLRMZZKSQ-VLCRHTCISA-N 2 1 346.478 3.344 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602688361 460066909 /nfs/dbraw/zinc/06/69/09/460066909.db2.gz AZMVMMIEASOVNT-MISYRCLQSA-N 2 1 329.488 3.053 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602688361 460066914 /nfs/dbraw/zinc/06/69/14/460066914.db2.gz AZMVMMIEASOVNT-MISYRCLQSA-N 2 1 329.488 3.053 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000153029343 526604807 /nfs/dbraw/zinc/60/48/07/526604807.db2.gz MNQNOIPTHMUJHP-INIZCTEOSA-N 2 1 345.487 3.042 20 30 EGEDMP CC[N@@H+](Cc1cc(C#N)n(C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191425129 528764520 /nfs/dbraw/zinc/76/45/20/528764520.db2.gz JRDFEBROUVIOED-IBGZPJMESA-N 2 1 336.483 3.241 20 30 EGEDMP CC[N@H+](Cc1cc(C#N)n(C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000191425129 528764523 /nfs/dbraw/zinc/76/45/23/528764523.db2.gz JRDFEBROUVIOED-IBGZPJMESA-N 2 1 336.483 3.241 20 30 EGEDMP CC[NH+](Cc1cc(C#N)n(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000191425129 528764527 /nfs/dbraw/zinc/76/45/27/528764527.db2.gz JRDFEBROUVIOED-IBGZPJMESA-N 2 1 336.483 3.241 20 30 EGEDMP CC[NH+](Cc1cc(C#N)n(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191425129 528764532 /nfs/dbraw/zinc/76/45/32/528764532.db2.gz JRDFEBROUVIOED-IBGZPJMESA-N 2 1 336.483 3.241 20 30 EGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093693528 1292931654 /nfs/dbraw/zinc/93/16/54/1292931654.db2.gz XKYWKFVYHSEURO-IBGZPJMESA-N 2 1 328.504 3.200 20 30 EGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093693528 1292931657 /nfs/dbraw/zinc/93/16/57/1292931657.db2.gz XKYWKFVYHSEURO-IBGZPJMESA-N 2 1 328.504 3.200 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000104181514 1293019601 /nfs/dbraw/zinc/01/96/01/1293019601.db2.gz UBTCPPLMSJAXTA-INIZCTEOSA-N 2 1 332.492 3.321 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)c(O)c(OC)c1 ZINC000164424751 1294347076 /nfs/dbraw/zinc/34/70/76/1294347076.db2.gz HMQVTRIKJZQCDW-KRWDZBQOSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)c(O)c(OC)c1 ZINC000164424751 1294347081 /nfs/dbraw/zinc/34/70/81/1294347081.db2.gz HMQVTRIKJZQCDW-KRWDZBQOSA-N 2 1 332.488 3.293 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000236688217 1296197429 /nfs/dbraw/zinc/19/74/29/1296197429.db2.gz NKYQBOFFTLKHNR-NRFANRHFSA-N 2 1 348.490 3.353 20 30 EGEDMP C#CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000236688217 1296197437 /nfs/dbraw/zinc/19/74/37/1296197437.db2.gz NKYQBOFFTLKHNR-NRFANRHFSA-N 2 1 348.490 3.353 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)NC1CCCC1 ZINC000262410609 1296630590 /nfs/dbraw/zinc/63/05/90/1296630590.db2.gz PFFKSWZVMPPSGL-WMLDXEAASA-N 2 1 334.533 3.239 20 30 EGEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N1CCCC1 ZINC000262457581 1296633305 /nfs/dbraw/zinc/63/33/05/1296633305.db2.gz HXUCPEWXXYGQGP-DOTOQJQBSA-N 2 1 334.533 3.192 20 30 EGEDMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000303894504 1296870642 /nfs/dbraw/zinc/87/06/42/1296870642.db2.gz OYELCUYMMBMNCC-INIZCTEOSA-N 2 1 328.504 3.414 20 30 EGEDMP COc1cccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000303900710 1296874780 /nfs/dbraw/zinc/87/47/80/1296874780.db2.gz WWWUMHYFWISFFX-GASCZTMLSA-N 2 1 332.492 3.178 20 30 EGEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+](C)Cc1ccccc1 ZINC000304753856 1296940289 /nfs/dbraw/zinc/94/02/89/1296940289.db2.gz LLBPVCCRAVYQIS-INIZCTEOSA-N 2 1 336.483 3.422 20 30 EGEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000304753856 1296940302 /nfs/dbraw/zinc/94/03/02/1296940302.db2.gz LLBPVCCRAVYQIS-INIZCTEOSA-N 2 1 336.483 3.422 20 30 EGEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCCCCC1)[NH+]1CCCC1 ZINC000305037941 1296953650 /nfs/dbraw/zinc/95/36/50/1296953650.db2.gz BUXGGPYMBCTFAU-SFHVURJKSA-N 2 1 344.503 3.023 20 30 EGEDMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000708588518 1298243346 /nfs/dbraw/zinc/24/33/46/1298243346.db2.gz WADXPASASXLLGS-DYESRHJHSA-N 2 1 349.478 3.425 20 30 EGEDMP C=CCc1cc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)cc(OC)c1OC ZINC000772952458 1303597393 /nfs/dbraw/zinc/59/73/93/1303597393.db2.gz FCKZTAISUZEVCD-YJBOKZPZSA-N 2 1 332.488 3.252 20 30 EGEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc(OC)c1OC ZINC000772952458 1303597405 /nfs/dbraw/zinc/59/74/05/1303597405.db2.gz FCKZTAISUZEVCD-YJBOKZPZSA-N 2 1 332.488 3.252 20 30 EGEDMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cc(C#N)ccc2Br)C1 ZINC000894495848 1308922094 /nfs/dbraw/zinc/92/20/94/1308922094.db2.gz LLJIPEPJAWHAIW-PBHICJAKSA-N 2 1 348.288 3.237 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561181 1317459062 /nfs/dbraw/zinc/45/90/62/1317459062.db2.gz IOPQWCXLYQLWSP-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)cc1 ZINC000809606088 1317842985 /nfs/dbraw/zinc/84/29/85/1317842985.db2.gz LXYGYZVEFPXFPP-UHFFFAOYSA-N 2 1 347.506 3.095 20 30 EGEDMP C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000904603217 1317867536 /nfs/dbraw/zinc/86/75/36/1317867536.db2.gz FCRQZWULJJTJFE-HNNXBMFYSA-N 2 1 330.432 3.033 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369585 1319482486 /nfs/dbraw/zinc/48/24/86/1319482486.db2.gz FKCXHPYYQKUHRU-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369585 1319482490 /nfs/dbraw/zinc/48/24/90/1319482490.db2.gz FKCXHPYYQKUHRU-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369585 1319482495 /nfs/dbraw/zinc/48/24/95/1319482495.db2.gz FKCXHPYYQKUHRU-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819079829 1319628585 /nfs/dbraw/zinc/62/85/85/1319628585.db2.gz WXFYCCWJNOLKPP-HTAPYJJXSA-N 2 1 349.478 3.407 20 30 EGEDMP N#CCCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000822765624 1320121752 /nfs/dbraw/zinc/12/17/52/1320121752.db2.gz BEIPINRKUDYLDU-MRXNPFEDSA-N 2 1 325.416 3.026 20 30 EGEDMP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 ZINC000850122961 1322194995 /nfs/dbraw/zinc/19/49/95/1322194995.db2.gz IMCFFLKCVPPLKW-UHFFFAOYSA-N 2 1 332.488 3.438 20 30 EGEDMP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093862 1323278390 /nfs/dbraw/zinc/27/83/90/1323278390.db2.gz SMTNABHVGFDOHL-FQEVSTJZSA-N 2 1 326.484 3.300 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024523885 1323471306 /nfs/dbraw/zinc/47/13/06/1323471306.db2.gz RLVCRQDHWMEXGU-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523885 1323471310 /nfs/dbraw/zinc/47/13/10/1323471310.db2.gz RLVCRQDHWMEXGU-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024523885 1323471315 /nfs/dbraw/zinc/47/13/15/1323471315.db2.gz RLVCRQDHWMEXGU-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024617858 1323546863 /nfs/dbraw/zinc/54/68/63/1323546863.db2.gz LZPWHJLGFLAWCG-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617858 1323546875 /nfs/dbraw/zinc/54/68/75/1323546875.db2.gz LZPWHJLGFLAWCG-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617858 1323546879 /nfs/dbraw/zinc/54/68/79/1323546879.db2.gz LZPWHJLGFLAWCG-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025287834 1324109842 /nfs/dbraw/zinc/10/98/42/1324109842.db2.gz QVJJPAJYUCWYPA-UXHICEINSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624071 1324475148 /nfs/dbraw/zinc/47/51/48/1324475148.db2.gz AYJJAXCJPWEOQH-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000964153046 1325483099 /nfs/dbraw/zinc/48/30/99/1325483099.db2.gz KQWWZXNOBTYQJQ-ACBHZAAOSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542342 1327844039 /nfs/dbraw/zinc/84/40/39/1327844039.db2.gz KISBTZYHTWNOIP-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542342 1327844042 /nfs/dbraw/zinc/84/40/42/1327844042.db2.gz KISBTZYHTWNOIP-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542342 1327844050 /nfs/dbraw/zinc/84/40/50/1327844050.db2.gz KISBTZYHTWNOIP-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699470 1328113372 /nfs/dbraw/zinc/11/33/72/1328113372.db2.gz DJOUXUSLVDGTQR-KRWDZBQOSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000948574354 1333582519 /nfs/dbraw/zinc/58/25/19/1333582519.db2.gz FPNVKKMAKNVLML-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574354 1333582522 /nfs/dbraw/zinc/58/25/22/1333582522.db2.gz FPNVKKMAKNVLML-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000948574354 1333582525 /nfs/dbraw/zinc/58/25/25/1333582525.db2.gz FPNVKKMAKNVLML-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214150 1344929818 /nfs/dbraw/zinc/92/98/18/1344929818.db2.gz NSDSZBFKWNXXLA-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214150 1344929819 /nfs/dbraw/zinc/92/98/19/1344929819.db2.gz NSDSZBFKWNXXLA-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214150 1344929820 /nfs/dbraw/zinc/92/98/20/1344929820.db2.gz NSDSZBFKWNXXLA-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039309287 1345007276 /nfs/dbraw/zinc/00/72/76/1345007276.db2.gz VDVJWMMRFYIKFN-RAFMOHDBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241307 1345391837 /nfs/dbraw/zinc/39/18/37/1345391837.db2.gz NCDPAQYPIHRZTG-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241307 1345391841 /nfs/dbraw/zinc/39/18/41/1345391841.db2.gz NCDPAQYPIHRZTG-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241307 1345391844 /nfs/dbraw/zinc/39/18/44/1345391844.db2.gz NCDPAQYPIHRZTG-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244055 1345393357 /nfs/dbraw/zinc/39/33/57/1345393357.db2.gz GRQWKPCNGKGLSI-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244055 1345393359 /nfs/dbraw/zinc/39/33/59/1345393359.db2.gz GRQWKPCNGKGLSI-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244055 1345393361 /nfs/dbraw/zinc/39/33/61/1345393361.db2.gz GRQWKPCNGKGLSI-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040874740 1345592058 /nfs/dbraw/zinc/59/20/58/1345592058.db2.gz KMIKOVXHUVSZBD-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953889 1345609637 /nfs/dbraw/zinc/60/96/37/1345609637.db2.gz SVHXNWZRXCUPDV-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726507 1345833587 /nfs/dbraw/zinc/83/35/87/1345833587.db2.gz ZMQSTPFLLJDEPA-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958272 1346793304 /nfs/dbraw/zinc/79/33/04/1346793304.db2.gz ODBUYTYCTHMNAD-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986356 1346827331 /nfs/dbraw/zinc/82/73/31/1346827331.db2.gz OHFGXSYSVWGFPR-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986356 1346827333 /nfs/dbraw/zinc/82/73/33/1346827333.db2.gz OHFGXSYSVWGFPR-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986356 1346827335 /nfs/dbraw/zinc/82/73/35/1346827335.db2.gz OHFGXSYSVWGFPR-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001045986357 1346827504 /nfs/dbraw/zinc/82/75/04/1346827504.db2.gz OHFGXSYSVWGFPR-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986357 1346827506 /nfs/dbraw/zinc/82/75/06/1346827506.db2.gz OHFGXSYSVWGFPR-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001045986357 1346827508 /nfs/dbraw/zinc/82/75/08/1346827508.db2.gz OHFGXSYSVWGFPR-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048540000 1347584224 /nfs/dbraw/zinc/58/42/24/1347584224.db2.gz WBQTXHZGNKFWHF-IYWMVGAKSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048540000 1347584225 /nfs/dbraw/zinc/58/42/25/1347584225.db2.gz WBQTXHZGNKFWHF-IYWMVGAKSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048540000 1347584227 /nfs/dbraw/zinc/58/42/27/1347584227.db2.gz WBQTXHZGNKFWHF-IYWMVGAKSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049664480 1347963428 /nfs/dbraw/zinc/96/34/28/1347963428.db2.gz QLEMOFGWESTVGS-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049664480 1347963429 /nfs/dbraw/zinc/96/34/29/1347963429.db2.gz QLEMOFGWESTVGS-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001049664480 1347963431 /nfs/dbraw/zinc/96/34/31/1347963431.db2.gz QLEMOFGWESTVGS-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050068087 1348171768 /nfs/dbraw/zinc/17/17/68/1348171768.db2.gz XGKQOXGLUVOIDI-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050068087 1348171769 /nfs/dbraw/zinc/17/17/69/1348171769.db2.gz XGKQOXGLUVOIDI-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050068087 1348171772 /nfs/dbraw/zinc/17/17/72/1348171772.db2.gz XGKQOXGLUVOIDI-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954073 1348768581 /nfs/dbraw/zinc/76/85/81/1348768581.db2.gz KRARHDVLWFNPED-SFHVURJKSA-N 2 1 349.906 3.085 20 30 EGEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001183239177 1387282988 /nfs/dbraw/zinc/28/29/88/1387282988.db2.gz AWHOHRZOGMLCKJ-UYAOXDASSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183516952 1387316148 /nfs/dbraw/zinc/31/61/48/1387316148.db2.gz HJHJKTVJJXUWER-UYAOXDASSA-N 2 1 339.568 3.371 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573010 1359536771 /nfs/dbraw/zinc/53/67/71/1359536771.db2.gz PJLJXXNQMASPPG-YSIASYRMSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573010 1359536775 /nfs/dbraw/zinc/53/67/75/1359536775.db2.gz PJLJXXNQMASPPG-YSIASYRMSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573010 1359536777 /nfs/dbraw/zinc/53/67/77/1359536777.db2.gz PJLJXXNQMASPPG-YSIASYRMSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087590643 1359546789 /nfs/dbraw/zinc/54/67/89/1359546789.db2.gz PWMKKHLDVRPUNM-DLBZAZTESA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H]1CC ZINC001087590643 1359546792 /nfs/dbraw/zinc/54/67/92/1359546792.db2.gz PWMKKHLDVRPUNM-DLBZAZTESA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089648528 1360561958 /nfs/dbraw/zinc/56/19/58/1360561958.db2.gz LYPHJZMGKVBNAP-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089648528 1360561960 /nfs/dbraw/zinc/56/19/60/1360561960.db2.gz LYPHJZMGKVBNAP-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089648528 1360561962 /nfs/dbraw/zinc/56/19/62/1360561962.db2.gz LYPHJZMGKVBNAP-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649501 1360562650 /nfs/dbraw/zinc/56/26/50/1360562650.db2.gz KLCGBSIFZWVUGJ-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649501 1360562652 /nfs/dbraw/zinc/56/26/52/1360562652.db2.gz KLCGBSIFZWVUGJ-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649501 1360562654 /nfs/dbraw/zinc/56/26/54/1360562654.db2.gz KLCGBSIFZWVUGJ-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001089649633 1360563099 /nfs/dbraw/zinc/56/30/99/1360563099.db2.gz MBDZTZYGZGKDQI-MOPGFXCFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649633 1360563101 /nfs/dbraw/zinc/56/31/01/1360563101.db2.gz MBDZTZYGZGKDQI-MOPGFXCFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001089649633 1360563103 /nfs/dbraw/zinc/56/31/03/1360563103.db2.gz MBDZTZYGZGKDQI-MOPGFXCFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718185 1360619879 /nfs/dbraw/zinc/61/98/79/1360619879.db2.gz LVIQVMXMUMKAGE-IBGZPJMESA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650749 1361432864 /nfs/dbraw/zinc/43/28/64/1361432864.db2.gz PCAWKCADKOXIGO-NVXWUHKLSA-N 2 1 349.544 3.074 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528888 1361845696 /nfs/dbraw/zinc/84/56/96/1361845696.db2.gz AEMUQHNBLJYPDO-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528888 1361845699 /nfs/dbraw/zinc/84/56/99/1361845699.db2.gz AEMUQHNBLJYPDO-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528888 1361845701 /nfs/dbraw/zinc/84/57/01/1361845701.db2.gz AEMUQHNBLJYPDO-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)C1CCCC1 ZINC001098827358 1363484411 /nfs/dbraw/zinc/48/44/11/1363484411.db2.gz UYHOAFGSMGCCDS-QUCCMNQESA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099529094 1363834426 /nfs/dbraw/zinc/83/44/26/1363834426.db2.gz LFVRQCJPPBCLPQ-MUGJNUQGSA-N 2 1 349.563 3.077 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319418 1364079426 /nfs/dbraw/zinc/07/94/26/1364079426.db2.gz LIPOZERVOBCOHN-ACBHZAAOSA-N 2 1 335.536 3.090 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100900117 1364321402 /nfs/dbraw/zinc/32/14/02/1364321402.db2.gz QYQSTNNZSFDHFU-UHFFFAOYSA-N 2 1 325.541 3.173 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185306350 1387677613 /nfs/dbraw/zinc/67/76/13/1387677613.db2.gz KRQDREJDFQERQB-MJGOQNOKSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101353797 1364523396 /nfs/dbraw/zinc/52/33/96/1364523396.db2.gz FITDLWCDHPLLJA-SBHAEUEKSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101540854 1364606921 /nfs/dbraw/zinc/60/69/21/1364606921.db2.gz XJXWQETUTJRERY-LJQANCHMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101575176 1364628953 /nfs/dbraw/zinc/62/89/53/1364628953.db2.gz XGOBHXPAULYCCJ-PKOBYXMFSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601488 1365131309 /nfs/dbraw/zinc/13/13/09/1365131309.db2.gz FTNFBCXMOVFPGD-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103139897 1365403775 /nfs/dbraw/zinc/40/37/75/1365403775.db2.gz CXUNXOHGETZHHX-GUDVDZBRSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103148245 1365409602 /nfs/dbraw/zinc/40/96/02/1365409602.db2.gz TUHMQSLWUPUCFP-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103148245 1365409605 /nfs/dbraw/zinc/40/96/05/1365409605.db2.gz TUHMQSLWUPUCFP-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103148245 1365409608 /nfs/dbraw/zinc/40/96/08/1365409608.db2.gz TUHMQSLWUPUCFP-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001103168337 1365418856 /nfs/dbraw/zinc/41/88/56/1365418856.db2.gz FECMLOLVFBQXDZ-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001103168337 1365418859 /nfs/dbraw/zinc/41/88/59/1365418859.db2.gz FECMLOLVFBQXDZ-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001103168337 1365418861 /nfs/dbraw/zinc/41/88/61/1365418861.db2.gz FECMLOLVFBQXDZ-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612735 1365676021 /nfs/dbraw/zinc/67/60/21/1365676021.db2.gz RRLSLMVVEYXHOK-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612735 1365676024 /nfs/dbraw/zinc/67/60/24/1365676024.db2.gz RRLSLMVVEYXHOK-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612735 1365676025 /nfs/dbraw/zinc/67/60/25/1365676025.db2.gz RRLSLMVVEYXHOK-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001103631686 1365690277 /nfs/dbraw/zinc/69/02/77/1365690277.db2.gz YOVYQGGCNWNLJP-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001103631686 1365690279 /nfs/dbraw/zinc/69/02/79/1365690279.db2.gz YOVYQGGCNWNLJP-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001103631686 1365690281 /nfs/dbraw/zinc/69/02/81/1365690281.db2.gz YOVYQGGCNWNLJP-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213827 1365954682 /nfs/dbraw/zinc/95/46/82/1365954682.db2.gz SJMMMCVSRAQHPC-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211250 1366624861 /nfs/dbraw/zinc/62/48/61/1366624861.db2.gz XTFJXFJZPARLHB-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190323690 1367226651 /nfs/dbraw/zinc/22/66/51/1367226651.db2.gz BODDJRBIEHXSRH-VQTJNVASSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724479 1367293617 /nfs/dbraw/zinc/29/36/17/1367293617.db2.gz VJRJOJQOKAZRRP-BDXSIMOUSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724479 1367293619 /nfs/dbraw/zinc/29/36/19/1367293619.db2.gz VJRJOJQOKAZRRP-BDXSIMOUSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724479 1367293623 /nfs/dbraw/zinc/29/36/23/1367293623.db2.gz VJRJOJQOKAZRRP-BDXSIMOUSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800780 1367328271 /nfs/dbraw/zinc/32/82/71/1367328271.db2.gz QVUJWGQSLXLJSS-SQNIBIBYSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800780 1367328275 /nfs/dbraw/zinc/32/82/75/1367328275.db2.gz QVUJWGQSLXLJSS-SQNIBIBYSA-N 2 1 344.503 3.084 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744551 1367341286 /nfs/dbraw/zinc/34/12/86/1367341286.db2.gz RNDGKSIULBCCAF-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190744551 1367341289 /nfs/dbraw/zinc/34/12/89/1367341289.db2.gz RNDGKSIULBCCAF-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190744551 1367341292 /nfs/dbraw/zinc/34/12/92/1367341292.db2.gz RNDGKSIULBCCAF-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019479 1367460878 /nfs/dbraw/zinc/46/08/78/1367460878.db2.gz ZNEUQVKPPBKCQA-QYZOEREBSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110019479 1367460881 /nfs/dbraw/zinc/46/08/81/1367460881.db2.gz ZNEUQVKPPBKCQA-QYZOEREBSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110019479 1367460885 /nfs/dbraw/zinc/46/08/85/1367460885.db2.gz ZNEUQVKPPBKCQA-QYZOEREBSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351925 1367482789 /nfs/dbraw/zinc/48/27/89/1367482789.db2.gz OJROLLZTAQATEB-IBGZPJMESA-N 2 1 342.487 3.451 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950574 1367647757 /nfs/dbraw/zinc/64/77/57/1367647757.db2.gz URZKMXIBKGYNSD-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191950574 1367647764 /nfs/dbraw/zinc/64/77/64/1367647764.db2.gz URZKMXIBKGYNSD-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191950574 1367647766 /nfs/dbraw/zinc/64/77/66/1367647766.db2.gz URZKMXIBKGYNSD-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406109 1367774301 /nfs/dbraw/zinc/77/43/01/1367774301.db2.gz BFFTXCBHSKTIRC-SFHVURJKSA-N 2 1 339.568 3.467 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406109 1367774305 /nfs/dbraw/zinc/77/43/05/1367774305.db2.gz BFFTXCBHSKTIRC-SFHVURJKSA-N 2 1 339.568 3.467 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406109 1367774314 /nfs/dbraw/zinc/77/43/14/1367774314.db2.gz BFFTXCBHSKTIRC-SFHVURJKSA-N 2 1 339.568 3.467 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771463 1367971538 /nfs/dbraw/zinc/97/15/38/1367971538.db2.gz TZXDYTQQMNIPQK-WLWJZTKJSA-N 2 1 338.455 3.024 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001110771462 1367972068 /nfs/dbraw/zinc/97/20/68/1367972068.db2.gz TZXDYTQQMNIPQK-OPNNQBFTSA-N 2 1 338.455 3.024 20 30 EGEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193424535 1368027412 /nfs/dbraw/zinc/02/74/12/1368027412.db2.gz MUDMVRTUDNWLLR-QGZVFWFLSA-N 2 1 343.943 3.174 20 30 EGEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193424535 1368027418 /nfs/dbraw/zinc/02/74/18/1368027418.db2.gz MUDMVRTUDNWLLR-QGZVFWFLSA-N 2 1 343.943 3.174 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018365 1368536765 /nfs/dbraw/zinc/53/67/65/1368536765.db2.gz PXGPELPGUABDLZ-MRXNPFEDSA-N 2 1 349.544 3.312 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001196018365 1368536768 /nfs/dbraw/zinc/53/67/68/1368536768.db2.gz PXGPELPGUABDLZ-MRXNPFEDSA-N 2 1 349.544 3.312 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001111903554 1368546794 /nfs/dbraw/zinc/54/67/94/1368546794.db2.gz CUEMSAWMICZHPO-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111903554 1368546799 /nfs/dbraw/zinc/54/67/99/1368546799.db2.gz CUEMSAWMICZHPO-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111903554 1368546805 /nfs/dbraw/zinc/54/68/05/1368546805.db2.gz CUEMSAWMICZHPO-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001197141522 1368753542 /nfs/dbraw/zinc/75/35/42/1368753542.db2.gz IDEDFJGBLCOCPI-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001112854982 1369048232 /nfs/dbraw/zinc/04/82/32/1369048232.db2.gz GIWSKGKNUFYAPZ-UHFFFAOYSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001112854967 1369048584 /nfs/dbraw/zinc/04/85/84/1369048584.db2.gz GBEBPTIOAKENPI-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201052479 1369472489 /nfs/dbraw/zinc/47/24/89/1369472489.db2.gz FXAUSNZVHFDTAO-SFHVURJKSA-N 2 1 344.503 3.088 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202764461 1369882671 /nfs/dbraw/zinc/88/26/71/1369882671.db2.gz MVQABGAAGXAZHQ-PKOBYXMFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001114402815 1369933778 /nfs/dbraw/zinc/93/37/78/1369933778.db2.gz IQFZHZPVQHVTSG-BNDYYXHWSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001114402815 1369933783 /nfs/dbraw/zinc/93/37/83/1369933783.db2.gz IQFZHZPVQHVTSG-BNDYYXHWSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001114402815 1369933786 /nfs/dbraw/zinc/93/37/86/1369933786.db2.gz IQFZHZPVQHVTSG-BNDYYXHWSA-N 2 1 347.547 3.042 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203026971 1369958915 /nfs/dbraw/zinc/95/89/15/1369958915.db2.gz BDPNMBZYFGCGDZ-MOPGFXCFSA-N 2 1 349.563 3.458 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203102318 1369983818 /nfs/dbraw/zinc/98/38/18/1369983818.db2.gz HYGMTLYLGOYGBL-MSOLQXFVSA-N 2 1 347.547 3.233 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730376 1370712779 /nfs/dbraw/zinc/71/27/79/1370712779.db2.gz HMPCGOJRFKPVKV-UHFFFAOYSA-N 2 1 335.536 3.093 20 30 EGEDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)s2)CC[C@@H]1F ZINC001206173909 1370980101 /nfs/dbraw/zinc/98/01/01/1370980101.db2.gz KPMHPHOTZFEKMT-RBUKOAKNSA-N 2 1 328.456 3.409 20 30 EGEDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)CC[C@@H]1F ZINC001206173909 1370980103 /nfs/dbraw/zinc/98/01/03/1370980103.db2.gz KPMHPHOTZFEKMT-RBUKOAKNSA-N 2 1 328.456 3.409 20 30 EGEDMP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)ccc2C#N)CC1 ZINC001206312017 1371018136 /nfs/dbraw/zinc/01/81/36/1371018136.db2.gz YBLLLHIBJFRLLU-MRXNPFEDSA-N 2 1 336.277 3.272 20 30 EGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)ccc2C#N)CC1 ZINC001206312017 1371018140 /nfs/dbraw/zinc/01/81/40/1371018140.db2.gz YBLLLHIBJFRLLU-MRXNPFEDSA-N 2 1 336.277 3.272 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953469 1371244021 /nfs/dbraw/zinc/24/40/21/1371244021.db2.gz MJSYKIBCCNAFLC-HXUWFJFHSA-N 2 1 343.515 3.084 20 30 EGEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CCCCC1 ZINC001119989442 1371444474 /nfs/dbraw/zinc/44/44/74/1371444474.db2.gz MTAHJJQYTMBCJJ-IBGZPJMESA-N 2 1 347.547 3.073 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430702 1371573873 /nfs/dbraw/zinc/57/38/73/1371573873.db2.gz MKRCJTQDBLDKJU-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430703 1371574531 /nfs/dbraw/zinc/57/45/31/1371574531.db2.gz MKRCJTQDBLDKJU-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250986 1372051073 /nfs/dbraw/zinc/05/10/73/1372051073.db2.gz LBQVUVKXLBVKJZ-FHWLQOOXSA-N 2 1 335.536 3.044 20 30 EGEDMP C#CCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209267426 1372054454 /nfs/dbraw/zinc/05/44/54/1372054454.db2.gz PVFYAPRXUNLQPP-FQEVSTJZSA-N 2 1 326.484 3.155 20 30 EGEDMP C#CCCC[N@@H+]1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001209267469 1372055015 /nfs/dbraw/zinc/05/50/15/1372055015.db2.gz QZMZWKZSOOHUGK-SFHVURJKSA-N 2 1 333.426 3.028 20 30 EGEDMP C#CCCC[N@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209267469 1372055020 /nfs/dbraw/zinc/05/50/20/1372055020.db2.gz QZMZWKZSOOHUGK-SFHVURJKSA-N 2 1 333.426 3.028 20 30 EGEDMP C#CCCC[N@@H+]1CCC(F)(F)[C@@]2(CC[NH+](Cc3ccccn3)C2)C1 ZINC001209267469 1372055023 /nfs/dbraw/zinc/05/50/23/1372055023.db2.gz QZMZWKZSOOHUGK-SFHVURJKSA-N 2 1 333.426 3.028 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001122248037 1372211723 /nfs/dbraw/zinc/21/17/23/1372211723.db2.gz CCOBPJJPIPQBLJ-UHFFFAOYSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210180021 1372289116 /nfs/dbraw/zinc/28/91/16/1372289116.db2.gz WLTJBUPVAWINES-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210180021 1372289121 /nfs/dbraw/zinc/28/91/21/1372289121.db2.gz WLTJBUPVAWINES-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001210180021 1372289123 /nfs/dbraw/zinc/28/91/23/1372289123.db2.gz WLTJBUPVAWINES-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001221662316 1373786830 /nfs/dbraw/zinc/78/68/30/1373786830.db2.gz HTTXKMNQUHBTBL-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001221662316 1373786831 /nfs/dbraw/zinc/78/68/31/1373786831.db2.gz HTTXKMNQUHBTBL-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001221662316 1373786834 /nfs/dbraw/zinc/78/68/34/1373786834.db2.gz HTTXKMNQUHBTBL-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211719 1375211657 /nfs/dbraw/zinc/21/16/57/1375211657.db2.gz QMMYFFHCYSCUGZ-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226334719 1375242623 /nfs/dbraw/zinc/24/26/23/1375242623.db2.gz YZHCSOSGTFZHIW-NCXUSEDFSA-N 2 1 337.552 3.314 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226775005 1375331015 /nfs/dbraw/zinc/33/10/15/1375331015.db2.gz PHZUMPDUMBFYNP-VAMGGRTRSA-N 2 1 347.547 3.377 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001227818332 1375479305 /nfs/dbraw/zinc/47/93/05/1375479305.db2.gz VDVMUWURLNBMHI-SFHVURJKSA-N 2 1 346.519 3.312 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228602283 1375612942 /nfs/dbraw/zinc/61/29/42/1375612942.db2.gz HCLAISNXVOUDMI-GUDVDZBRSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941267 1375659895 /nfs/dbraw/zinc/65/98/95/1375659895.db2.gz JBTRSYNFHVPSKJ-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001228931990 1375718702 /nfs/dbraw/zinc/71/87/02/1375718702.db2.gz ITRVEHGEFXEWQP-GUDVDZBRSA-N 2 1 335.536 3.233 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001228932757 1375720273 /nfs/dbraw/zinc/72/02/73/1375720273.db2.gz UZONZGXSOPJDKU-GUDVDZBRSA-N 2 1 335.536 3.233 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126270 1376381990 /nfs/dbraw/zinc/38/19/90/1376381990.db2.gz IVPAQFASWVBKCO-UXHICEINSA-N 2 1 345.531 3.008 20 30 EGEDMP N#Cc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001232927876 1376538090 /nfs/dbraw/zinc/53/80/90/1376538090.db2.gz JRBXAQINKMWXOD-PMACEKPBSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001232927876 1376538109 /nfs/dbraw/zinc/53/81/09/1376538109.db2.gz JRBXAQINKMWXOD-PMACEKPBSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001232927876 1376538117 /nfs/dbraw/zinc/53/81/17/1376538117.db2.gz JRBXAQINKMWXOD-PMACEKPBSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001232927880 1376538825 /nfs/dbraw/zinc/53/88/25/1376538825.db2.gz JRBXAQINKMWXOD-VQTJNVASSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001232927880 1376538826 /nfs/dbraw/zinc/53/88/26/1376538826.db2.gz JRBXAQINKMWXOD-VQTJNVASSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC001232927880 1376538830 /nfs/dbraw/zinc/53/88/30/1376538830.db2.gz JRBXAQINKMWXOD-VQTJNVASSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001232927878 1376539305 /nfs/dbraw/zinc/53/93/05/1376539305.db2.gz JRBXAQINKMWXOD-UXHICEINSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001232927878 1376539310 /nfs/dbraw/zinc/53/93/10/1376539310.db2.gz JRBXAQINKMWXOD-UXHICEINSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)n1 ZINC001232927878 1376539313 /nfs/dbraw/zinc/53/93/13/1376539313.db2.gz JRBXAQINKMWXOD-UXHICEINSA-N 2 1 346.478 3.297 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791098 1376723842 /nfs/dbraw/zinc/72/38/42/1376723842.db2.gz NUNRWFVJHKMBTH-DLBZAZTESA-N 2 1 337.552 3.479 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140801596 1378142171 /nfs/dbraw/zinc/14/21/71/1378142171.db2.gz SUMGAUWWFPBHBT-VQTJNVASSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801596 1378142173 /nfs/dbraw/zinc/14/21/73/1378142173.db2.gz SUMGAUWWFPBHBT-VQTJNVASSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801596 1378142179 /nfs/dbraw/zinc/14/21/79/1378142179.db2.gz SUMGAUWWFPBHBT-VQTJNVASSA-N 2 1 341.455 3.137 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541110 1379039556 /nfs/dbraw/zinc/03/95/56/1379039556.db2.gz IHMHNUDNSUXRED-IBGZPJMESA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541110 1379039559 /nfs/dbraw/zinc/03/95/59/1379039559.db2.gz IHMHNUDNSUXRED-IBGZPJMESA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001147541110 1379039562 /nfs/dbraw/zinc/03/95/62/1379039562.db2.gz IHMHNUDNSUXRED-IBGZPJMESA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147742310 1379070289 /nfs/dbraw/zinc/07/02/89/1379070289.db2.gz GKFOROQQNOKBFB-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742310 1379070293 /nfs/dbraw/zinc/07/02/93/1379070293.db2.gz GKFOROQQNOKBFB-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147742310 1379070298 /nfs/dbraw/zinc/07/02/98/1379070298.db2.gz GKFOROQQNOKBFB-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148386694 1379161933 /nfs/dbraw/zinc/16/19/33/1379161933.db2.gz ZHWVZLRZBIIWPV-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386694 1379161935 /nfs/dbraw/zinc/16/19/35/1379161935.db2.gz ZHWVZLRZBIIWPV-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386694 1379161936 /nfs/dbraw/zinc/16/19/36/1379161936.db2.gz ZHWVZLRZBIIWPV-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827957 1379278117 /nfs/dbraw/zinc/27/81/17/1379278117.db2.gz SYVGYFCTXMWHPS-UHFFFAOYSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153361603 1380064074 /nfs/dbraw/zinc/06/40/74/1380064074.db2.gz AUOKGNOGVJOKJK-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153361603 1380064079 /nfs/dbraw/zinc/06/40/79/1380064079.db2.gz AUOKGNOGVJOKJK-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153361603 1380064083 /nfs/dbraw/zinc/06/40/83/1380064083.db2.gz AUOKGNOGVJOKJK-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580586 1380309863 /nfs/dbraw/zinc/30/98/63/1380309863.db2.gz XVSKCTHODPNWHP-GOSISDBHSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001156305559 1380555191 /nfs/dbraw/zinc/55/51/91/1380555191.db2.gz CMJIJSSSOLICMT-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156305559 1380555192 /nfs/dbraw/zinc/55/51/92/1380555192.db2.gz CMJIJSSSOLICMT-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156305559 1380555196 /nfs/dbraw/zinc/55/51/96/1380555196.db2.gz CMJIJSSSOLICMT-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](CCC)CCC ZINC001156319192 1380557964 /nfs/dbraw/zinc/55/79/64/1380557964.db2.gz PSEJCWWXYFNMBZ-QGZVFWFLSA-N 2 1 345.959 3.468 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](CCC)CCC ZINC001156319192 1380557965 /nfs/dbraw/zinc/55/79/65/1380557965.db2.gz PSEJCWWXYFNMBZ-QGZVFWFLSA-N 2 1 345.959 3.468 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157109954 1380779115 /nfs/dbraw/zinc/77/91/15/1380779115.db2.gz WKIMZJPSWSOUHB-SJORKVTESA-N 2 1 343.943 3.076 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157109954 1380779117 /nfs/dbraw/zinc/77/91/17/1380779117.db2.gz WKIMZJPSWSOUHB-SJORKVTESA-N 2 1 343.943 3.076 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158227826 1381167604 /nfs/dbraw/zinc/16/76/04/1381167604.db2.gz QZEWHRNINRMBBF-LJQANCHMSA-N 2 1 340.471 3.227 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001158781752 1381396533 /nfs/dbraw/zinc/39/65/33/1381396533.db2.gz RAQXXLIDADADNX-RBUKOAKNSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158781752 1381396540 /nfs/dbraw/zinc/39/65/40/1381396540.db2.gz RAQXXLIDADADNX-RBUKOAKNSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CCC ZINC001158781752 1381396547 /nfs/dbraw/zinc/39/65/47/1381396547.db2.gz RAQXXLIDADADNX-RBUKOAKNSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400458 1382094942 /nfs/dbraw/zinc/09/49/42/1382094942.db2.gz RLALXRRWLFJIDU-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400458 1382094945 /nfs/dbraw/zinc/09/49/45/1382094945.db2.gz RLALXRRWLFJIDU-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400458 1382094948 /nfs/dbraw/zinc/09/49/48/1382094948.db2.gz RLALXRRWLFJIDU-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383342 1382392045 /nfs/dbraw/zinc/39/20/45/1382392045.db2.gz SKLWTBHGWLFECJ-UHFFFAOYSA-N 2 1 344.503 3.111 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383342 1382392046 /nfs/dbraw/zinc/39/20/46/1382392046.db2.gz SKLWTBHGWLFECJ-UHFFFAOYSA-N 2 1 344.503 3.111 20 30 EGEDMP N#Cc1c2c(c[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1)CCN2Cc1ccccc1 ZINC001162393339 1382746701 /nfs/dbraw/zinc/74/67/01/1382746701.db2.gz JZYWRJOCUVIXOG-ZWKOTPCHSA-N 2 1 347.466 3.198 20 30 EGEDMP C[NH+](C)C1(CNc2cc(CC#N)cc3ccccc32)CC[NH+](C)CC1 ZINC001164216665 1383166872 /nfs/dbraw/zinc/16/68/72/1383166872.db2.gz HILVAJFCRRMRKE-UHFFFAOYSA-N 2 1 336.483 3.344 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164537001 1383197436 /nfs/dbraw/zinc/19/74/36/1383197436.db2.gz ZLQYRZWTMREPGN-GOSISDBHSA-N 2 1 347.547 3.093 20 30 EGEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001167475137 1383645098 /nfs/dbraw/zinc/64/50/98/1383645098.db2.gz WNORZFXESJNKNP-UHFFFAOYSA-N 2 1 343.943 3.127 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170788141 1384385813 /nfs/dbraw/zinc/38/58/13/1384385813.db2.gz ZMGRZJPOGQNXCK-RBUKOAKNSA-N 2 1 349.563 3.482 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201082 1384467442 /nfs/dbraw/zinc/46/74/42/1384467442.db2.gz HNJKMBMDMLJZHD-NSISKUIASA-N 2 1 341.499 3.240 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001171254855 1384479965 /nfs/dbraw/zinc/47/99/65/1384479965.db2.gz VDJIJXGARAWWPM-IRXDYDNUSA-N 2 1 343.943 3.266 20 30 EGEDMP C=CCOC1CCC([N@H+](C2CCOCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173318092 1384956836 /nfs/dbraw/zinc/95/68/36/1384956836.db2.gz UUCTZQDLBXCGIP-USZBZKHASA-N 2 1 336.520 3.251 20 30 EGEDMP N#CCC1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001173334488 1384960571 /nfs/dbraw/zinc/96/05/71/1384960571.db2.gz SZJYTEDNMWGBBE-UHFFFAOYSA-N 2 1 327.472 3.419 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175295215 1385242701 /nfs/dbraw/zinc/24/27/01/1385242701.db2.gz DPPBAMPZKVQPAR-LJQANCHMSA-N 2 1 345.531 3.002 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529185 1385322958 /nfs/dbraw/zinc/32/29/58/1385322958.db2.gz QTHDLTZCSNAICJ-QGZVFWFLSA-N 2 1 334.508 3.237 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001175740706 1385391730 /nfs/dbraw/zinc/39/17/30/1385391730.db2.gz UKGQZZNVWJLRHK-SFHVURJKSA-N 2 1 325.541 3.339 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001177317045 1385911592 /nfs/dbraw/zinc/91/15/92/1385911592.db2.gz OAIDRFAAFCTVOQ-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001177342400 1385921083 /nfs/dbraw/zinc/92/10/83/1385921083.db2.gz MNBBATPQDQLKEN-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177415859 1385948426 /nfs/dbraw/zinc/94/84/26/1385948426.db2.gz MJZFOFDVNBJCHQ-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001177434195 1385956231 /nfs/dbraw/zinc/95/62/31/1385956231.db2.gz SDSRMUGBCBSUOC-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440933 1385958251 /nfs/dbraw/zinc/95/82/51/1385958251.db2.gz UUDOBIXVVLSNQN-VQTJNVASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698356 1386281664 /nfs/dbraw/zinc/28/16/64/1386281664.db2.gz DZJZWBLXPIKKJN-MSOLQXFVSA-N 2 1 346.519 3.381 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179590296 1386525100 /nfs/dbraw/zinc/52/51/00/1386525100.db2.gz HBLNKUVUIHEKED-IBGZPJMESA-N 2 1 341.515 3.041 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179590297 1386525181 /nfs/dbraw/zinc/52/51/81/1386525181.db2.gz HBLNKUVUIHEKED-LJQANCHMSA-N 2 1 341.515 3.041 20 30 EGEDMP CCCCCCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274694 1386751833 /nfs/dbraw/zinc/75/18/33/1386751833.db2.gz RIDWQJBEHPVMCS-UHFFFAOYSA-N 2 1 336.524 3.428 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181727705 1387046888 /nfs/dbraw/zinc/04/68/88/1387046888.db2.gz CHKRERJJDXDZBW-YFVAEKQCSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481536938 1394395858 /nfs/dbraw/zinc/39/58/58/1394395858.db2.gz XHOZYHQCFHSLTC-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481536938 1394395864 /nfs/dbraw/zinc/39/58/64/1394395864.db2.gz XHOZYHQCFHSLTC-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481536938 1394395870 /nfs/dbraw/zinc/39/58/70/1394395870.db2.gz XHOZYHQCFHSLTC-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001752543914 1440194854 /nfs/dbraw/zinc/19/48/54/1440194854.db2.gz WSRLUKRQGZWVEI-QRQLOZEOSA-N 2 1 344.503 3.002 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001752543914 1440194855 /nfs/dbraw/zinc/19/48/55/1440194855.db2.gz WSRLUKRQGZWVEI-QRQLOZEOSA-N 2 1 344.503 3.002 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001752706658 1440202869 /nfs/dbraw/zinc/20/28/69/1440202869.db2.gz IPVQXZMVHIQMSG-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001752706658 1440202870 /nfs/dbraw/zinc/20/28/70/1440202870.db2.gz IPVQXZMVHIQMSG-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001752706658 1440202871 /nfs/dbraw/zinc/20/28/71/1440202871.db2.gz IPVQXZMVHIQMSG-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001752789593 1440213350 /nfs/dbraw/zinc/21/33/50/1440213350.db2.gz GOWSGNBGMHQDRX-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001752851973 1440233725 /nfs/dbraw/zinc/23/37/25/1440233725.db2.gz KURXFUVQMSHUJP-LMDPOFIKSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001753562604 1440437142 /nfs/dbraw/zinc/43/71/42/1440437142.db2.gz SYCXHVXFEFBHEO-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001754674974 1440659562 /nfs/dbraw/zinc/65/95/62/1440659562.db2.gz GZHZVSUHPWBQQF-YWZLYKJASA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754685754 1440664808 /nfs/dbraw/zinc/66/48/08/1440664808.db2.gz QXXHCIHBACUBTO-NQIIRXRSSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754685754 1440664809 /nfs/dbraw/zinc/66/48/09/1440664809.db2.gz QXXHCIHBACUBTO-NQIIRXRSSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001754685754 1440664810 /nfs/dbraw/zinc/66/48/10/1440664810.db2.gz QXXHCIHBACUBTO-NQIIRXRSSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001754685754 1440664811 /nfs/dbraw/zinc/66/48/11/1440664811.db2.gz QXXHCIHBACUBTO-NQIIRXRSSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001754948914 1440714387 /nfs/dbraw/zinc/71/43/87/1440714387.db2.gz RVUMIIMZLPYUST-RDJZCZTQSA-N 2 1 349.906 3.048 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001755342382 1440825695 /nfs/dbraw/zinc/82/56/95/1440825695.db2.gz DDPCMADMQHJKBS-DLBZAZTESA-N 2 1 343.943 3.076 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001755353938 1440828734 /nfs/dbraw/zinc/82/87/34/1440828734.db2.gz BRXMVZOPUMJRIU-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755899689 1440943403 /nfs/dbraw/zinc/94/34/03/1440943403.db2.gz LBKLXENLBIUQJY-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000344087999 164100841 /nfs/dbraw/zinc/10/08/41/164100841.db2.gz MVMGYMABBCYLFI-QGZVFWFLSA-N 2 1 335.451 3.241 20 30 EGEDMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000367518875 168236038 /nfs/dbraw/zinc/23/60/38/168236038.db2.gz KRNYEWDXBULNMS-ROUUACIJSA-N 2 1 340.515 3.237 20 30 EGEDMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000367518875 168236042 /nfs/dbraw/zinc/23/60/42/168236042.db2.gz KRNYEWDXBULNMS-ROUUACIJSA-N 2 1 340.515 3.237 20 30 EGEDMP N#Cc1ccccc1OC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459448890 270054814 /nfs/dbraw/zinc/05/48/14/270054814.db2.gz STYCWJKRWHAEMM-UHFFFAOYSA-N 2 1 339.483 3.465 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000176992826 454808666 /nfs/dbraw/zinc/80/86/66/454808666.db2.gz NAHCBXRUYPYGCE-INIZCTEOSA-N 2 1 327.472 3.474 20 30 EGEDMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OCCCC#N ZINC000237321526 455173452 /nfs/dbraw/zinc/17/34/52/455173452.db2.gz ZOULVOQTKIPVJG-UHFFFAOYSA-N 2 1 345.487 3.340 20 30 EGEDMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C#N ZINC000190994467 455421546 /nfs/dbraw/zinc/42/15/46/455421546.db2.gz ZWAHZZBGFGQBQY-IHWFROFDSA-N 2 1 334.467 3.182 20 30 EGEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000249601534 455764016 /nfs/dbraw/zinc/76/40/16/455764016.db2.gz OKGLUQWIOZYFRJ-MAUKXSAKSA-N 2 1 328.485 3.131 20 30 EGEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000249601534 455764020 /nfs/dbraw/zinc/76/40/20/455764020.db2.gz OKGLUQWIOZYFRJ-MAUKXSAKSA-N 2 1 328.485 3.131 20 30 EGEDMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000282518483 456538886 /nfs/dbraw/zinc/53/88/86/456538886.db2.gz ZLITXYRXSZLPOF-MJGOQNOKSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000282518483 456538888 /nfs/dbraw/zinc/53/88/88/456538888.db2.gz ZLITXYRXSZLPOF-MJGOQNOKSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1C#N ZINC000282518483 456538892 /nfs/dbraw/zinc/53/88/92/456538892.db2.gz ZLITXYRXSZLPOF-MJGOQNOKSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1C#N ZINC000282518483 456538895 /nfs/dbraw/zinc/53/88/95/456538895.db2.gz ZLITXYRXSZLPOF-MJGOQNOKSA-N 2 1 325.456 3.016 20 30 EGEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000342159409 457141358 /nfs/dbraw/zinc/14/13/58/457141358.db2.gz TZZMFWSRLDMVNI-UHFFFAOYSA-N 2 1 333.451 3.020 20 30 EGEDMP C[N@@H+](CCCCC(C)(C)C#N)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000365634520 457767925 /nfs/dbraw/zinc/76/79/25/457767925.db2.gz NPENXVYCLGIJCG-NRFANRHFSA-N 2 1 343.515 3.275 20 30 EGEDMP C[N@H+](CCCCC(C)(C)C#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365634520 457767932 /nfs/dbraw/zinc/76/79/32/457767932.db2.gz NPENXVYCLGIJCG-NRFANRHFSA-N 2 1 343.515 3.275 20 30 EGEDMP C[N@@H+](CCCCC(C)(C)C#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365634520 457767937 /nfs/dbraw/zinc/76/79/37/457767937.db2.gz NPENXVYCLGIJCG-NRFANRHFSA-N 2 1 343.515 3.275 20 30 EGEDMP C[NH+](CCCCC(C)(C)C#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365634520 457767946 /nfs/dbraw/zinc/76/79/46/457767946.db2.gz NPENXVYCLGIJCG-NRFANRHFSA-N 2 1 343.515 3.275 20 30 EGEDMP C[NH+](CCCCC(C)(C)C#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365634520 457767950 /nfs/dbraw/zinc/76/79/50/457767950.db2.gz NPENXVYCLGIJCG-NRFANRHFSA-N 2 1 343.515 3.275 20 30 EGEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000371295707 457853106 /nfs/dbraw/zinc/85/31/06/457853106.db2.gz UNNSSUHLAFVGDH-MISYRCLQSA-N 2 1 341.499 3.171 20 30 EGEDMP C#CC[N@H+](C)CCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000491486182 459630665 /nfs/dbraw/zinc/63/06/65/459630665.db2.gz USNGYAOWLCLMED-OAHLLOKOSA-N 2 1 325.378 3.023 20 30 EGEDMP C#CC[N@@H+](C)CCCN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000491486182 459630669 /nfs/dbraw/zinc/63/06/69/459630669.db2.gz USNGYAOWLCLMED-OAHLLOKOSA-N 2 1 325.378 3.023 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000491486182 459630673 /nfs/dbraw/zinc/63/06/73/459630673.db2.gz USNGYAOWLCLMED-OAHLLOKOSA-N 2 1 325.378 3.023 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000491486182 459630677 /nfs/dbraw/zinc/63/06/77/459630677.db2.gz USNGYAOWLCLMED-OAHLLOKOSA-N 2 1 325.378 3.023 20 30 EGEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000602611557 460022516 /nfs/dbraw/zinc/02/25/16/460022516.db2.gz WQHTYHLRMZZKSQ-YUXAGFNASA-N 2 1 346.478 3.344 20 30 EGEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000602611557 460022521 /nfs/dbraw/zinc/02/25/21/460022521.db2.gz WQHTYHLRMZZKSQ-YUXAGFNASA-N 2 1 346.478 3.344 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000602647207 460042074 /nfs/dbraw/zinc/04/20/74/460042074.db2.gz WWBMDQQCYNFUNI-PKOBYXMFSA-N 2 1 333.520 3.472 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667837174 462284355 /nfs/dbraw/zinc/28/43/55/462284355.db2.gz KQSWDHMGQDGRAF-SFHVURJKSA-N 2 1 346.515 3.273 20 30 EGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000657969048 462331889 /nfs/dbraw/zinc/33/18/89/462331889.db2.gz IMKPJTOXKPYGSJ-DUXKGJEZSA-N 2 1 328.500 3.478 20 30 EGEDMP C=CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)C ZINC000661754873 462398878 /nfs/dbraw/zinc/39/88/78/462398878.db2.gz DUTUNNSRCBIFRV-UHFFFAOYSA-N 2 1 343.515 3.185 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCOC)Cc2cccc(F)c2)CC1 ZINC000152957607 526604908 /nfs/dbraw/zinc/60/49/08/526604908.db2.gz DVZGMTUWQFCUNE-FQEVSTJZSA-N 2 1 334.479 3.403 20 30 EGEDMP C#CCN(C)CCC[NH2+][C@H](CC)c1cc(Br)ccc1[O-] ZINC000328050271 1297253669 /nfs/dbraw/zinc/25/36/69/1297253669.db2.gz ZEKXFBBHYSZNRE-OAHLLOKOSA-N 2 1 339.277 3.151 20 30 EGEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1cc(F)ccc1F ZINC000262312715 1296625734 /nfs/dbraw/zinc/62/57/34/1296625734.db2.gz SXFYVROUHLMFNH-OAHLLOKOSA-N 2 1 336.430 3.489 20 30 EGEDMP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000303864970 1296862713 /nfs/dbraw/zinc/86/27/13/1296862713.db2.gz BKXMGQFBAQPDEI-UHFFFAOYSA-N 2 1 328.504 3.432 20 30 EGEDMP CC(C)CCNC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000304787504 1296942189 /nfs/dbraw/zinc/94/21/89/1296942189.db2.gz IYMMNDQHTKZWKQ-UHFFFAOYSA-N 2 1 342.487 3.362 20 30 EGEDMP CC(C)CCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000304787504 1296942198 /nfs/dbraw/zinc/94/21/98/1296942198.db2.gz IYMMNDQHTKZWKQ-UHFFFAOYSA-N 2 1 342.487 3.362 20 30 EGEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000304990102 1296948886 /nfs/dbraw/zinc/94/88/86/1296948886.db2.gz CSPSJJCYJSEVNR-INIZCTEOSA-N 2 1 332.492 3.178 20 30 EGEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCCCCC1)[NH+]1CCCC1 ZINC000305037940 1296954364 /nfs/dbraw/zinc/95/43/64/1296954364.db2.gz BUXGGPYMBCTFAU-GOSISDBHSA-N 2 1 344.503 3.023 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000328253400 1297256098 /nfs/dbraw/zinc/25/60/98/1297256098.db2.gz JQKXZZYWTNDYEH-GFCCVEGCSA-N 2 1 327.241 3.194 20 30 EGEDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513732 1298240774 /nfs/dbraw/zinc/24/07/74/1298240774.db2.gz PEQAOCLLSYRKAQ-MAUKXSAKSA-N 2 1 325.481 3.477 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513732 1298240777 /nfs/dbraw/zinc/24/07/77/1298240777.db2.gz PEQAOCLLSYRKAQ-MAUKXSAKSA-N 2 1 325.481 3.477 20 30 EGEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957560420 1317457789 /nfs/dbraw/zinc/45/77/89/1317457789.db2.gz ZMYXICVPSRJFSC-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924983980 1323235714 /nfs/dbraw/zinc/23/57/14/1323235714.db2.gz KYLZEIPUQVHLKL-MGPUTAFESA-N 2 1 347.478 3.022 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CC(C)(C)C#N)CC2)oc1C ZINC000925040723 1323254046 /nfs/dbraw/zinc/25/40/46/1323254046.db2.gz VTSIHBRBDZMPTJ-CQSZACIVSA-N 2 1 332.492 3.421 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093470 1323277574 /nfs/dbraw/zinc/27/75/74/1323277574.db2.gz LEMJSZMSFZGKAG-HXUWFJFHSA-N 2 1 340.515 3.248 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024615525 1323542629 /nfs/dbraw/zinc/54/26/29/1323542629.db2.gz USZBFQKXAMCWCO-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615525 1323542636 /nfs/dbraw/zinc/54/26/36/1323542636.db2.gz USZBFQKXAMCWCO-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615525 1323542639 /nfs/dbraw/zinc/54/26/39/1323542639.db2.gz USZBFQKXAMCWCO-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024818718 1323723675 /nfs/dbraw/zinc/72/36/75/1323723675.db2.gz HFPHKPFQIUMUJE-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247776 1324047303 /nfs/dbraw/zinc/04/73/03/1324047303.db2.gz QBMQWRVVEGLYEP-OALUTQOASA-N 2 1 345.531 3.036 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025287835 1324109454 /nfs/dbraw/zinc/10/94/54/1324109454.db2.gz QVJJPAJYUCWYPA-VQTJNVASSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027693094 1328098842 /nfs/dbraw/zinc/09/88/42/1328098842.db2.gz RMTZQQACLGYHML-KRWDZBQOSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027693094 1328098848 /nfs/dbraw/zinc/09/88/48/1328098848.db2.gz RMTZQQACLGYHML-KRWDZBQOSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945031335 1332482105 /nfs/dbraw/zinc/48/21/05/1332482105.db2.gz ZVKAMCITCVZWSK-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948079009 1333368290 /nfs/dbraw/zinc/36/82/90/1333368290.db2.gz RNZMGHQTRULKMT-DLBZAZTESA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416999 1333517411 /nfs/dbraw/zinc/51/74/11/1333517411.db2.gz URQZSCJRPOLCDY-QGZVFWFLSA-N 2 1 349.544 3.312 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362304 1334231366 /nfs/dbraw/zinc/23/13/66/1334231366.db2.gz PQGNXBFFJAVMBU-HXUWFJFHSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362304 1334231368 /nfs/dbraw/zinc/23/13/68/1334231368.db2.gz PQGNXBFFJAVMBU-HXUWFJFHSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000969156521 1336165571 /nfs/dbraw/zinc/16/55/71/1336165571.db2.gz VOWFFNXRANXYIE-LJQANCHMSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862256 1338751520 /nfs/dbraw/zinc/75/15/20/1338751520.db2.gz UYPQNFACVAENFX-MOPGFXCFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017839636 1339429442 /nfs/dbraw/zinc/42/94/42/1339429442.db2.gz QFUDWAITFFMMBS-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017839636 1339429445 /nfs/dbraw/zinc/42/94/45/1339429445.db2.gz QFUDWAITFFMMBS-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017839636 1339429448 /nfs/dbraw/zinc/42/94/48/1339429448.db2.gz QFUDWAITFFMMBS-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001017839636 1339429451 /nfs/dbraw/zinc/42/94/51/1339429451.db2.gz QFUDWAITFFMMBS-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001034775341 1342753159 /nfs/dbraw/zinc/75/31/59/1342753159.db2.gz LJHVHWBQSGYYBM-FHWLQOOXSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720024 1343151049 /nfs/dbraw/zinc/15/10/49/1343151049.db2.gz FPPREGLQYCKDMV-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210797229 1372427761 /nfs/dbraw/zinc/42/77/61/1372427761.db2.gz PCXAWPGXWMLXGQ-SFHVURJKSA-N 2 1 325.541 3.269 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039279766 1344994695 /nfs/dbraw/zinc/99/46/95/1344994695.db2.gz CMQDFHKQTFWKOA-XUBOLADHSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039299296 1345002460 /nfs/dbraw/zinc/00/24/60/1345002460.db2.gz ZTLPFSSCQXZVOJ-UMQXSMKFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040723831 1345571128 /nfs/dbraw/zinc/57/11/28/1345571128.db2.gz MNISQPXLLYUCKN-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041287533 1345694788 /nfs/dbraw/zinc/69/47/88/1345694788.db2.gz QXAIQHBJPXHMFP-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937797 1346774641 /nfs/dbraw/zinc/77/46/41/1346774641.db2.gz KPJJEHJGKXVSAX-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045937797 1346774642 /nfs/dbraw/zinc/77/46/42/1346774642.db2.gz KPJJEHJGKXVSAX-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045937797 1346774646 /nfs/dbraw/zinc/77/46/46/1346774646.db2.gz KPJJEHJGKXVSAX-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049760671 1348005523 /nfs/dbraw/zinc/00/55/23/1348005523.db2.gz AXXJZFKGZIOIBN-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762228 1348007090 /nfs/dbraw/zinc/00/70/90/1348007090.db2.gz OMDFCKIZXVDBMV-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762228 1348007092 /nfs/dbraw/zinc/00/70/92/1348007092.db2.gz OMDFCKIZXVDBMV-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762230 1348007132 /nfs/dbraw/zinc/00/71/32/1348007132.db2.gz OMDFCKIZXVDBMV-ROUUACIJSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762230 1348007135 /nfs/dbraw/zinc/00/71/35/1348007135.db2.gz OMDFCKIZXVDBMV-ROUUACIJSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049834537 1348047745 /nfs/dbraw/zinc/04/77/45/1348047745.db2.gz BNQHLRZOWRCCDR-VAMGGRTRSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049834537 1348047748 /nfs/dbraw/zinc/04/77/48/1348047748.db2.gz BNQHLRZOWRCCDR-VAMGGRTRSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049834537 1348047750 /nfs/dbraw/zinc/04/77/50/1348047750.db2.gz BNQHLRZOWRCCDR-VAMGGRTRSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050727366 1348339850 /nfs/dbraw/zinc/33/98/50/1348339850.db2.gz HRPJWXPANJIKOH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446622 1348543318 /nfs/dbraw/zinc/54/33/18/1348543318.db2.gz MHLSURLQWXYHPS-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446622 1348543322 /nfs/dbraw/zinc/54/33/22/1348543322.db2.gz MHLSURLQWXYHPS-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446622 1348543324 /nfs/dbraw/zinc/54/33/24/1348543324.db2.gz MHLSURLQWXYHPS-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054245320 1349239749 /nfs/dbraw/zinc/23/97/49/1349239749.db2.gz RMHZTXOOPUTICY-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245320 1349239750 /nfs/dbraw/zinc/23/97/50/1349239750.db2.gz RMHZTXOOPUTICY-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054245320 1349239754 /nfs/dbraw/zinc/23/97/54/1349239754.db2.gz RMHZTXOOPUTICY-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2C1 ZINC001054292529 1349297768 /nfs/dbraw/zinc/29/77/68/1349297768.db2.gz KBNCYSWKWSJZBK-UHFFFAOYSA-N 2 1 349.478 3.180 20 30 EGEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cccc(C[NH+](C)C)c3)cc2C1 ZINC001054292529 1349297771 /nfs/dbraw/zinc/29/77/71/1349297771.db2.gz KBNCYSWKWSJZBK-UHFFFAOYSA-N 2 1 349.478 3.180 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404567 1360403535 /nfs/dbraw/zinc/40/35/35/1360403535.db2.gz WLFUGLWBNVTWKA-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404567 1360403537 /nfs/dbraw/zinc/40/35/37/1360403537.db2.gz WLFUGLWBNVTWKA-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404567 1360403539 /nfs/dbraw/zinc/40/35/39/1360403539.db2.gz WLFUGLWBNVTWKA-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC001075458318 1356390075 /nfs/dbraw/zinc/39/00/75/1356390075.db2.gz BYRYJUKXOPQADY-UYAOXDASSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085307069 1358461410 /nfs/dbraw/zinc/46/14/10/1358461410.db2.gz DKGIIMHDDBXIOQ-AQNXPRMDSA-N 2 1 347.547 3.377 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927758 1359252766 /nfs/dbraw/zinc/25/27/66/1359252766.db2.gz LFYMMMLUHWIZPF-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927552 1359252869 /nfs/dbraw/zinc/25/28/69/1359252869.db2.gz FPZIEOXCHAGZSD-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636453 1359565764 /nfs/dbraw/zinc/56/57/64/1359565764.db2.gz QWIGRYLPWPUKBZ-IPMKNSEASA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636453 1359565766 /nfs/dbraw/zinc/56/57/66/1359565766.db2.gz QWIGRYLPWPUKBZ-IPMKNSEASA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636453 1359565769 /nfs/dbraw/zinc/56/57/69/1359565769.db2.gz QWIGRYLPWPUKBZ-IPMKNSEASA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088811876 1360060438 /nfs/dbraw/zinc/06/04/38/1360060438.db2.gz AHHGXLOGTMBOTK-HOJAQTOUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088811876 1360060440 /nfs/dbraw/zinc/06/04/40/1360060440.db2.gz AHHGXLOGTMBOTK-HOJAQTOUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088811876 1360060443 /nfs/dbraw/zinc/06/04/43/1360060443.db2.gz AHHGXLOGTMBOTK-HOJAQTOUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089379930 1360382684 /nfs/dbraw/zinc/38/26/84/1360382684.db2.gz APBZEJMPJZLMDJ-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089379930 1360382686 /nfs/dbraw/zinc/38/26/86/1360382686.db2.gz APBZEJMPJZLMDJ-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089379930 1360382689 /nfs/dbraw/zinc/38/26/89/1360382689.db2.gz APBZEJMPJZLMDJ-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400588 1360400118 /nfs/dbraw/zinc/40/01/18/1360400118.db2.gz JTGSKQNCXWWROR-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400588 1360400119 /nfs/dbraw/zinc/40/01/19/1360400119.db2.gz JTGSKQNCXWWROR-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400588 1360400120 /nfs/dbraw/zinc/40/01/20/1360400120.db2.gz JTGSKQNCXWWROR-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089442554 1360432255 /nfs/dbraw/zinc/43/22/55/1360432255.db2.gz QBFXJHUZWTXYNK-KRWDZBQOSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509418 1360480758 /nfs/dbraw/zinc/48/07/58/1360480758.db2.gz BRTHLJJZKWKQJF-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509418 1360480759 /nfs/dbraw/zinc/48/07/59/1360480759.db2.gz BRTHLJJZKWKQJF-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC(C)(C)C1 ZINC001089536697 1360495857 /nfs/dbraw/zinc/49/58/57/1360495857.db2.gz FJGXVENMXIMNGP-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089536697 1360495859 /nfs/dbraw/zinc/49/58/59/1360495859.db2.gz FJGXVENMXIMNGP-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089536697 1360495863 /nfs/dbraw/zinc/49/58/63/1360495863.db2.gz FJGXVENMXIMNGP-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565225 1360512209 /nfs/dbraw/zinc/51/22/09/1360512209.db2.gz QAZDEYMZPSMYGD-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565225 1360512212 /nfs/dbraw/zinc/51/22/12/1360512212.db2.gz QAZDEYMZPSMYGD-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565225 1360512215 /nfs/dbraw/zinc/51/22/15/1360512215.db2.gz QAZDEYMZPSMYGD-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089638979 1360552381 /nfs/dbraw/zinc/55/23/81/1360552381.db2.gz KUZSVQCVKTXKGH-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638979 1360552384 /nfs/dbraw/zinc/55/23/84/1360552384.db2.gz KUZSVQCVKTXKGH-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638979 1360552388 /nfs/dbraw/zinc/55/23/88/1360552388.db2.gz KUZSVQCVKTXKGH-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089650141 1360563441 /nfs/dbraw/zinc/56/34/41/1360563441.db2.gz VQAPFPDPXPHRKW-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089650141 1360563446 /nfs/dbraw/zinc/56/34/46/1360563446.db2.gz VQAPFPDPXPHRKW-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089650141 1360563449 /nfs/dbraw/zinc/56/34/49/1360563449.db2.gz VQAPFPDPXPHRKW-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684027 1360589711 /nfs/dbraw/zinc/58/97/11/1360589711.db2.gz MSPPLXCLFQPKQT-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684027 1360589717 /nfs/dbraw/zinc/58/97/17/1360589717.db2.gz MSPPLXCLFQPKQT-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684027 1360589719 /nfs/dbraw/zinc/58/97/19/1360589719.db2.gz MSPPLXCLFQPKQT-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089733905 1360638157 /nfs/dbraw/zinc/63/81/57/1360638157.db2.gz CTFIWCNQQUXOPJ-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089733905 1360638162 /nfs/dbraw/zinc/63/81/62/1360638162.db2.gz CTFIWCNQQUXOPJ-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089733905 1360638164 /nfs/dbraw/zinc/63/81/64/1360638164.db2.gz CTFIWCNQQUXOPJ-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184578896 1387497437 /nfs/dbraw/zinc/49/74/37/1387497437.db2.gz ZXFDYCISTZIEQW-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456270 1361808398 /nfs/dbraw/zinc/80/83/98/1361808398.db2.gz CYZWFKYPXKYBMI-QKNQBKEWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456270 1361808402 /nfs/dbraw/zinc/80/84/02/1361808402.db2.gz CYZWFKYPXKYBMI-QKNQBKEWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456270 1361808405 /nfs/dbraw/zinc/80/84/05/1361808405.db2.gz CYZWFKYPXKYBMI-QKNQBKEWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094456271 1361808471 /nfs/dbraw/zinc/80/84/71/1361808471.db2.gz CYZWFKYPXKYBMI-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456271 1361808473 /nfs/dbraw/zinc/80/84/73/1361808473.db2.gz CYZWFKYPXKYBMI-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094456271 1361808477 /nfs/dbraw/zinc/80/84/77/1361808477.db2.gz CYZWFKYPXKYBMI-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891509 1387556242 /nfs/dbraw/zinc/55/62/42/1387556242.db2.gz HWRMOLZUEKUDSY-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099116272 1363631797 /nfs/dbraw/zinc/63/17/97/1363631797.db2.gz OYWGXIPDLSATQG-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116272 1363631799 /nfs/dbraw/zinc/63/17/99/1363631799.db2.gz OYWGXIPDLSATQG-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116272 1363631802 /nfs/dbraw/zinc/63/18/02/1363631802.db2.gz OYWGXIPDLSATQG-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099131028 1363643596 /nfs/dbraw/zinc/64/35/96/1363643596.db2.gz VNSUCHGSBBWRBD-KRWDZBQOSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099131028 1363643600 /nfs/dbraw/zinc/64/36/00/1363643600.db2.gz VNSUCHGSBBWRBD-KRWDZBQOSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099131028 1363643604 /nfs/dbraw/zinc/64/36/04/1363643604.db2.gz VNSUCHGSBBWRBD-KRWDZBQOSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099131029 1363643775 /nfs/dbraw/zinc/64/37/75/1363643775.db2.gz VNSUCHGSBBWRBD-QGZVFWFLSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099131029 1363643777 /nfs/dbraw/zinc/64/37/77/1363643777.db2.gz VNSUCHGSBBWRBD-QGZVFWFLSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099131029 1363643780 /nfs/dbraw/zinc/64/37/80/1363643780.db2.gz VNSUCHGSBBWRBD-QGZVFWFLSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099228920 1363702023 /nfs/dbraw/zinc/70/20/23/1363702023.db2.gz CZKAITHZDYTDFL-QZTJIDSGSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099234800 1363705366 /nfs/dbraw/zinc/70/53/66/1363705366.db2.gz MICODNATTVWORG-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234800 1363705367 /nfs/dbraw/zinc/70/53/67/1363705367.db2.gz MICODNATTVWORG-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234800 1363705369 /nfs/dbraw/zinc/70/53/69/1363705369.db2.gz MICODNATTVWORG-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099259131 1363720349 /nfs/dbraw/zinc/72/03/49/1363720349.db2.gz XOBHZMLZVHHOPA-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001099259131 1363720351 /nfs/dbraw/zinc/72/03/51/1363720351.db2.gz XOBHZMLZVHHOPA-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348708 1363764946 /nfs/dbraw/zinc/76/49/46/1363764946.db2.gz KZKXOOPMIYEIJZ-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185213610 1387652438 /nfs/dbraw/zinc/65/24/38/1387652438.db2.gz DQWLHFUSZIGIBV-ZWKOTPCHSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185213607 1387652974 /nfs/dbraw/zinc/65/29/74/1387652974.db2.gz DQWLHFUSZIGIBV-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100320736 1364079757 /nfs/dbraw/zinc/07/97/57/1364079757.db2.gz QCGMXMBLXWPSOX-ACBHZAAOSA-N 2 1 337.552 3.314 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001100420649 1364108301 /nfs/dbraw/zinc/10/83/01/1364108301.db2.gz PPVATPDAYVITCU-CTWPCTMYSA-N 2 1 337.552 3.316 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100456793 1364120493 /nfs/dbraw/zinc/12/04/93/1364120493.db2.gz BVABPWWTXXQINO-UHFFFAOYSA-N 2 1 325.541 3.172 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100470845 1364126936 /nfs/dbraw/zinc/12/69/36/1364126936.db2.gz DIBSOQFEIRJJGX-SOAGJPPSSA-N 2 1 349.563 3.338 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721301 1364235033 /nfs/dbraw/zinc/23/50/33/1364235033.db2.gz KJRXFTTZKISIGT-UHFFFAOYSA-N 2 1 346.519 3.237 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185306349 1387677123 /nfs/dbraw/zinc/67/71/23/1387677123.db2.gz KRQDREJDFQERQB-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243423 1364482701 /nfs/dbraw/zinc/48/27/01/1364482701.db2.gz BDZUSYYAHYQKIV-XCJLJZCSSA-N 2 1 349.563 3.077 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243423 1364482704 /nfs/dbraw/zinc/48/27/04/1364482704.db2.gz BDZUSYYAHYQKIV-XCJLJZCSSA-N 2 1 349.563 3.077 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001101243423 1364482706 /nfs/dbraw/zinc/48/27/06/1364482706.db2.gz BDZUSYYAHYQKIV-XCJLJZCSSA-N 2 1 349.563 3.077 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101540348 1364606776 /nfs/dbraw/zinc/60/67/76/1364606776.db2.gz DFSDTEYNGLRTFA-LJQANCHMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001101552310 1364614663 /nfs/dbraw/zinc/61/46/63/1364614663.db2.gz BRJOMRCBVHPANY-IBGZPJMESA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001101574969 1364629244 /nfs/dbraw/zinc/62/92/44/1364629244.db2.gz NIXHACSJSPVDKU-UHFFFAOYSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174548 1365421039 /nfs/dbraw/zinc/42/10/39/1365421039.db2.gz RJRMUAHYUAMNHN-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174548 1365421040 /nfs/dbraw/zinc/42/10/40/1365421040.db2.gz RJRMUAHYUAMNHN-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174548 1365421043 /nfs/dbraw/zinc/42/10/43/1365421043.db2.gz RJRMUAHYUAMNHN-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103378793 1365525792 /nfs/dbraw/zinc/52/57/92/1365525792.db2.gz KYMVPKFJAMTPFC-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999930 1365867891 /nfs/dbraw/zinc/86/78/91/1365867891.db2.gz PIUGLHURBQIBLO-QRVBRYPASA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185681229 1387776265 /nfs/dbraw/zinc/77/62/65/1387776265.db2.gz KCQXALRCBWQHTC-MJGOQNOKSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753447 1366157292 /nfs/dbraw/zinc/15/72/92/1366157292.db2.gz BHUKUMHBAYTMIO-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104873795 1366206437 /nfs/dbraw/zinc/20/64/37/1366206437.db2.gz GAADWFMHKMTFIS-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539614 1366518977 /nfs/dbraw/zinc/51/89/77/1366518977.db2.gz LMRUMBWHQXCQPM-QRVBRYPASA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106112050 1366612530 /nfs/dbraw/zinc/61/25/30/1366612530.db2.gz WGCILMDPAJCSQT-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574831 1366741685 /nfs/dbraw/zinc/74/16/85/1366741685.db2.gz OXKWBHDFXNCALR-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106859930 1366818367 /nfs/dbraw/zinc/81/83/67/1366818367.db2.gz ALLXUHBLGDYTBT-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107488847 1366989986 /nfs/dbraw/zinc/98/99/86/1366989986.db2.gz ZXTYRXZZFKIHKN-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582979 1367057289 /nfs/dbraw/zinc/05/72/89/1367057289.db2.gz JCJASFQIMQRVQZ-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890593 1367375567 /nfs/dbraw/zinc/37/55/67/1367375567.db2.gz UBZHLFMTSBYEFG-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551643 1367526116 /nfs/dbraw/zinc/52/61/16/1367526116.db2.gz OWNPRWLYIUKPLT-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551643 1367526121 /nfs/dbraw/zinc/52/61/21/1367526121.db2.gz OWNPRWLYIUKPLT-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551643 1367526134 /nfs/dbraw/zinc/52/61/34/1367526134.db2.gz OWNPRWLYIUKPLT-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191552010 1367526406 /nfs/dbraw/zinc/52/64/06/1367526406.db2.gz SLYJRCGIXFVWSB-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191552010 1367526412 /nfs/dbraw/zinc/52/64/12/1367526412.db2.gz SLYJRCGIXFVWSB-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191552010 1367526419 /nfs/dbraw/zinc/52/64/19/1367526419.db2.gz SLYJRCGIXFVWSB-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108734689 1367565664 /nfs/dbraw/zinc/56/56/64/1367565664.db2.gz WXMILPUBTYSJIU-BJLQDIEVSA-N 2 1 347.547 3.186 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110664909 1367905820 /nfs/dbraw/zinc/90/58/20/1367905820.db2.gz DQJYFISILSHTLT-KURKYZTESA-N 2 1 335.536 3.163 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145493 1368164137 /nfs/dbraw/zinc/16/41/37/1368164137.db2.gz IPYRCWPWYAKHCG-AQNXPRMDSA-N 2 1 341.499 3.050 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194266768 1368219664 /nfs/dbraw/zinc/21/96/64/1368219664.db2.gz ZYAXHTBLCVDVLD-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266768 1368219666 /nfs/dbraw/zinc/21/96/66/1368219666.db2.gz ZYAXHTBLCVDVLD-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266768 1368219671 /nfs/dbraw/zinc/21/96/71/1368219671.db2.gz ZYAXHTBLCVDVLD-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001195846268 1368502681 /nfs/dbraw/zinc/50/26/81/1368502681.db2.gz SQTVVMRGCUEJMG-SFHVURJKSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865038 1368506534 /nfs/dbraw/zinc/50/65/34/1368506534.db2.gz GOCNZWSDXLPOMT-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865038 1368506538 /nfs/dbraw/zinc/50/65/38/1368506538.db2.gz GOCNZWSDXLPOMT-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195865038 1368506543 /nfs/dbraw/zinc/50/65/43/1368506543.db2.gz GOCNZWSDXLPOMT-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196274766 1368581434 /nfs/dbraw/zinc/58/14/34/1368581434.db2.gz BPFLEDLUZAWCNH-UHFFFAOYSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001196902368 1368711143 /nfs/dbraw/zinc/71/11/43/1368711143.db2.gz ZXNXRGCJVLRTSA-FQEVSTJZSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001196902368 1368711145 /nfs/dbraw/zinc/71/11/45/1368711145.db2.gz ZXNXRGCJVLRTSA-FQEVSTJZSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001196902368 1368711149 /nfs/dbraw/zinc/71/11/49/1368711149.db2.gz ZXNXRGCJVLRTSA-FQEVSTJZSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001197477201 1368822950 /nfs/dbraw/zinc/82/29/50/1368822950.db2.gz DEAOIBPWGNTVLH-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477201 1368822953 /nfs/dbraw/zinc/82/29/53/1368822953.db2.gz DEAOIBPWGNTVLH-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477201 1368822956 /nfs/dbraw/zinc/82/29/56/1368822956.db2.gz DEAOIBPWGNTVLH-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112579132 1368935330 /nfs/dbraw/zinc/93/53/30/1368935330.db2.gz XWEAWQOCCXSFCU-ZJOUEHCJSA-N 2 1 349.563 3.127 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259031 1368992040 /nfs/dbraw/zinc/99/20/40/1368992040.db2.gz JXWZOCDBFZGTOI-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186605774 1387985045 /nfs/dbraw/zinc/98/50/45/1387985045.db2.gz UIZOAESBHNRMHD-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401413 1369399724 /nfs/dbraw/zinc/39/97/24/1369399724.db2.gz AQLMVXIYUXRARV-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203180038 1370012834 /nfs/dbraw/zinc/01/28/34/1370012834.db2.gz WXYMYYODNCIBMR-QZTJIDSGSA-N 2 1 346.519 3.179 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577901 1370177547 /nfs/dbraw/zinc/17/75/47/1370177547.db2.gz UDHUFZRVBABURS-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203852419 1370289400 /nfs/dbraw/zinc/28/94/00/1370289400.db2.gz BFHQTVMDRNOIJP-HDICACEKSA-N 2 1 337.552 3.410 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115758833 1370741796 /nfs/dbraw/zinc/74/17/96/1370741796.db2.gz UJHQCCJVAPHISY-UHFFFAOYSA-N 2 1 346.519 3.381 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205461867 1370762927 /nfs/dbraw/zinc/76/29/27/1370762927.db2.gz QTCQXRABNOAXDG-AZUAARDMSA-N 2 1 349.563 3.432 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)CC[C@H]1C[NH3+] ZINC001205617473 1370813340 /nfs/dbraw/zinc/81/33/40/1370813340.db2.gz KENVZLIQEPEHGC-JSGCOSHPSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)CC[C@H]1C[NH3+] ZINC001205654489 1370829688 /nfs/dbraw/zinc/82/96/88/1370829688.db2.gz XALKCAWJTGSFLK-OCCSQVGLSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCC[C@H]1C[NH3+] ZINC001205995470 1370933413 /nfs/dbraw/zinc/93/34/13/1370933413.db2.gz OILSHKWXQQYXHI-OCCSQVGLSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(Br)c(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206011475 1370938063 /nfs/dbraw/zinc/93/80/63/1370938063.db2.gz CPYZQCCTXWAWPV-JSGCOSHPSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001206317042 1371020009 /nfs/dbraw/zinc/02/00/09/1371020009.db2.gz BPPLIYZJXCIAOF-INIZCTEOSA-N 2 1 336.277 3.272 20 30 EGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001206327866 1371025201 /nfs/dbraw/zinc/02/52/01/1371025201.db2.gz ZGGLXDNPDZAOMF-MRXNPFEDSA-N 2 1 336.277 3.272 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001207000621 1371263790 /nfs/dbraw/zinc/26/37/90/1371263790.db2.gz IPGYYKCCLVBCGP-FCGDIQPGSA-N 2 1 337.552 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001207000621 1371263795 /nfs/dbraw/zinc/26/37/95/1371263795.db2.gz IPGYYKCCLVBCGP-FCGDIQPGSA-N 2 1 337.552 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001207000621 1371263797 /nfs/dbraw/zinc/26/37/97/1371263797.db2.gz IPGYYKCCLVBCGP-FCGDIQPGSA-N 2 1 337.552 3.124 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207616797 1371453361 /nfs/dbraw/zinc/45/33/61/1371453361.db2.gz FKLYKGLOIQVQRV-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207616797 1371453364 /nfs/dbraw/zinc/45/33/64/1371453364.db2.gz FKLYKGLOIQVQRV-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207616797 1371453367 /nfs/dbraw/zinc/45/33/67/1371453367.db2.gz FKLYKGLOIQVQRV-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130376 1371491754 /nfs/dbraw/zinc/49/17/54/1371491754.db2.gz YKWVZOQMVYTURW-GOSISDBHSA-N 2 1 337.552 3.317 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868296 1371525725 /nfs/dbraw/zinc/52/57/25/1371525725.db2.gz QARLLSGKQHFWBY-VQIMIIECSA-N 2 1 340.471 3.131 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014401 1371568745 /nfs/dbraw/zinc/56/87/45/1371568745.db2.gz QBYXTBXTSMXDEJ-MOPGFXCFSA-N 2 1 337.552 3.410 20 30 EGEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001208615621 1371841479 /nfs/dbraw/zinc/84/14/79/1371841479.db2.gz IJUWKEFEHSZDRM-HNNXBMFYSA-N 2 1 347.890 3.397 20 30 EGEDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208853217 1371918379 /nfs/dbraw/zinc/91/83/79/1371918379.db2.gz GBDSLBYTLHWPPZ-OAQYLSRUSA-N 2 1 341.499 3.066 20 30 EGEDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208853217 1371918381 /nfs/dbraw/zinc/91/83/81/1371918381.db2.gz GBDSLBYTLHWPPZ-OAQYLSRUSA-N 2 1 341.499 3.066 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121774070 1372076916 /nfs/dbraw/zinc/07/69/16/1372076916.db2.gz XMJSTTSVOJPSCZ-RBUNFDSBSA-N 2 1 349.563 3.172 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122057144 1372164522 /nfs/dbraw/zinc/16/45/22/1372164522.db2.gz WAWXDBMIWUUKED-GGQJKKPXSA-N 2 1 347.547 3.092 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246300 1388274482 /nfs/dbraw/zinc/27/44/82/1388274482.db2.gz IJTSJZCSHXWQTH-XUVXKRRUSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246300 1388274486 /nfs/dbraw/zinc/27/44/86/1388274486.db2.gz IJTSJZCSHXWQTH-XUVXKRRUSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188246300 1388274489 /nfs/dbraw/zinc/27/44/89/1388274489.db2.gz IJTSJZCSHXWQTH-XUVXKRRUSA-N 2 1 349.563 3.364 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092367 1373816507 /nfs/dbraw/zinc/81/65/07/1373816507.db2.gz PUPUUOLWXOUODO-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092367 1373816511 /nfs/dbraw/zinc/81/65/11/1373816511.db2.gz PUPUUOLWXOUODO-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248920 1375244142 /nfs/dbraw/zinc/24/41/42/1375244142.db2.gz KNRGCYUZQKEDGX-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132887215 1375625339 /nfs/dbraw/zinc/62/53/39/1375625339.db2.gz CVIAZLXYOMCIJR-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001228931992 1375719275 /nfs/dbraw/zinc/71/92/75/1375719275.db2.gz ITRVEHGEFXEWQP-QRVBRYPASA-N 2 1 335.536 3.233 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122639 1375787879 /nfs/dbraw/zinc/78/78/79/1375787879.db2.gz SJKBNQXWIDMIPR-ZWKOTPCHSA-N 2 1 337.552 3.005 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001230359549 1376007780 /nfs/dbraw/zinc/00/77/80/1376007780.db2.gz DAYNAPYWDIEVLS-LJQANCHMSA-N 2 1 337.552 3.412 20 30 EGEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235970009 1376924317 /nfs/dbraw/zinc/92/43/17/1376924317.db2.gz XINPMGMNFNUJLM-LJQANCHMSA-N 2 1 339.483 3.181 20 30 EGEDMP C=CCn1cc(C[N@@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001139772134 1377948821 /nfs/dbraw/zinc/94/88/21/1377948821.db2.gz ABMPLCPQXHIQIV-UHFFFAOYSA-N 2 1 338.499 3.413 20 30 EGEDMP C[N@H+](Cc1cc(Br)ccc1C#N)CC1CC[NH+](C)CC1 ZINC001141901445 1378391026 /nfs/dbraw/zinc/39/10/26/1378391026.db2.gz XASLQCGXJQJGCN-UHFFFAOYSA-N 2 1 336.277 3.094 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658434 1379056796 /nfs/dbraw/zinc/05/67/96/1379056796.db2.gz SMRDDGVHYVXCFD-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658434 1379056800 /nfs/dbraw/zinc/05/68/00/1379056800.db2.gz SMRDDGVHYVXCFD-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001147658434 1379056805 /nfs/dbraw/zinc/05/68/05/1379056805.db2.gz SMRDDGVHYVXCFD-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701858 1381007885 /nfs/dbraw/zinc/00/78/85/1381007885.db2.gz JUCUYKWAUZFHIU-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157701858 1381007894 /nfs/dbraw/zinc/00/78/94/1381007894.db2.gz JUCUYKWAUZFHIU-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157701858 1381007896 /nfs/dbraw/zinc/00/78/96/1381007896.db2.gz JUCUYKWAUZFHIU-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001755342385 1440825720 /nfs/dbraw/zinc/82/57/20/1440825720.db2.gz DDPCMADMQHJKBS-SJORKVTESA-N 2 1 343.943 3.076 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158290022 1381187058 /nfs/dbraw/zinc/18/70/58/1381187058.db2.gz TVCOSAZPHBVCCA-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480259 1381262012 /nfs/dbraw/zinc/26/20/12/1381262012.db2.gz KXMZRQWEBNVPKM-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480259 1381262016 /nfs/dbraw/zinc/26/20/16/1381262016.db2.gz KXMZRQWEBNVPKM-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480259 1381262024 /nfs/dbraw/zinc/26/20/24/1381262024.db2.gz KXMZRQWEBNVPKM-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158605435 1381316509 /nfs/dbraw/zinc/31/65/09/1381316509.db2.gz YBNORFPPFMDMKZ-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158909732 1381459800 /nfs/dbraw/zinc/45/98/00/1381459800.db2.gz XFRPNFCQRTWTQQ-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360249 1382082710 /nfs/dbraw/zinc/08/27/10/1382082710.db2.gz MGFPGSFSIMDMML-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360249 1382082714 /nfs/dbraw/zinc/08/27/14/1382082714.db2.gz MGFPGSFSIMDMML-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360249 1382082716 /nfs/dbraw/zinc/08/27/16/1382082716.db2.gz MGFPGSFSIMDMML-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160518185 1382129235 /nfs/dbraw/zinc/12/92/35/1382129235.db2.gz IQGVEENXIQICIV-KRWDZBQOSA-N 2 1 335.536 3.210 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518185 1382129241 /nfs/dbraw/zinc/12/92/41/1382129241.db2.gz IQGVEENXIQICIV-KRWDZBQOSA-N 2 1 335.536 3.210 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518185 1382129242 /nfs/dbraw/zinc/12/92/42/1382129242.db2.gz IQGVEENXIQICIV-KRWDZBQOSA-N 2 1 335.536 3.210 20 30 EGEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001161678234 1382477996 /nfs/dbraw/zinc/47/79/96/1382477996.db2.gz CBIQYPRTHQQTQM-UHFFFAOYSA-N 2 1 347.547 3.050 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161951996 1382567964 /nfs/dbraw/zinc/56/79/64/1382567964.db2.gz ADKLUTWXIZDGPH-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001165776567 1383344706 /nfs/dbraw/zinc/34/47/06/1383344706.db2.gz OZYMDJPSORFLBD-SFHVURJKSA-N 2 1 337.552 3.317 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351967 1383607138 /nfs/dbraw/zinc/60/71/38/1383607138.db2.gz VABLIMMRAQMFCM-KRWDZBQOSA-N 2 1 346.519 3.237 20 30 EGEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167981742 1383786328 /nfs/dbraw/zinc/78/63/28/1383786328.db2.gz HVHYVHZCQUGIIV-SEJPIABJSA-N 3 1 340.515 3.059 20 30 EGEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001168327019 1383874606 /nfs/dbraw/zinc/87/46/06/1383874606.db2.gz IWHRIAJSDUPXAK-AFMYVXGZSA-N 2 1 327.472 3.274 20 30 EGEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)Cc2cccc(F)c2)CC1 ZINC001168501510 1383926150 /nfs/dbraw/zinc/92/61/50/1383926150.db2.gz RRERLVAROVHRJD-IBGZPJMESA-N 2 1 345.506 3.048 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153891 1384116167 /nfs/dbraw/zinc/11/61/67/1384116167.db2.gz LVBCHAUDZBEYOE-DOADOZAASA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153891 1384116168 /nfs/dbraw/zinc/11/61/68/1384116168.db2.gz LVBCHAUDZBEYOE-DOADOZAASA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153891 1384116172 /nfs/dbraw/zinc/11/61/72/1384116172.db2.gz LVBCHAUDZBEYOE-DOADOZAASA-N 2 1 325.456 3.027 20 30 EGEDMP CC1(C)C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172279654 1384758687 /nfs/dbraw/zinc/75/86/87/1384758687.db2.gz DWWPXTPYNISDKC-GUDVDZBRSA-N 2 1 327.472 3.198 20 30 EGEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001172499781 1384805722 /nfs/dbraw/zinc/80/57/22/1384805722.db2.gz UBUADHSKIPUOAI-LJQANCHMSA-N 2 1 341.499 3.436 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174879956 1385163732 /nfs/dbraw/zinc/16/37/32/1385163732.db2.gz AQFITFSGYDGXEY-MOPGFXCFSA-N 2 1 337.552 3.339 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174881653 1385164650 /nfs/dbraw/zinc/16/46/50/1385164650.db2.gz LLNDXAATDRFSQX-MOPGFXCFSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262179 1385232875 /nfs/dbraw/zinc/23/28/75/1385232875.db2.gz CPZZEKCYBJOURK-QFBILLFUSA-N 2 1 341.515 3.040 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177021457 1385775447 /nfs/dbraw/zinc/77/54/47/1385775447.db2.gz XHLPLBVWUGLATE-IBGZPJMESA-N 2 1 333.520 3.356 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178483905 1386231545 /nfs/dbraw/zinc/23/15/45/1386231545.db2.gz JZQGLVAZGWKMBB-OALUTQOASA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CC[N@H+](C)CCC ZINC001180117961 1386702701 /nfs/dbraw/zinc/70/27/01/1386702701.db2.gz PAVIRKXBGSSFAS-GOSISDBHSA-N 2 1 325.541 3.339 20 30 EGEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001331595762 1389819003 /nfs/dbraw/zinc/81/90/03/1389819003.db2.gz IBJDMIOZLHYDDG-JAXLGGSGSA-N 2 1 337.511 3.042 20 30 EGEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001331595762 1389819009 /nfs/dbraw/zinc/81/90/09/1389819009.db2.gz IBJDMIOZLHYDDG-JAXLGGSGSA-N 2 1 337.511 3.042 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001752736985 1440204383 /nfs/dbraw/zinc/20/43/83/1440204383.db2.gz GNOIKALJXODVLU-ZSYWTGECSA-N 2 1 335.536 3.211 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001752801393 1440215011 /nfs/dbraw/zinc/21/50/11/1440215011.db2.gz LRGDAVPZTNLPMX-RTBURBONSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001752821102 1440220354 /nfs/dbraw/zinc/22/03/54/1440220354.db2.gz VZHVUCKRWGDTSL-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001752821102 1440220355 /nfs/dbraw/zinc/22/03/55/1440220355.db2.gz VZHVUCKRWGDTSL-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001752821102 1440220356 /nfs/dbraw/zinc/22/03/56/1440220356.db2.gz VZHVUCKRWGDTSL-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001753000027 1440264140 /nfs/dbraw/zinc/26/41/40/1440264140.db2.gz MEZBIBRJPVPXDS-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001753000027 1440264141 /nfs/dbraw/zinc/26/41/41/1440264141.db2.gz MEZBIBRJPVPXDS-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753000027 1440264142 /nfs/dbraw/zinc/26/41/42/1440264142.db2.gz MEZBIBRJPVPXDS-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753000027 1440264143 /nfs/dbraw/zinc/26/41/43/1440264143.db2.gz MEZBIBRJPVPXDS-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753358171 1440381090 /nfs/dbraw/zinc/38/10/90/1440381090.db2.gz KZKIFJKDIWKDKH-UYAOXDASSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753358171 1440381091 /nfs/dbraw/zinc/38/10/91/1440381091.db2.gz KZKIFJKDIWKDKH-UYAOXDASSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753358171 1440381092 /nfs/dbraw/zinc/38/10/92/1440381092.db2.gz KZKIFJKDIWKDKH-UYAOXDASSA-N 2 1 343.515 3.036 20 30 EGEDMP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001753405241 1440391682 /nfs/dbraw/zinc/39/16/82/1440391682.db2.gz HNRIEQDSEMWMQI-OALUTQOASA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001753444899 1440403264 /nfs/dbraw/zinc/40/32/64/1440403264.db2.gz AUHSXHJRJBKCHE-LJQANCHMSA-N 2 1 337.552 3.221 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001753550442 1440434903 /nfs/dbraw/zinc/43/49/03/1440434903.db2.gz RBPBWJFKKKFCBS-VQTJNVASSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001754947575 1440713877 /nfs/dbraw/zinc/71/38/77/1440713877.db2.gz OOZNVUPQSHGKQS-LPHOPBHVSA-N 2 1 329.488 3.014 20 30 EGEDMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001754948364 1440714095 /nfs/dbraw/zinc/71/40/95/1440714095.db2.gz HTXAZQWXXCZKFV-QKLQHJQFSA-N 2 1 343.515 3.260 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001754956322 1440716599 /nfs/dbraw/zinc/71/65/99/1440716599.db2.gz LPRXFXLJENKODD-IYARVYRRSA-N 2 1 337.552 3.195 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001754962625 1440717867 /nfs/dbraw/zinc/71/78/67/1440717867.db2.gz IWQZCQVIZZRGRQ-LJQANCHMSA-N 2 1 349.563 3.223 20 30 EGEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001755101496 1440752713 /nfs/dbraw/zinc/75/27/13/1440752713.db2.gz KXNJWLBJBIDZHI-CALCHBBNSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001755101496 1440752714 /nfs/dbraw/zinc/75/27/14/1440752714.db2.gz KXNJWLBJBIDZHI-CALCHBBNSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001755101496 1440752715 /nfs/dbraw/zinc/75/27/15/1440752715.db2.gz KXNJWLBJBIDZHI-CALCHBBNSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001755200445 1440779379 /nfs/dbraw/zinc/77/93/79/1440779379.db2.gz KSTYYBJNSLESSH-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001755200444 1440779402 /nfs/dbraw/zinc/77/94/02/1440779402.db2.gz KSTYYBJNSLESSH-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC)C2)ccc1OC ZINC000057970084 454158532 /nfs/dbraw/zinc/15/85/32/454158532.db2.gz SQQOGVDBWNPPLO-SFHVURJKSA-N 2 1 332.488 3.472 20 30 EGEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134548850 454559343 /nfs/dbraw/zinc/55/93/43/454559343.db2.gz DREGGIRKCYXMJD-XJKSGUPXSA-N 2 1 340.874 3.128 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)C1 ZINC000170911317 454998735 /nfs/dbraw/zinc/99/87/35/454998735.db2.gz UCOJABJZSDXOHZ-INIZCTEOSA-N 2 1 337.471 3.240 20 30 EGEDMP C[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665455 455592660 /nfs/dbraw/zinc/59/26/60/455592660.db2.gz OYJOPXZMRUSGNP-WMZOPIPTSA-N 2 1 327.472 3.180 20 30 EGEDMP COc1ccc(C#N)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743600 455612383 /nfs/dbraw/zinc/61/23/83/455612383.db2.gz QBVXVRJIYUWIIU-RDJZCZTQSA-N 2 1 327.472 3.309 20 30 EGEDMP COc1ccc(C#N)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743600 455612389 /nfs/dbraw/zinc/61/23/89/455612389.db2.gz QBVXVRJIYUWIIU-RDJZCZTQSA-N 2 1 327.472 3.309 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000248900828 455738422 /nfs/dbraw/zinc/73/84/22/455738422.db2.gz ULLHHUGMTYPGJL-NRSPTQNISA-N 2 1 340.515 3.037 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000271941201 455800496 /nfs/dbraw/zinc/80/04/96/455800496.db2.gz LSIIYYJIIMCHAO-GUXCAODWSA-N 2 1 347.478 3.485 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000271941201 455800506 /nfs/dbraw/zinc/80/05/06/455800506.db2.gz LSIIYYJIIMCHAO-GUXCAODWSA-N 2 1 347.478 3.485 20 30 EGEDMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285931129 455944378 /nfs/dbraw/zinc/94/43/78/455944378.db2.gz FFZQGXIXGMCYLE-UHFFFAOYSA-N 2 1 337.471 3.102 20 30 EGEDMP C=CCN1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272700885 456044026 /nfs/dbraw/zinc/04/40/26/456044026.db2.gz YOXNPDGKLOUXLL-QUCCMNQESA-N 2 1 327.516 3.137 20 30 EGEDMP CC[NH+](CC)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000299338240 456661412 /nfs/dbraw/zinc/66/14/12/456661412.db2.gz KKOGQUAEKNFGMO-UHFFFAOYSA-N 2 1 339.487 3.285 20 30 EGEDMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc(OC)c1O ZINC000353754842 456892400 /nfs/dbraw/zinc/89/24/00/456892400.db2.gz QPAPWKFPGFGTOF-MAUKXSAKSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc(OC)c1O ZINC000353754842 456892403 /nfs/dbraw/zinc/89/24/03/456892403.db2.gz QPAPWKFPGFGTOF-MAUKXSAKSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc(OC)c1O ZINC000353754842 456892407 /nfs/dbraw/zinc/89/24/07/456892407.db2.gz QPAPWKFPGFGTOF-MAUKXSAKSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc(OC)c1O ZINC000353754842 456892410 /nfs/dbraw/zinc/89/24/10/456892410.db2.gz QPAPWKFPGFGTOF-MAUKXSAKSA-N 2 1 332.488 3.434 20 30 EGEDMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000354175998 457110425 /nfs/dbraw/zinc/11/04/25/457110425.db2.gz ICTNASQYTVZIME-FQEVSTJZSA-N 2 1 327.472 3.287 20 30 EGEDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000354175998 457110431 /nfs/dbraw/zinc/11/04/31/457110431.db2.gz ICTNASQYTVZIME-FQEVSTJZSA-N 2 1 327.472 3.287 20 30 EGEDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000354175998 457110436 /nfs/dbraw/zinc/11/04/36/457110436.db2.gz ICTNASQYTVZIME-FQEVSTJZSA-N 2 1 327.472 3.287 20 30 EGEDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)C1 ZINC000354175998 457110445 /nfs/dbraw/zinc/11/04/45/457110445.db2.gz ICTNASQYTVZIME-FQEVSTJZSA-N 2 1 327.472 3.287 20 30 EGEDMP N#Cc1ccccc1OC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000358141401 457811161 /nfs/dbraw/zinc/81/11/61/457811161.db2.gz OWRJGFPPNABCMO-FUFFSDJGSA-N 2 1 339.483 3.465 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414775709 458325399 /nfs/dbraw/zinc/32/53/99/458325399.db2.gz GMQUGYJKCSRNAN-QZTJIDSGSA-N 2 1 330.472 3.082 20 30 EGEDMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000515108333 458805769 /nfs/dbraw/zinc/80/57/69/458805769.db2.gz XIDVOKHAXYCRMJ-FPOVZHCZSA-N 2 1 341.499 3.008 20 30 EGEDMP C=CCC1(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000619111332 460272613 /nfs/dbraw/zinc/27/26/13/460272613.db2.gz ZJWIZUCLNZPHJT-UHFFFAOYSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[C@]1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCC[NH2+]1 ZINC000662826251 461384793 /nfs/dbraw/zinc/38/47/93/461384793.db2.gz XTNOJGBHGCXTEX-WIYYLYMNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655777111 461440796 /nfs/dbraw/zinc/44/07/96/461440796.db2.gz RLOXUCCFUXONHI-RTWAWAEBSA-N 2 1 328.500 3.407 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647977988 461920817 /nfs/dbraw/zinc/92/08/17/461920817.db2.gz KRLYJTJQAKNFBI-RBUKOAKNSA-N 2 1 343.515 3.185 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667837173 462284189 /nfs/dbraw/zinc/28/41/89/462284189.db2.gz KQSWDHMGQDGRAF-GOSISDBHSA-N 2 1 346.515 3.273 20 30 EGEDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000173821874 533933896 /nfs/dbraw/zinc/93/38/96/533933896.db2.gz YCJVJFJPAYXPGU-KRWDZBQOSA-N 2 1 335.451 3.241 20 30 EGEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160659141 1294274031 /nfs/dbraw/zinc/27/40/31/1294274031.db2.gz YYEIWMIJHJEJDI-GFCCVEGCSA-N 2 1 344.381 3.044 20 30 EGEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160692591 1294275048 /nfs/dbraw/zinc/27/50/48/1294275048.db2.gz HCODEMIICJYOCO-LBPRGKRZSA-N 2 1 344.381 3.044 20 30 EGEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237550749 1296250697 /nfs/dbraw/zinc/25/06/97/1296250697.db2.gz IKWDBZLGXOAIGJ-MRXNPFEDSA-N 2 1 326.444 3.300 20 30 EGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000246389540 1296349873 /nfs/dbraw/zinc/34/98/73/1296349873.db2.gz PERBMMLOXQZHBK-IEBWSBKVSA-N 2 1 329.488 3.435 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NCC1(C)CC1 ZINC000261817826 1296606561 /nfs/dbraw/zinc/60/65/61/1296606561.db2.gz UCGBOPYZINWGLG-HOCLYGCPSA-N 2 1 334.533 3.096 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N2CCCCC2)C1 ZINC000303881452 1296864483 /nfs/dbraw/zinc/86/44/83/1296864483.db2.gz HTFBUVMAJSSXNR-KRWDZBQOSA-N 2 1 328.504 3.219 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000303910490 1296880592 /nfs/dbraw/zinc/88/05/92/1296880592.db2.gz YYHMXWRRLYULKV-IYBDPMFKSA-N 2 1 328.504 3.270 20 30 EGEDMP C[C@H](CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)C1CC1 ZINC000303968066 1296882024 /nfs/dbraw/zinc/88/20/24/1296882024.db2.gz AGEKYURMBBZYHY-MNOVXSKESA-N 2 1 343.302 3.441 20 30 EGEDMP C=CCc1cc(C[NH2+]C2CC[NH+](CCC)CC2)cc(OC)c1OC ZINC000775402645 1303957581 /nfs/dbraw/zinc/95/75/81/1303957581.db2.gz AMHOINATBLUNHV-UHFFFAOYSA-N 2 1 332.488 3.396 20 30 EGEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957617171 1317499198 /nfs/dbraw/zinc/49/91/98/1317499198.db2.gz AWECUCNPMOIPKC-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902871411 1317624985 /nfs/dbraw/zinc/62/49/85/1317624985.db2.gz NWPKVSLJTHOQCU-FUHIMQAGSA-N 2 1 329.488 3.488 20 30 EGEDMP C#CCOc1ccccc1C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000809754773 1317892539 /nfs/dbraw/zinc/89/25/39/1317892539.db2.gz ASYQVATZLDAJTG-UHFFFAOYSA-N 2 1 325.456 3.370 20 30 EGEDMP C#CCOc1ccccc1C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000809754773 1317892544 /nfs/dbraw/zinc/89/25/44/1317892544.db2.gz ASYQVATZLDAJTG-UHFFFAOYSA-N 2 1 325.456 3.370 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1O ZINC000840086711 1321025418 /nfs/dbraw/zinc/02/54/18/1321025418.db2.gz OMTPJVFUPUGSHH-OAQYLSRUSA-N 2 1 344.499 3.437 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000840086711 1321025422 /nfs/dbraw/zinc/02/54/22/1321025422.db2.gz OMTPJVFUPUGSHH-OAQYLSRUSA-N 2 1 344.499 3.437 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000840086711 1321025437 /nfs/dbraw/zinc/02/54/37/1321025437.db2.gz OMTPJVFUPUGSHH-OAQYLSRUSA-N 2 1 344.499 3.437 20 30 EGEDMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849065985 1322064424 /nfs/dbraw/zinc/06/44/24/1322064424.db2.gz NSLHQQKCOPQVPR-QGZVFWFLSA-N 2 1 330.520 3.204 20 30 EGEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924694926 1323116668 /nfs/dbraw/zinc/11/66/68/1323116668.db2.gz OYRQAHZXDYKSAE-SFHVURJKSA-N 2 1 342.531 3.242 20 30 EGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000924776342 1323158508 /nfs/dbraw/zinc/15/85/08/1323158508.db2.gz LMQQXSTUTBQUBB-IRXDYDNUSA-N 2 1 329.488 3.325 20 30 EGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000924776342 1323158512 /nfs/dbraw/zinc/15/85/12/1323158512.db2.gz LMQQXSTUTBQUBB-IRXDYDNUSA-N 2 1 329.488 3.325 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024691870 1323607742 /nfs/dbraw/zinc/60/77/42/1323607742.db2.gz CNEQOUXZHDWGPQ-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691870 1323607748 /nfs/dbraw/zinc/60/77/48/1323607748.db2.gz CNEQOUXZHDWGPQ-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691870 1323607753 /nfs/dbraw/zinc/60/77/53/1323607753.db2.gz CNEQOUXZHDWGPQ-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025257657 1324064649 /nfs/dbraw/zinc/06/46/49/1324064649.db2.gz FQUDRQNPUGLJBH-MOPGFXCFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000963833014 1325405849 /nfs/dbraw/zinc/40/58/49/1325405849.db2.gz JCCKMQVRZXLKOX-AFMYVXGZSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000964153048 1325483897 /nfs/dbraw/zinc/48/38/97/1325483897.db2.gz KQWWZXNOBTYQJQ-CTWPCTMYSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877313 1336076739 /nfs/dbraw/zinc/07/67/39/1336076739.db2.gz TURWJYIIPHJVBM-KRWDZBQOSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877313 1336076741 /nfs/dbraw/zinc/07/67/41/1336076741.db2.gz TURWJYIIPHJVBM-KRWDZBQOSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969681931 1336236500 /nfs/dbraw/zinc/23/65/00/1336236500.db2.gz SBMNAQJBNALRPZ-ROUUACIJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034285637 1342372954 /nfs/dbraw/zinc/37/29/54/1342372954.db2.gz ULRNRMZFHMXVRW-QGZVFWFLSA-N 2 1 340.471 3.193 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034471282 1342525850 /nfs/dbraw/zinc/52/58/50/1342525850.db2.gz BRHOVJDVNZEWDZ-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034716362 1342711119 /nfs/dbraw/zinc/71/11/19/1342711119.db2.gz YVONMGHQDDSCHA-BJLQDIEVSA-N 2 1 347.547 3.377 20 30 EGEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035809869 1343210039 /nfs/dbraw/zinc/21/00/39/1343210039.db2.gz CIURLRRNBGRYPR-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397341 1345045136 /nfs/dbraw/zinc/04/51/36/1345045136.db2.gz GCECTBIQIJHNNZ-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397341 1345045139 /nfs/dbraw/zinc/04/51/39/1345045139.db2.gz GCECTBIQIJHNNZ-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397341 1345045143 /nfs/dbraw/zinc/04/51/43/1345045143.db2.gz GCECTBIQIJHNNZ-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125235 1345950410 /nfs/dbraw/zinc/95/04/10/1345950410.db2.gz QHHSROGOKLLDLG-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125235 1345950411 /nfs/dbraw/zinc/95/04/11/1345950411.db2.gz QHHSROGOKLLDLG-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125235 1345950412 /nfs/dbraw/zinc/95/04/12/1345950412.db2.gz QHHSROGOKLLDLG-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045940602 1346776291 /nfs/dbraw/zinc/77/62/91/1346776291.db2.gz BFCRKVDJWAJEBK-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940602 1346776293 /nfs/dbraw/zinc/77/62/93/1346776293.db2.gz BFCRKVDJWAJEBK-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940602 1346776294 /nfs/dbraw/zinc/77/62/94/1346776294.db2.gz BFCRKVDJWAJEBK-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945180 1346780956 /nfs/dbraw/zinc/78/09/56/1346780956.db2.gz NXVMXYBDSRCSDF-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945180 1346780957 /nfs/dbraw/zinc/78/09/57/1346780957.db2.gz NXVMXYBDSRCSDF-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945180 1346780961 /nfs/dbraw/zinc/78/09/61/1346780961.db2.gz NXVMXYBDSRCSDF-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045972765 1346808256 /nfs/dbraw/zinc/80/82/56/1346808256.db2.gz ICAYNUSVEAUDIM-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972765 1346808258 /nfs/dbraw/zinc/80/82/58/1346808258.db2.gz ICAYNUSVEAUDIM-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972765 1346808260 /nfs/dbraw/zinc/80/82/60/1346808260.db2.gz ICAYNUSVEAUDIM-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974121 1346810422 /nfs/dbraw/zinc/81/04/22/1346810422.db2.gz YOYQCBCXQMLHMP-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049523709 1347891629 /nfs/dbraw/zinc/89/16/29/1347891629.db2.gz GKLDYEHKNCBOAH-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049523709 1347891631 /nfs/dbraw/zinc/89/16/31/1347891631.db2.gz GKLDYEHKNCBOAH-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049523709 1347891634 /nfs/dbraw/zinc/89/16/34/1347891634.db2.gz GKLDYEHKNCBOAH-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049837813 1348050112 /nfs/dbraw/zinc/05/01/12/1348050112.db2.gz RUGKZWMPRHJPRM-VAMGGRTRSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049837813 1348050116 /nfs/dbraw/zinc/05/01/16/1348050116.db2.gz RUGKZWMPRHJPRM-VAMGGRTRSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049837813 1348050118 /nfs/dbraw/zinc/05/01/18/1348050118.db2.gz RUGKZWMPRHJPRM-VAMGGRTRSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049906788 1348104886 /nfs/dbraw/zinc/10/48/86/1348104886.db2.gz AHZFOEPNYMEYFK-PMACEKPBSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052858573 1348705531 /nfs/dbraw/zinc/70/55/31/1348705531.db2.gz FKLIUIQBFOZNSG-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858573 1348705533 /nfs/dbraw/zinc/70/55/33/1348705533.db2.gz FKLIUIQBFOZNSG-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858573 1348705534 /nfs/dbraw/zinc/70/55/34/1348705534.db2.gz FKLIUIQBFOZNSG-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052990624 1348790493 /nfs/dbraw/zinc/79/04/93/1348790493.db2.gz ITRDNZKLBZUYHP-ZVDOUQERSA-N 2 1 347.547 3.137 20 30 EGEDMP C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052990624 1348790498 /nfs/dbraw/zinc/79/04/98/1348790498.db2.gz ITRDNZKLBZUYHP-ZVDOUQERSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264964 1349262864 /nfs/dbraw/zinc/26/28/64/1349262864.db2.gz XQAAPDGTTGFYHI-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264964 1349262866 /nfs/dbraw/zinc/26/28/66/1349262866.db2.gz XQAAPDGTTGFYHI-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264964 1349262867 /nfs/dbraw/zinc/26/28/67/1349262867.db2.gz XQAAPDGTTGFYHI-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071958181 1355043525 /nfs/dbraw/zinc/04/35/25/1355043525.db2.gz VCEXVHBCXLOEOF-MJGOQNOKSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080755973 1357733481 /nfs/dbraw/zinc/73/34/81/1357733481.db2.gz DIKMDGLTADPHCA-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080755973 1357733485 /nfs/dbraw/zinc/73/34/85/1357733485.db2.gz DIKMDGLTADPHCA-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080755973 1357733489 /nfs/dbraw/zinc/73/34/89/1357733489.db2.gz DIKMDGLTADPHCA-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085389380 1358486258 /nfs/dbraw/zinc/48/62/58/1358486258.db2.gz GSGWAUIPEUCBIG-GUDVDZBRSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400584 1360400179 /nfs/dbraw/zinc/40/01/79/1360400179.db2.gz JTGSKQNCXWWROR-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400584 1360400181 /nfs/dbraw/zinc/40/01/81/1360400181.db2.gz JTGSKQNCXWWROR-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400584 1360400182 /nfs/dbraw/zinc/40/01/82/1360400182.db2.gz JTGSKQNCXWWROR-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445427 1360434543 /nfs/dbraw/zinc/43/45/43/1360434543.db2.gz INGGSFGBVMKRSJ-RTBURBONSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565443 1360512062 /nfs/dbraw/zinc/51/20/62/1360512062.db2.gz SDXONRSMJDLABR-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565443 1360512063 /nfs/dbraw/zinc/51/20/63/1360512063.db2.gz SDXONRSMJDLABR-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565443 1360512066 /nfs/dbraw/zinc/51/20/66/1360512066.db2.gz SDXONRSMJDLABR-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001089649502 1360562913 /nfs/dbraw/zinc/56/29/13/1360562913.db2.gz KLCGBSIFZWVUGJ-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649502 1360562915 /nfs/dbraw/zinc/56/29/15/1360562915.db2.gz KLCGBSIFZWVUGJ-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001089649502 1360562916 /nfs/dbraw/zinc/56/29/16/1360562916.db2.gz KLCGBSIFZWVUGJ-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734053 1360638297 /nfs/dbraw/zinc/63/82/97/1360638297.db2.gz GKOSJPXFKOYZAD-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734053 1360638300 /nfs/dbraw/zinc/63/83/00/1360638300.db2.gz GKOSJPXFKOYZAD-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734053 1360638304 /nfs/dbraw/zinc/63/83/04/1360638304.db2.gz GKOSJPXFKOYZAD-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCCCCC ZINC001099271071 1363725237 /nfs/dbraw/zinc/72/52/37/1363725237.db2.gz SVCCSUHDGRPOTK-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099271071 1363725239 /nfs/dbraw/zinc/72/52/39/1363725239.db2.gz SVCCSUHDGRPOTK-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099271071 1363725241 /nfs/dbraw/zinc/72/52/41/1363725241.db2.gz SVCCSUHDGRPOTK-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396751 1364544777 /nfs/dbraw/zinc/54/47/77/1364544777.db2.gz IWWFWFGAHPFXMB-SBHAEUEKSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001185448606 1387719589 /nfs/dbraw/zinc/71/95/89/1387719589.db2.gz YPEUVTZNCVGUMP-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379923 1365526261 /nfs/dbraw/zinc/52/62/61/1365526261.db2.gz BFAMJEMSTIAITI-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426734 1365553403 /nfs/dbraw/zinc/55/34/03/1365553403.db2.gz KRDWCVANFGQRJD-GUDVDZBRSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495658 1365596888 /nfs/dbraw/zinc/59/68/88/1365596888.db2.gz MPNGVJOTHZCMTL-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495658 1365596889 /nfs/dbraw/zinc/59/68/89/1365596889.db2.gz MPNGVJOTHZCMTL-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495658 1365596893 /nfs/dbraw/zinc/59/68/93/1365596893.db2.gz MPNGVJOTHZCMTL-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495853 1365597099 /nfs/dbraw/zinc/59/70/99/1365597099.db2.gz VZZCYLDFHXOPDL-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495853 1365597103 /nfs/dbraw/zinc/59/71/03/1365597103.db2.gz VZZCYLDFHXOPDL-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495853 1365597107 /nfs/dbraw/zinc/59/71/07/1365597107.db2.gz VZZCYLDFHXOPDL-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755498 1365766352 /nfs/dbraw/zinc/76/63/52/1365766352.db2.gz JPNMYTBEWQFDRR-RTBURBONSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755498 1365766353 /nfs/dbraw/zinc/76/63/53/1365766353.db2.gz JPNMYTBEWQFDRR-RTBURBONSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755498 1365766356 /nfs/dbraw/zinc/76/63/56/1365766356.db2.gz JPNMYTBEWQFDRR-RTBURBONSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105574759 1366539477 /nfs/dbraw/zinc/53/94/77/1366539477.db2.gz GYMODPZERJPECQ-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577535 1366541493 /nfs/dbraw/zinc/54/14/93/1366541493.db2.gz WYDHNDUCJCCRAR-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106151737 1366614425 /nfs/dbraw/zinc/61/44/25/1366614425.db2.gz XPWSOWOCMCLESP-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107454659 1366969016 /nfs/dbraw/zinc/96/90/16/1366969016.db2.gz JJRXYEVZTACMQN-YLJYHZDGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454659 1366969017 /nfs/dbraw/zinc/96/90/17/1366969017.db2.gz JJRXYEVZTACMQN-YLJYHZDGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454659 1366969019 /nfs/dbraw/zinc/96/90/19/1366969019.db2.gz JJRXYEVZTACMQN-YLJYHZDGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@@H+](C)C3CCCC3)CCC[C@@H]12 ZINC001107457719 1366970374 /nfs/dbraw/zinc/97/03/74/1366970374.db2.gz LVVAMSPPMHZXNV-WIYYLYMNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)CCC[C@@H]12 ZINC001107457719 1366970376 /nfs/dbraw/zinc/97/03/76/1366970376.db2.gz LVVAMSPPMHZXNV-WIYYLYMNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)CCC[C@@H]12 ZINC001107457719 1366970379 /nfs/dbraw/zinc/97/03/79/1366970379.db2.gz LVVAMSPPMHZXNV-WIYYLYMNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520608 1367174444 /nfs/dbraw/zinc/17/44/44/1367174444.db2.gz VBQSSXLIJPGYCC-FXECBMLZSA-N 2 1 338.455 3.024 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177686 1367193043 /nfs/dbraw/zinc/19/30/43/1367193043.db2.gz RSFYBKONTGTSOH-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190177686 1367193046 /nfs/dbraw/zinc/19/30/46/1367193046.db2.gz RSFYBKONTGTSOH-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190177686 1367193049 /nfs/dbraw/zinc/19/30/49/1367193049.db2.gz RSFYBKONTGTSOH-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190325535 1367227260 /nfs/dbraw/zinc/22/72/60/1367227260.db2.gz YVFDRBVJSMLCAV-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001108715374 1367552065 /nfs/dbraw/zinc/55/20/65/1367552065.db2.gz ZSUPOEYAJGELED-LNLFQRSKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001108734857 1367566267 /nfs/dbraw/zinc/56/62/67/1367566267.db2.gz ZVUCHWUHIVBWCF-NSHGMRRFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001111161656 1368172270 /nfs/dbraw/zinc/17/22/70/1368172270.db2.gz VZCXZOFNHIQVTR-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229071 1368213146 /nfs/dbraw/zinc/21/31/46/1368213146.db2.gz UGGMUGODRKGWEJ-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658846 1368414655 /nfs/dbraw/zinc/41/46/55/1368414655.db2.gz RSEXQLYYUCJEHU-BJLQDIEVSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658846 1368414657 /nfs/dbraw/zinc/41/46/57/1368414657.db2.gz RSEXQLYYUCJEHU-BJLQDIEVSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658846 1368414659 /nfs/dbraw/zinc/41/46/59/1368414659.db2.gz RSEXQLYYUCJEHU-BJLQDIEVSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658846 1368414662 /nfs/dbraw/zinc/41/46/62/1368414662.db2.gz RSEXQLYYUCJEHU-BJLQDIEVSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658847 1368414884 /nfs/dbraw/zinc/41/48/84/1368414884.db2.gz RSEXQLYYUCJEHU-NSHGMRRFSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658847 1368414886 /nfs/dbraw/zinc/41/48/86/1368414886.db2.gz RSEXQLYYUCJEHU-NSHGMRRFSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658847 1368414888 /nfs/dbraw/zinc/41/48/88/1368414888.db2.gz RSEXQLYYUCJEHU-NSHGMRRFSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658847 1368414891 /nfs/dbraw/zinc/41/48/91/1368414891.db2.gz RSEXQLYYUCJEHU-NSHGMRRFSA-N 2 1 335.536 3.022 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196164079 1368560878 /nfs/dbraw/zinc/56/08/78/1368560878.db2.gz XJNZCGFMCXTPOE-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196164079 1368560880 /nfs/dbraw/zinc/56/08/80/1368560880.db2.gz XJNZCGFMCXTPOE-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196164079 1368560882 /nfs/dbraw/zinc/56/08/82/1368560882.db2.gz XJNZCGFMCXTPOE-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111927044 1368564050 /nfs/dbraw/zinc/56/40/50/1368564050.db2.gz WEKRLGFLMWKCRM-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111927044 1368564056 /nfs/dbraw/zinc/56/40/56/1368564056.db2.gz WEKRLGFLMWKCRM-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111927044 1368564060 /nfs/dbraw/zinc/56/40/60/1368564060.db2.gz WEKRLGFLMWKCRM-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196200790 1368567147 /nfs/dbraw/zinc/56/71/47/1368567147.db2.gz PMXZFPFGMWUGFB-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196200790 1368567150 /nfs/dbraw/zinc/56/71/50/1368567150.db2.gz PMXZFPFGMWUGFB-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001196200790 1368567151 /nfs/dbraw/zinc/56/71/51/1368567151.db2.gz PMXZFPFGMWUGFB-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111949795 1368571193 /nfs/dbraw/zinc/57/11/93/1368571193.db2.gz TZGYZQAPDCCCAH-ICSRJNTNSA-N 2 1 337.552 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111949795 1368571196 /nfs/dbraw/zinc/57/11/96/1368571196.db2.gz TZGYZQAPDCCCAH-ICSRJNTNSA-N 2 1 337.552 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CCC)C1 ZINC001111949795 1368571199 /nfs/dbraw/zinc/57/11/99/1368571199.db2.gz TZGYZQAPDCCCAH-ICSRJNTNSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285110 1368748404 /nfs/dbraw/zinc/74/84/04/1368748404.db2.gz MNXJBXWFJYUVSR-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586350 1368938212 /nfs/dbraw/zinc/93/82/12/1368938212.db2.gz VKPFYAJYRKJGBL-FPOVZHCZSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156641 1369233436 /nfs/dbraw/zinc/23/34/36/1369233436.db2.gz PQPNGOGKEZEGFL-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441704 1369430904 /nfs/dbraw/zinc/43/09/04/1369430904.db2.gz OLFRZXMZDHOQOX-IBGZPJMESA-N 2 1 339.568 3.467 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053836 1369473068 /nfs/dbraw/zinc/47/30/68/1369473068.db2.gz YYPIVXKZIRWUGI-YLJYHZDGSA-N 2 1 347.547 3.329 20 30 EGEDMP CCCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001201762736 1369618980 /nfs/dbraw/zinc/61/89/80/1369618980.db2.gz SCEUVZLVBZSZJZ-UHFFFAOYSA-N 2 1 348.535 3.260 20 30 EGEDMP CCCCCCC[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001201762736 1369618988 /nfs/dbraw/zinc/61/89/88/1369618988.db2.gz SCEUVZLVBZSZJZ-UHFFFAOYSA-N 2 1 348.535 3.260 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001202527056 1369799589 /nfs/dbraw/zinc/79/95/89/1369799589.db2.gz WFJJGWBOFDLERD-UHFFFAOYSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105357 1369985440 /nfs/dbraw/zinc/98/54/40/1369985440.db2.gz XHDHEBYLLQNJTJ-ZWKOTPCHSA-N 2 1 349.563 3.480 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001203902645 1370307425 /nfs/dbraw/zinc/30/74/25/1370307425.db2.gz HJIJLTMBVLGLBL-LJQANCHMSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857848 1371191780 /nfs/dbraw/zinc/19/17/80/1371191780.db2.gz SZKPKMAUZBDTFD-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001207486346 1371411245 /nfs/dbraw/zinc/41/12/45/1371411245.db2.gz GRHOATBATAHRHR-HXUWFJFHSA-N 2 1 327.472 3.133 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120207742 1371504457 /nfs/dbraw/zinc/50/44/57/1371504457.db2.gz CTKUGKLEHAXBBI-MRXNPFEDSA-N 2 1 341.927 3.022 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790844 1371504911 /nfs/dbraw/zinc/50/49/11/1371504911.db2.gz ZQSYYDVRGVNFLH-ZHALLVOQSA-N 2 1 349.563 3.431 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790844 1371504913 /nfs/dbraw/zinc/50/49/13/1371504913.db2.gz ZQSYYDVRGVNFLH-ZHALLVOQSA-N 2 1 349.563 3.431 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790844 1371504917 /nfs/dbraw/zinc/50/49/17/1371504917.db2.gz ZQSYYDVRGVNFLH-ZHALLVOQSA-N 2 1 349.563 3.431 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049664 1371580310 /nfs/dbraw/zinc/58/03/10/1371580310.db2.gz PNNXPLMEBLLYKD-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120450575 1371581711 /nfs/dbraw/zinc/58/17/11/1371581711.db2.gz WRSRZXFCOCVDGG-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114711 1371599350 /nfs/dbraw/zinc/59/93/50/1371599350.db2.gz SSVSITLQGRXLOR-GUDVDZBRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334336 1371722170 /nfs/dbraw/zinc/72/21/70/1371722170.db2.gz IJQPPMQVIJMOPX-MSOLQXFVSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001121340736 1371942424 /nfs/dbraw/zinc/94/24/24/1371942424.db2.gz GZUQTYBLGXBQRJ-UHFFFAOYSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCC1CC1 ZINC001209160744 1372018626 /nfs/dbraw/zinc/01/86/26/1372018626.db2.gz BLBOMEOKUFFHCL-SFTDATJTSA-N 2 1 332.532 3.413 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337882 1372326612 /nfs/dbraw/zinc/32/66/12/1372326612.db2.gz WVPOOIARRFIOGS-SJLPKXTDSA-N 2 1 346.519 3.168 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001210337882 1372326615 /nfs/dbraw/zinc/32/66/15/1372326615.db2.gz WVPOOIARRFIOGS-SJLPKXTDSA-N 2 1 346.519 3.168 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216323873 1373300388 /nfs/dbraw/zinc/30/03/88/1373300388.db2.gz NHTQZKYIDHOLGN-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105851 1375150860 /nfs/dbraw/zinc/15/08/60/1375150860.db2.gz NSHVJKRODQHIMJ-MSOLQXFVSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183413 1375192903 /nfs/dbraw/zinc/19/29/03/1375192903.db2.gz ONCPLBNVLWXUCZ-SJLPKXTDSA-N 2 1 334.508 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183413 1375192906 /nfs/dbraw/zinc/19/29/06/1375192906.db2.gz ONCPLBNVLWXUCZ-SJLPKXTDSA-N 2 1 334.508 3.131 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227082896 1375386269 /nfs/dbraw/zinc/38/62/69/1375386269.db2.gz KSODFDSYIOIJBJ-QRVBRYPASA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887216 1375625971 /nfs/dbraw/zinc/62/59/71/1375625971.db2.gz CVIAZLXYOMCIJR-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132978639 1375692224 /nfs/dbraw/zinc/69/22/24/1375692224.db2.gz VHPJXFFYKHILBI-PKOBYXMFSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133185854 1375829814 /nfs/dbraw/zinc/82/98/14/1375829814.db2.gz JZNHTQSBPWBXFD-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230286763 1375984209 /nfs/dbraw/zinc/98/42/09/1375984209.db2.gz SFTPGRLKGUQLET-VAMGGRTRSA-N 2 1 343.515 3.273 20 30 EGEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013386 1376382094 /nfs/dbraw/zinc/38/20/94/1376382094.db2.gz MYIWDAIQMHDOTQ-VQTJNVASSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CC[N@H+](C[C@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001252935338 1377093551 /nfs/dbraw/zinc/09/35/51/1377093551.db2.gz ZIKTYZBHCMEKMY-NRFANRHFSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CC[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252935338 1377093554 /nfs/dbraw/zinc/09/35/54/1377093554.db2.gz ZIKTYZBHCMEKMY-NRFANRHFSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CC[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252935338 1377093557 /nfs/dbraw/zinc/09/35/57/1377093557.db2.gz ZIKTYZBHCMEKMY-NRFANRHFSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CC[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252935338 1377093558 /nfs/dbraw/zinc/09/35/58/1377093558.db2.gz ZIKTYZBHCMEKMY-NRFANRHFSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CC[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252935338 1377093562 /nfs/dbraw/zinc/09/35/62/1377093562.db2.gz ZIKTYZBHCMEKMY-NRFANRHFSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803620 1378141410 /nfs/dbraw/zinc/14/14/10/1378141410.db2.gz UMXFZVRWNHBJJS-HXUWFJFHSA-N 2 1 338.455 3.096 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)CC2 ZINC001140803620 1378141411 /nfs/dbraw/zinc/14/14/11/1378141411.db2.gz UMXFZVRWNHBJJS-HXUWFJFHSA-N 2 1 338.455 3.096 20 30 EGEDMP N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804939 1378144902 /nfs/dbraw/zinc/14/49/02/1378144902.db2.gz LBVWSTKFTSZNRF-KRWDZBQOSA-N 2 1 332.407 3.478 20 30 EGEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804939 1378144904 /nfs/dbraw/zinc/14/49/04/1378144904.db2.gz LBVWSTKFTSZNRF-KRWDZBQOSA-N 2 1 332.407 3.478 20 30 EGEDMP N#Cc1cc(F)ccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001141164260 1378255958 /nfs/dbraw/zinc/25/59/58/1378255958.db2.gz SWAAVIOYBOFXFK-UHFFFAOYSA-N 2 1 345.462 3.022 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147358326 1379008428 /nfs/dbraw/zinc/00/84/28/1379008428.db2.gz GELUTDFTPFBKGU-SFHVURJKSA-N 2 1 325.541 3.317 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147742311 1379070523 /nfs/dbraw/zinc/07/05/23/1379070523.db2.gz GKFOROQQNOKBFB-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147742311 1379070526 /nfs/dbraw/zinc/07/05/26/1379070526.db2.gz GKFOROQQNOKBFB-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147742311 1379070530 /nfs/dbraw/zinc/07/05/30/1379070530.db2.gz GKFOROQQNOKBFB-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148476909 1379180872 /nfs/dbraw/zinc/18/08/72/1379180872.db2.gz AAWPSSXBQQLDKC-OALUTQOASA-N 2 1 349.563 3.242 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001153677427 1380113605 /nfs/dbraw/zinc/11/36/05/1380113605.db2.gz CTYPAMFMMMEJBV-MSOLQXFVSA-N 2 1 345.547 3.463 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069393 1380198741 /nfs/dbraw/zinc/19/87/41/1380198741.db2.gz BXSJRXOINKFGEG-QGZVFWFLSA-N 2 1 325.541 3.290 20 30 EGEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069393 1380198744 /nfs/dbraw/zinc/19/87/44/1380198744.db2.gz BXSJRXOINKFGEG-QGZVFWFLSA-N 2 1 325.541 3.290 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069393 1380198746 /nfs/dbraw/zinc/19/87/46/1380198746.db2.gz BXSJRXOINKFGEG-QGZVFWFLSA-N 2 1 325.541 3.290 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155227333 1380426817 /nfs/dbraw/zinc/42/68/17/1380426817.db2.gz ZIDOKGODAIPZRW-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227333 1380426815 /nfs/dbraw/zinc/42/68/15/1380426815.db2.gz ZIDOKGODAIPZRW-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155227333 1380426816 /nfs/dbraw/zinc/42/68/16/1380426816.db2.gz ZIDOKGODAIPZRW-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444963 1382413528 /nfs/dbraw/zinc/41/35/28/1382413528.db2.gz NTTUSGONGMZWFC-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444963 1382413531 /nfs/dbraw/zinc/41/35/31/1382413531.db2.gz NTTUSGONGMZWFC-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444963 1382413534 /nfs/dbraw/zinc/41/35/34/1382413534.db2.gz NTTUSGONGMZWFC-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161490971 1382420775 /nfs/dbraw/zinc/42/07/75/1382420775.db2.gz FABGIJJRKCRQTR-IBGZPJMESA-N 2 1 335.536 3.067 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946963 1382565728 /nfs/dbraw/zinc/56/57/28/1382565728.db2.gz OFWCMJMLDDLLOT-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946963 1382565739 /nfs/dbraw/zinc/56/57/39/1382565739.db2.gz OFWCMJMLDDLLOT-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP Cc1ccc(CC#N)c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)[nH+]1 ZINC001165417286 1383291620 /nfs/dbraw/zinc/29/16/20/1383291620.db2.gz CAISMRRFKLVBOS-CTNGQTDRSA-N 2 1 332.451 3.040 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485418 1383301981 /nfs/dbraw/zinc/30/19/81/1383301981.db2.gz VJAFPFNOGJIXFF-IBGZPJMESA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240973 1383573072 /nfs/dbraw/zinc/57/30/72/1383573072.db2.gz XVNGNXZNIKPHRZ-QGZVFWFLSA-N 2 1 337.552 3.195 20 30 EGEDMP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168105978 1383817852 /nfs/dbraw/zinc/81/78/52/1383817852.db2.gz XUOYZMUXOCDRGH-KNTRFNDTSA-N 2 1 327.472 3.198 20 30 EGEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001169142172 1384112924 /nfs/dbraw/zinc/11/29/24/1384112924.db2.gz AIUJHBDPSCPWSM-RDGPPVDQSA-N 2 1 325.456 3.027 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001169142172 1384112926 /nfs/dbraw/zinc/11/29/26/1384112926.db2.gz AIUJHBDPSCPWSM-RDGPPVDQSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001169142172 1384112928 /nfs/dbraw/zinc/11/29/28/1384112928.db2.gz AIUJHBDPSCPWSM-RDGPPVDQSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001169142172 1384112930 /nfs/dbraw/zinc/11/29/30/1384112930.db2.gz AIUJHBDPSCPWSM-RDGPPVDQSA-N 2 1 325.456 3.027 20 30 EGEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172119871 1384733283 /nfs/dbraw/zinc/73/32/83/1384733283.db2.gz BXGZWMXBSKIURK-CRSSMBPESA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCO2 ZINC001172119871 1384733288 /nfs/dbraw/zinc/73/32/88/1384733288.db2.gz BXGZWMXBSKIURK-CRSSMBPESA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCO2 ZINC001172119871 1384733291 /nfs/dbraw/zinc/73/32/91/1384733291.db2.gz BXGZWMXBSKIURK-CRSSMBPESA-N 2 1 348.531 3.075 20 30 EGEDMP CCOCC[C@@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172421221 1384788443 /nfs/dbraw/zinc/78/84/43/1384788443.db2.gz PBSHPWDBRLITTH-NSISKUIASA-N 2 1 329.488 3.445 20 30 EGEDMP C=CCOC1CCC([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001173314285 1384956186 /nfs/dbraw/zinc/95/61/86/1384956186.db2.gz NAWIDMZKVANCKO-HNZUOSPBSA-N 2 1 326.484 3.220 20 30 EGEDMP C=CCOC1CCC([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001173314285 1384956192 /nfs/dbraw/zinc/95/61/92/1384956192.db2.gz NAWIDMZKVANCKO-HNZUOSPBSA-N 2 1 326.484 3.220 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176022948 1385463732 /nfs/dbraw/zinc/46/37/32/1385463732.db2.gz DPGMVVKNAXUKRE-SFHVURJKSA-N 2 1 325.541 3.339 20 30 EGEDMP C[NH+](C)Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001176289876 1385539598 /nfs/dbraw/zinc/53/95/98/1385539598.db2.gz TYHBSWDNHSJJRO-UHFFFAOYSA-N 2 1 326.469 3.413 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754138 1385684206 /nfs/dbraw/zinc/68/42/06/1385684206.db2.gz RLOQWZXKBZKQOM-GOSISDBHSA-N 2 1 325.541 3.338 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001177349024 1385924308 /nfs/dbraw/zinc/92/43/08/1385924308.db2.gz UYWLFEVEFJHIFI-VQTJNVASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001177394219 1385941289 /nfs/dbraw/zinc/94/12/89/1385941289.db2.gz CERYJANHUASZAI-HXUWFJFHSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CCCn1cc[nH+]c1C ZINC001177440344 1385957661 /nfs/dbraw/zinc/95/76/61/1385957661.db2.gz HBJNDUYYVDQLKI-UHFFFAOYSA-N 2 1 346.519 3.156 20 30 EGEDMP CCCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179590287 1386525214 /nfs/dbraw/zinc/52/52/14/1386525214.db2.gz GRPNEJYVCKXBFP-RBUKOAKNSA-N 2 1 339.568 3.421 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179792450 1386587237 /nfs/dbraw/zinc/58/72/37/1386587237.db2.gz NMMOCEXFUGWVGG-RBUKOAKNSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181727700 1387046961 /nfs/dbraw/zinc/04/69/61/1387046961.db2.gz CHKRERJJDXDZBW-SLYNCCJLSA-N 2 1 347.547 3.044 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001345604527 1390868280 /nfs/dbraw/zinc/86/82/80/1390868280.db2.gz BASVMRGPYFNZEN-QGZVFWFLSA-N 2 1 342.487 3.131 20 30 EGEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001700446193 1414022271 /nfs/dbraw/zinc/02/22/71/1414022271.db2.gz KFBBSSCCNQMOBL-INIZCTEOSA-N 2 1 343.943 3.076 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752840752 1440230316 /nfs/dbraw/zinc/23/03/16/1440230316.db2.gz MGJNNUKUOYWHRX-ZWKOTPCHSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752840752 1440230317 /nfs/dbraw/zinc/23/03/17/1440230317.db2.gz MGJNNUKUOYWHRX-ZWKOTPCHSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001753282095 1440347779 /nfs/dbraw/zinc/34/77/79/1440347779.db2.gz ACFLBDZAQXIAOI-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001753573217 1440438808 /nfs/dbraw/zinc/43/88/08/1440438808.db2.gz NSXQSYYYRLJHLP-FQEVSTJZSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001754726436 1440676389 /nfs/dbraw/zinc/67/63/89/1440676389.db2.gz ACTBSGNSJTUQEU-PXNSSMCTSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001754726436 1440676390 /nfs/dbraw/zinc/67/63/90/1440676390.db2.gz ACTBSGNSJTUQEU-PXNSSMCTSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001755026511 1440729117 /nfs/dbraw/zinc/72/91/17/1440729117.db2.gz QXGJZFGALYXAMW-QGZVFWFLSA-N 2 1 340.471 3.193 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001755722381 1440907877 /nfs/dbraw/zinc/90/78/77/1440907877.db2.gz ODXSRXMAOXMQMD-XLIONFOSSA-N 2 1 343.515 3.297 20 30 EGEDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000072725742 454333368 /nfs/dbraw/zinc/33/33/68/454333368.db2.gz KLSZLECTZIGTRY-UHFFFAOYSA-N 2 1 339.487 3.141 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000072727268 454333542 /nfs/dbraw/zinc/33/35/42/454333542.db2.gz KHKGHVJVPLLXDL-GOSISDBHSA-N 2 1 328.504 3.391 20 30 EGEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccccc2)n1 ZINC000073381180 454429551 /nfs/dbraw/zinc/42/95/51/454429551.db2.gz YKNGHDVNBQMBKJ-UHFFFAOYSA-N 2 1 349.482 3.180 20 30 EGEDMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OCCCC#N ZINC000064613276 454494066 /nfs/dbraw/zinc/49/40/66/454494066.db2.gz YFBKPSONKGCIIB-UHFFFAOYSA-N 2 1 333.476 3.055 20 30 EGEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180242501 455151285 /nfs/dbraw/zinc/15/12/85/455151285.db2.gz QLFAKQLMPHPYGS-UHFFFAOYSA-N 2 1 348.454 3.034 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000181415772 455331893 /nfs/dbraw/zinc/33/18/93/455331893.db2.gz VDHBDFGCAIPDGX-QGZVFWFLSA-N 2 1 335.451 3.241 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)[C@H](C)C1 ZINC000247082589 455556955 /nfs/dbraw/zinc/55/69/55/455556955.db2.gz NOQLDGLEBYOEIH-HLIPFELVSA-N 2 1 329.488 3.346 20 30 EGEDMP N#CCC[C@@H](C#N)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293395181 455784748 /nfs/dbraw/zinc/78/47/48/455784748.db2.gz QUWDIWUQLZOVBH-FQEVSTJZSA-N 2 1 336.483 3.418 20 30 EGEDMP N#CCC[C@@H](C#N)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293395181 455784753 /nfs/dbraw/zinc/78/47/53/455784753.db2.gz QUWDIWUQLZOVBH-FQEVSTJZSA-N 2 1 336.483 3.418 20 30 EGEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sccc2C#N)CC1 ZINC000328715695 456744273 /nfs/dbraw/zinc/74/42/73/456744273.db2.gz ONLHJTNWCRZCJJ-UHFFFAOYSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1)CC1CC1 ZINC000361551553 457790294 /nfs/dbraw/zinc/79/02/94/457790294.db2.gz WCBFCJIGJVBJSS-UHFFFAOYSA-N 2 1 328.504 3.231 20 30 EGEDMP CC1(C#N)CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423364880 458431587 /nfs/dbraw/zinc/43/15/87/458431587.db2.gz KBMMLWAPXWDAJI-CUCAAIEXSA-N 2 1 333.426 3.472 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494657570 458721728 /nfs/dbraw/zinc/72/17/28/458721728.db2.gz AQOGQSNKJVFILW-JKSUJKDBSA-N 2 1 339.524 3.308 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2)CC1 ZINC000532515209 459105145 /nfs/dbraw/zinc/10/51/45/459105145.db2.gz JPIMENYBHIBUJF-KRWDZBQOSA-N 2 1 329.488 3.342 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598612746 459963195 /nfs/dbraw/zinc/96/31/95/459963195.db2.gz SCKSSFUHUVGKBR-BWPNAZKDSA-N 2 1 343.515 3.033 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)C1 ZINC000602514763 459978056 /nfs/dbraw/zinc/97/80/56/459978056.db2.gz LVMFNOWIMDFOCZ-QGZVFWFLSA-N 2 1 334.467 3.475 20 30 EGEDMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](C)CCC#N)CC2)cs1 ZINC000602555066 459995770 /nfs/dbraw/zinc/99/57/70/459995770.db2.gz GMLSEFQWFJPTSA-HNNXBMFYSA-N 2 1 334.533 3.447 20 30 EGEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112365 460245300 /nfs/dbraw/zinc/24/53/00/460245300.db2.gz XMRDETQZHBBFLB-UHFFFAOYSA-N 2 1 345.487 3.144 20 30 EGEDMP C=CCCC[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654984351 462440819 /nfs/dbraw/zinc/44/08/19/462440819.db2.gz AWHNLVJQOUKPEG-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000152962172 526605576 /nfs/dbraw/zinc/60/55/76/526605576.db2.gz YMLBPANGWINJKR-RXVVDRJESA-N 2 1 327.516 3.280 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NCC(C)(C)C ZINC000081984187 1292678387 /nfs/dbraw/zinc/67/83/87/1292678387.db2.gz SNTDFTZFPDJOIU-HOCLYGCPSA-N 2 1 336.549 3.342 20 30 EGEDMP CCCC[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160723723 1294276034 /nfs/dbraw/zinc/27/60/34/1294276034.db2.gz VKQUQXKYCKVTCB-UHFFFAOYSA-N 2 1 332.370 3.044 20 30 EGEDMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C#N)ccc1Br ZINC000921555992 1322351359 /nfs/dbraw/zinc/35/13/59/1322351359.db2.gz HPOWLOZQOQARNT-UHFFFAOYSA-N 2 1 333.233 3.006 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)C1 ZINC000303883405 1296867459 /nfs/dbraw/zinc/86/74/59/1296867459.db2.gz IOERHTOMTBAADM-IYBDPMFKSA-N 2 1 330.520 3.367 20 30 EGEDMP C[C@]1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311840345 1297110100 /nfs/dbraw/zinc/11/01/00/1297110100.db2.gz UFHUUMGMUXKREG-FCHUYYIVSA-N 2 1 349.478 3.093 20 30 EGEDMP C=C(C[NH+](C)C)C(=O)N(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000764474439 1302068415 /nfs/dbraw/zinc/06/84/15/1302068415.db2.gz ZTVHEGRYMRLAPA-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C[N@@H+](Cc1ccccc1)C1CCC(=NNCC[NH+]2CCCCC2)CC1 ZINC000797787699 1310246382 /nfs/dbraw/zinc/24/63/82/1310246382.db2.gz ZPHNRKQWQCPETM-UHFFFAOYSA-N 2 1 342.531 3.493 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957544890 1317439878 /nfs/dbraw/zinc/43/98/78/1317439878.db2.gz AOENYEFHLHGIQB-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561182 1317458495 /nfs/dbraw/zinc/45/84/95/1317458495.db2.gz IOPQWCXLYQLWSP-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C#CCOc1ccc(C[N@@H+](C)CCCc2[nH+]ccn2CCC)cc1 ZINC000809756473 1317891556 /nfs/dbraw/zinc/89/15/56/1317891556.db2.gz RDUVFJZQZSKGAY-UHFFFAOYSA-N 2 1 325.456 3.370 20 30 EGEDMP C#CCOc1ccc(C[N@H+](C)CCCc2[nH+]ccn2CCC)cc1 ZINC000809756473 1317891564 /nfs/dbraw/zinc/89/15/64/1317891564.db2.gz RDUVFJZQZSKGAY-UHFFFAOYSA-N 2 1 325.456 3.370 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000849097454 1322077334 /nfs/dbraw/zinc/07/73/34/1322077334.db2.gz HOLOHAKXPXNILZ-GOSISDBHSA-N 2 1 339.487 3.042 20 30 EGEDMP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093864 1323277736 /nfs/dbraw/zinc/27/77/36/1323277736.db2.gz SMTNABHVGFDOHL-HXUWFJFHSA-N 2 1 326.484 3.300 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024615523 1323542403 /nfs/dbraw/zinc/54/24/03/1323542403.db2.gz USZBFQKXAMCWCO-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615523 1323542409 /nfs/dbraw/zinc/54/24/09/1323542409.db2.gz USZBFQKXAMCWCO-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615523 1323542414 /nfs/dbraw/zinc/54/24/14/1323542414.db2.gz USZBFQKXAMCWCO-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239632 1324033345 /nfs/dbraw/zinc/03/33/45/1324033345.db2.gz HAQRWVKRPUTVON-MOPGFXCFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025275545 1324095366 /nfs/dbraw/zinc/09/53/66/1324095366.db2.gz XYNDWQPLQLMRSG-ZWKOTPCHSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025275545 1324095368 /nfs/dbraw/zinc/09/53/68/1324095368.db2.gz XYNDWQPLQLMRSG-ZWKOTPCHSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433814 1324273270 /nfs/dbraw/zinc/27/32/70/1324273270.db2.gz PNBPHAPENHUMDQ-CVEARBPZSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025627615 1324479051 /nfs/dbraw/zinc/47/90/51/1324479051.db2.gz ADHQUIRQZWDUPZ-QZTJIDSGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000964015566 1325476164 /nfs/dbraw/zinc/47/61/64/1325476164.db2.gz VFXGJJFXBLIBLZ-ACBHZAAOSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885272 1328352443 /nfs/dbraw/zinc/35/24/43/1328352443.db2.gz CFOMHNRVCGUXOR-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885272 1328352451 /nfs/dbraw/zinc/35/24/51/1328352451.db2.gz CFOMHNRVCGUXOR-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885272 1328352458 /nfs/dbraw/zinc/35/24/58/1328352458.db2.gz CFOMHNRVCGUXOR-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945338306 1332561052 /nfs/dbraw/zinc/56/10/52/1332561052.db2.gz ZSZRSNHTSNPTBZ-FUHWJXTLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687419 1336011600 /nfs/dbraw/zinc/01/16/00/1336011600.db2.gz ASXYLIDOOJFXPB-WMZOPIPTSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924234 1338771490 /nfs/dbraw/zinc/77/14/90/1338771490.db2.gz SISRAOSYTBXJGQ-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437561 1342499111 /nfs/dbraw/zinc/49/91/11/1342499111.db2.gz HJOKZYBVJPSMLJ-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035202553 1343015071 /nfs/dbraw/zinc/01/50/71/1343015071.db2.gz YZTJCWDRLVDPJO-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)CC2 ZINC001035202553 1343015077 /nfs/dbraw/zinc/01/50/77/1343015077.db2.gz YZTJCWDRLVDPJO-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)CC2 ZINC001035202553 1343015080 /nfs/dbraw/zinc/01/50/80/1343015080.db2.gz YZTJCWDRLVDPJO-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230421 1345386008 /nfs/dbraw/zinc/38/60/08/1345386008.db2.gz CEMNEVBSWDKWAP-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230421 1345386010 /nfs/dbraw/zinc/38/60/10/1345386010.db2.gz CEMNEVBSWDKWAP-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230421 1345386012 /nfs/dbraw/zinc/38/60/12/1345386012.db2.gz CEMNEVBSWDKWAP-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040328581 1345435176 /nfs/dbraw/zinc/43/51/76/1345435176.db2.gz NLAYCHKKZPTEII-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040723830 1345571040 /nfs/dbraw/zinc/57/10/40/1345571040.db2.gz MNISQPXLLYUCKN-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942799 1346778837 /nfs/dbraw/zinc/77/88/37/1346778837.db2.gz ZYBWFDDZFXLMQR-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986184 1346827455 /nfs/dbraw/zinc/82/74/55/1346827455.db2.gz JICLJFSPRMVTTC-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986184 1346827457 /nfs/dbraw/zinc/82/74/57/1346827457.db2.gz JICLJFSPRMVTTC-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986184 1346827458 /nfs/dbraw/zinc/82/74/58/1346827458.db2.gz JICLJFSPRMVTTC-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049834539 1348048054 /nfs/dbraw/zinc/04/80/54/1348048054.db2.gz BNQHLRZOWRCCDR-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049834539 1348048056 /nfs/dbraw/zinc/04/80/56/1348048056.db2.gz BNQHLRZOWRCCDR-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049834539 1348048059 /nfs/dbraw/zinc/04/80/59/1348048059.db2.gz BNQHLRZOWRCCDR-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052376861 1348535038 /nfs/dbraw/zinc/53/50/38/1348535038.db2.gz JYWGNKXDBPISJJ-SFHVURJKSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052789046 1348680046 /nfs/dbraw/zinc/68/00/46/1348680046.db2.gz WQBJAXVPRAVCAC-HXUWFJFHSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955288 1348769359 /nfs/dbraw/zinc/76/93/59/1348769359.db2.gz CFPZVTGMHGNIHV-LJQANCHMSA-N 2 1 343.515 3.299 20 30 EGEDMP C=CCC[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088652 1348914170 /nfs/dbraw/zinc/91/41/70/1348914170.db2.gz YTPKRGGCTZWFSJ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088652 1348914172 /nfs/dbraw/zinc/91/41/72/1348914172.db2.gz YTPKRGGCTZWFSJ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088652 1348914177 /nfs/dbraw/zinc/91/41/77/1348914177.db2.gz YTPKRGGCTZWFSJ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088655 1348914546 /nfs/dbraw/zinc/91/45/46/1348914546.db2.gz YTPKRGGCTZWFSJ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088655 1348914554 /nfs/dbraw/zinc/91/45/54/1348914554.db2.gz YTPKRGGCTZWFSJ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088655 1348914558 /nfs/dbraw/zinc/91/45/58/1348914558.db2.gz YTPKRGGCTZWFSJ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071975789 1355055221 /nfs/dbraw/zinc/05/52/21/1355055221.db2.gz ZERVNLQEAGMXTG-XLIONFOSSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084768114 1358304818 /nfs/dbraw/zinc/30/48/18/1358304818.db2.gz WDJAXBJWTBGYJH-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768114 1358304825 /nfs/dbraw/zinc/30/48/25/1358304825.db2.gz WDJAXBJWTBGYJH-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768114 1358304827 /nfs/dbraw/zinc/30/48/27/1358304827.db2.gz WDJAXBJWTBGYJH-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749323 1359626039 /nfs/dbraw/zinc/62/60/39/1359626039.db2.gz GAIMLIYSMNNSQR-CEXWTWQISA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087790926 1359647774 /nfs/dbraw/zinc/64/77/74/1359647774.db2.gz MVKBNYMPEBLMOL-VQTJNVASSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC(C)(C)C1 ZINC001089442558 1360432776 /nfs/dbraw/zinc/43/27/76/1360432776.db2.gz QBFXJHUZWTXYNK-QGZVFWFLSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511280 1360482964 /nfs/dbraw/zinc/48/29/64/1360482964.db2.gz PNFDMMRDLIQGGI-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511280 1360482966 /nfs/dbraw/zinc/48/29/66/1360482966.db2.gz PNFDMMRDLIQGGI-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656284 1360568004 /nfs/dbraw/zinc/56/80/04/1360568004.db2.gz FAIGHFOYEWNQMQ-GOSISDBHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184578895 1387497554 /nfs/dbraw/zinc/49/75/54/1387497554.db2.gz ZXFDYCISTZIEQW-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185090051 1387616170 /nfs/dbraw/zinc/61/61/70/1387616170.db2.gz IMESEHBZZYDJDR-RTBURBONSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106277 1363624703 /nfs/dbraw/zinc/62/47/03/1363624703.db2.gz CPFANEPYGQXDDF-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106277 1363624705 /nfs/dbraw/zinc/62/47/05/1363624705.db2.gz CPFANEPYGQXDDF-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106277 1363624708 /nfs/dbraw/zinc/62/47/08/1363624708.db2.gz CPFANEPYGQXDDF-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001099121144 1363635977 /nfs/dbraw/zinc/63/59/77/1363635977.db2.gz JEVFEUPYNPLJQZ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001099121144 1363635981 /nfs/dbraw/zinc/63/59/81/1363635981.db2.gz JEVFEUPYNPLJQZ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099121144 1363635982 /nfs/dbraw/zinc/63/59/82/1363635982.db2.gz JEVFEUPYNPLJQZ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001099121144 1363635986 /nfs/dbraw/zinc/63/59/86/1363635986.db2.gz JEVFEUPYNPLJQZ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001099154047 1363659964 /nfs/dbraw/zinc/65/99/64/1363659964.db2.gz TYUJHBYRPDRELQ-RBUKOAKNSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251194 1363713614 /nfs/dbraw/zinc/71/36/14/1363713614.db2.gz HMUKVCVPFULZHE-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099320169 1363747614 /nfs/dbraw/zinc/74/76/14/1363747614.db2.gz HOTZZKROHSRBJF-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099320169 1363747622 /nfs/dbraw/zinc/74/76/22/1363747622.db2.gz HOTZZKROHSRBJF-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099320169 1363747626 /nfs/dbraw/zinc/74/76/26/1363747626.db2.gz HOTZZKROHSRBJF-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001099350228 1363766869 /nfs/dbraw/zinc/76/68/69/1363766869.db2.gz YEVJEBHUTXAYFL-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354157 1363767942 /nfs/dbraw/zinc/76/79/42/1363767942.db2.gz NJJGCWSTNXXJAX-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001100345327 1364086090 /nfs/dbraw/zinc/08/60/90/1364086090.db2.gz ZXTHDNVDPLXYKJ-WZOJCFFYSA-N 2 1 337.552 3.172 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001101547843 1364611902 /nfs/dbraw/zinc/61/19/02/1364611902.db2.gz RKQNTQOOZFUCTL-SFHVURJKSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001101591323 1364642265 /nfs/dbraw/zinc/64/22/65/1364642265.db2.gz SBPCDQLMQYVPFH-UHFFFAOYSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472205 1365074323 /nfs/dbraw/zinc/07/43/23/1365074323.db2.gz OJAJGIWHCUNHHX-QRVBRYPASA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291799 1365977894 /nfs/dbraw/zinc/97/78/94/1365977894.db2.gz VRJADJGNBADVQZ-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753740 1366157963 /nfs/dbraw/zinc/15/79/63/1366157963.db2.gz QLWUPFZNPHQYAP-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104895644 1366213649 /nfs/dbraw/zinc/21/36/49/1366213649.db2.gz DPBLAMCBRMCHDQ-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518074 1366505182 /nfs/dbraw/zinc/50/51/82/1366505182.db2.gz QHEANSGMPAZQFG-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556721 1366529110 /nfs/dbraw/zinc/52/91/10/1366529110.db2.gz NVVXXLRDHLKPBT-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001105563239 1366533080 /nfs/dbraw/zinc/53/30/80/1366533080.db2.gz HNGNAOUKANSABB-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107581665 1367056036 /nfs/dbraw/zinc/05/60/36/1367056036.db2.gz IBLMCGLFFDCVGI-SVFBPWRDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190173781 1367190652 /nfs/dbraw/zinc/19/06/52/1367190652.db2.gz AITVCQCYPMGJEX-ZWKOTPCHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212541 1367200558 /nfs/dbraw/zinc/20/05/58/1367200558.db2.gz FFMUBOJQBDWMAF-HSALFYBXSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724480 1367293303 /nfs/dbraw/zinc/29/33/03/1367293303.db2.gz VJRJOJQOKAZRRP-MHORFTMASA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724480 1367293311 /nfs/dbraw/zinc/29/33/11/1367293311.db2.gz VJRJOJQOKAZRRP-MHORFTMASA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109724480 1367293316 /nfs/dbraw/zinc/29/33/16/1367293316.db2.gz VJRJOJQOKAZRRP-MHORFTMASA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115171 1367507590 /nfs/dbraw/zinc/50/75/90/1367507590.db2.gz QTCUFGBOGSZNQI-YRPNKDGESA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192398756 1367774006 /nfs/dbraw/zinc/77/40/06/1367774006.db2.gz QVZWSOYKFVGEJT-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398756 1367774007 /nfs/dbraw/zinc/77/40/07/1367774007.db2.gz QVZWSOYKFVGEJT-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398756 1367774011 /nfs/dbraw/zinc/77/40/11/1367774011.db2.gz QVZWSOYKFVGEJT-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862173 1368041488 /nfs/dbraw/zinc/04/14/88/1368041488.db2.gz ARAFPRAHHYLELD-MANSERQUSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071967 1368178239 /nfs/dbraw/zinc/17/82/39/1368178239.db2.gz KKZVXCMGILOXRS-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226636 1368212020 /nfs/dbraw/zinc/21/20/20/1368212020.db2.gz DIIZCJUZBXMPKP-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874972 1368521275 /nfs/dbraw/zinc/52/12/75/1368521275.db2.gz JZKGNNFVWPHKSZ-BJLQDIEVSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198259476 1368991997 /nfs/dbraw/zinc/99/19/97/1368991997.db2.gz MFWQEGBZAGKCCK-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966050 1369113555 /nfs/dbraw/zinc/11/35/55/1369113555.db2.gz SVOVYJLKOYEBSS-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001113247786 1369290823 /nfs/dbraw/zinc/29/08/23/1369290823.db2.gz GBXXYJGNAAORPM-LJQANCHMSA-N 2 1 337.552 3.223 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536915 1370533722 /nfs/dbraw/zinc/53/37/22/1370533722.db2.gz MZBPEBHBNWMOJY-RTBURBONSA-N 2 1 347.547 3.236 20 30 EGEDMP N#Cc1cc(Br)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735404 1370559455 /nfs/dbraw/zinc/55/94/55/1370559455.db2.gz SVVSZCATNAGJFH-UHFFFAOYSA-N 2 1 348.288 3.286 20 30 EGEDMP N#Cc1cc(Br)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735404 1370559461 /nfs/dbraw/zinc/55/94/61/1370559461.db2.gz SVVSZCATNAGJFH-UHFFFAOYSA-N 2 1 348.288 3.286 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591774 1370592264 /nfs/dbraw/zinc/59/22/64/1370592264.db2.gz DGLBSZZPVRAYNT-RTBURBONSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242805 1370692969 /nfs/dbraw/zinc/69/29/69/1370692969.db2.gz VQKCSKIXDJKTHK-IEBWSBKVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729793 1370711855 /nfs/dbraw/zinc/71/18/55/1370711855.db2.gz SQSABFKCGDTABP-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420427 1370749145 /nfs/dbraw/zinc/74/91/45/1370749145.db2.gz SXXONLAFANTUKJ-PKOBYXMFSA-N 2 1 335.536 3.044 20 30 EGEDMP C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)CC[C@H]1C[NH3+] ZINC001205627678 1370817506 /nfs/dbraw/zinc/81/75/06/1370817506.db2.gz RPYGFDCGERHOJV-OLZOCXBDSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)CC[C@H]1C[NH3+] ZINC001205627678 1370817508 /nfs/dbraw/zinc/81/75/08/1370817508.db2.gz RPYGFDCGERHOJV-OLZOCXBDSA-N 2 1 336.277 3.128 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc2)c1 ZINC001205768363 1370864886 /nfs/dbraw/zinc/86/48/86/1370864886.db2.gz FXXDCGAOCYEZKH-KRWDZBQOSA-N 2 1 342.393 3.036 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3CCC(F)(F)[C@@H](C[NH3+])C3)cc2)c1 ZINC001205768363 1370864888 /nfs/dbraw/zinc/86/48/88/1370864888.db2.gz FXXDCGAOCYEZKH-KRWDZBQOSA-N 2 1 342.393 3.036 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206487346 1371069925 /nfs/dbraw/zinc/06/99/25/1371069925.db2.gz CPYZYRQVVZLIRO-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001206871409 1371198270 /nfs/dbraw/zinc/19/82/70/1371198270.db2.gz KMQYDFWZHLEFSI-IBGZPJMESA-N 2 1 337.552 3.127 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001207335813 1371364573 /nfs/dbraw/zinc/36/45/73/1371364573.db2.gz ACUPERVLEGJGLF-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207335813 1371364581 /nfs/dbraw/zinc/36/45/81/1371364581.db2.gz ACUPERVLEGJGLF-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207335813 1371364583 /nfs/dbraw/zinc/36/45/83/1371364583.db2.gz ACUPERVLEGJGLF-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391357 1371557922 /nfs/dbraw/zinc/55/79/22/1371557922.db2.gz ASNQQSHSTLMBCP-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209233142 1372045138 /nfs/dbraw/zinc/04/51/38/1372045138.db2.gz OJNWMILQUXFGBR-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767543 1372074818 /nfs/dbraw/zinc/07/48/18/1372074818.db2.gz GQHCKEKPBGPLCQ-GGQJKKPXSA-N 2 1 349.563 3.458 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121860526 1372105561 /nfs/dbraw/zinc/10/55/61/1372105561.db2.gz MPGRQJHSLIGQLF-FCOWATRHSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCCCCC[N@H+]1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209437822 1372106188 /nfs/dbraw/zinc/10/61/88/1372106188.db2.gz VNAUMNOSRLVTDV-UXHICEINSA-N 2 1 330.520 3.310 20 30 EGEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209450974 1372109196 /nfs/dbraw/zinc/10/91/96/1372109196.db2.gz PNCMBIZKPACQTE-HXUWFJFHSA-N 2 1 327.472 3.277 20 30 EGEDMP N#Cc1cccc(O[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)c1 ZINC001209450974 1372109199 /nfs/dbraw/zinc/10/91/99/1372109199.db2.gz PNCMBIZKPACQTE-HXUWFJFHSA-N 2 1 327.472 3.277 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001215973031 1373252775 /nfs/dbraw/zinc/25/27/75/1373252775.db2.gz MGBSUUGMOHJIMX-CEXWTWQISA-N 2 1 337.552 3.290 20 30 EGEDMP O=C1C[NH2+]CC[C@@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001217828159 1373505200 /nfs/dbraw/zinc/50/52/00/1373505200.db2.gz NAAVTXIESFSBNY-GOSISDBHSA-N 2 1 342.484 3.061 20 30 EGEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225590577 1375128130 /nfs/dbraw/zinc/12/81/30/1375128130.db2.gz AFUVSKSINSQSNO-FQEVSTJZSA-N 2 1 343.515 3.084 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206234 1375209219 /nfs/dbraw/zinc/20/92/19/1375209219.db2.gz GSMKUDFYVKLQHV-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206234 1375209224 /nfs/dbraw/zinc/20/92/24/1375209224.db2.gz GSMKUDFYVKLQHV-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206234 1375209227 /nfs/dbraw/zinc/20/92/27/1375209227.db2.gz GSMKUDFYVKLQHV-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132212358 1375212280 /nfs/dbraw/zinc/21/22/80/1375212280.db2.gz XDPJDHDNVRNQAE-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248922 1375244755 /nfs/dbraw/zinc/24/47/55/1375244755.db2.gz KNRGCYUZQKEDGX-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265555 1375254049 /nfs/dbraw/zinc/25/40/49/1375254049.db2.gz OKGNJBTZKQUULX-PKOBYXMFSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377273 1375338916 /nfs/dbraw/zinc/33/89/16/1375338916.db2.gz VPCYZHMNOLHUFK-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132440729 1375385264 /nfs/dbraw/zinc/38/52/64/1375385264.db2.gz FDANSWUGJCDOOO-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132440729 1375385271 /nfs/dbraw/zinc/38/52/71/1375385271.db2.gz FDANSWUGJCDOOO-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132440729 1375385275 /nfs/dbraw/zinc/38/52/75/1375385275.db2.gz FDANSWUGJCDOOO-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494234 1375424612 /nfs/dbraw/zinc/42/46/12/1375424612.db2.gz PXSZXELRRRZZCH-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001227727689 1375466518 /nfs/dbraw/zinc/46/65/18/1375466518.db2.gz HDIRJTIPWSTCMG-RTBURBONSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227792776 1375475818 /nfs/dbraw/zinc/47/58/18/1375475818.db2.gz VLAUOVQCWLWHBM-GOSISDBHSA-N 2 1 344.503 3.088 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623961 1375620844 /nfs/dbraw/zinc/62/08/44/1375620844.db2.gz OTQPAQMUKQWFFA-KZNAEPCWSA-N 2 1 337.552 3.336 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001228834978 1375690283 /nfs/dbraw/zinc/69/02/83/1375690283.db2.gz WPZVBIUROFCCHR-ROUUACIJSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122636 1375787628 /nfs/dbraw/zinc/78/76/28/1375787628.db2.gz SJKBNQXWIDMIPR-MSOLQXFVSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622953 1376105431 /nfs/dbraw/zinc/10/54/31/1376105431.db2.gz TVECYBVKWSZGTE-HXUWFJFHSA-N 2 1 347.547 3.142 20 30 EGEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001235968568 1376924195 /nfs/dbraw/zinc/92/41/95/1376924195.db2.gz ISKWMSDSXAIRKG-HXUWFJFHSA-N 2 1 333.435 3.205 20 30 EGEDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404441 1377880218 /nfs/dbraw/zinc/88/02/18/1377880218.db2.gz HGUFQFUMPFIYCV-BGYRXZFFSA-N 2 1 332.451 3.004 20 30 EGEDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404441 1377880220 /nfs/dbraw/zinc/88/02/20/1377880220.db2.gz HGUFQFUMPFIYCV-BGYRXZFFSA-N 2 1 332.451 3.004 20 30 EGEDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404441 1377880222 /nfs/dbraw/zinc/88/02/22/1377880222.db2.gz HGUFQFUMPFIYCV-BGYRXZFFSA-N 2 1 332.451 3.004 20 30 EGEDMP Cc1cc(C#N)ccc1C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001279696747 1378318366 /nfs/dbraw/zinc/31/83/66/1378318366.db2.gz HFHYAKMXKMUKJV-UHFFFAOYSA-N 2 1 349.482 3.078 20 30 EGEDMP C[NH+]1CCC(C2CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)CC1 ZINC001143173319 1378553068 /nfs/dbraw/zinc/55/30/68/1378553068.db2.gz WVXQYWRHYONGIM-UHFFFAOYSA-N 2 1 333.426 3.390 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147552646 1379041531 /nfs/dbraw/zinc/04/15/31/1379041531.db2.gz NWALBWQFVMIRRG-SFHVURJKSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658315 1379056927 /nfs/dbraw/zinc/05/69/27/1379056927.db2.gz QMFPAGZSTXUVPH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658315 1379056932 /nfs/dbraw/zinc/05/69/32/1379056932.db2.gz QMFPAGZSTXUVPH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658315 1379056937 /nfs/dbraw/zinc/05/69/37/1379056937.db2.gz QMFPAGZSTXUVPH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390423 1379163213 /nfs/dbraw/zinc/16/32/13/1379163213.db2.gz GVYNPTAOBMLDND-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156318531 1380557649 /nfs/dbraw/zinc/55/76/49/1380557649.db2.gz DJGQHHGBEHLKQW-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318531 1380557651 /nfs/dbraw/zinc/55/76/51/1380557651.db2.gz DJGQHHGBEHLKQW-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318531 1380557653 /nfs/dbraw/zinc/55/76/53/1380557653.db2.gz DJGQHHGBEHLKQW-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158491122 1381265841 /nfs/dbraw/zinc/26/58/41/1381265841.db2.gz KGXOLFGJIOPERS-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914631 1381461527 /nfs/dbraw/zinc/46/15/27/1381461527.db2.gz PSCHZSNTFTWRJW-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158913995 1381461583 /nfs/dbraw/zinc/46/15/83/1381461583.db2.gz IXFZXVGQPGEYMZ-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169507 1382022976 /nfs/dbraw/zinc/02/29/76/1382022976.db2.gz TUUAGORTNRLBPD-KRWDZBQOSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169507 1382022980 /nfs/dbraw/zinc/02/29/80/1382022980.db2.gz TUUAGORTNRLBPD-KRWDZBQOSA-N 2 1 344.503 3.111 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160353046 1382081022 /nfs/dbraw/zinc/08/10/22/1382081022.db2.gz OHULWHJXKXODTI-HXUWFJFHSA-N 2 1 347.547 3.069 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353046 1382081027 /nfs/dbraw/zinc/08/10/27/1382081027.db2.gz OHULWHJXKXODTI-HXUWFJFHSA-N 2 1 347.547 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160353046 1382081031 /nfs/dbraw/zinc/08/10/31/1382081031.db2.gz OHULWHJXKXODTI-HXUWFJFHSA-N 2 1 347.547 3.069 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161214073 1382344480 /nfs/dbraw/zinc/34/44/80/1382344480.db2.gz SBPIQLRMZVTIOZ-IBGZPJMESA-N 2 1 349.563 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161214073 1382344488 /nfs/dbraw/zinc/34/44/88/1382344488.db2.gz SBPIQLRMZVTIOZ-IBGZPJMESA-N 2 1 349.563 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001161214073 1382344494 /nfs/dbraw/zinc/34/44/94/1382344494.db2.gz SBPIQLRMZVTIOZ-IBGZPJMESA-N 2 1 349.563 3.437 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704927 1382484912 /nfs/dbraw/zinc/48/49/12/1382484912.db2.gz KURPNOKDAARXQO-VQTJNVASSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001167470908 1383642520 /nfs/dbraw/zinc/64/25/20/1383642520.db2.gz IQEMIEGVAQXZQL-UHFFFAOYSA-N 2 1 337.552 3.341 20 30 EGEDMP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168105985 1383817805 /nfs/dbraw/zinc/81/78/05/1383817805.db2.gz XUOYZMUXOCDRGH-XLNTUCKNSA-N 2 1 327.472 3.198 20 30 EGEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785836 1384385557 /nfs/dbraw/zinc/38/55/57/1384385557.db2.gz PDOCYMNMQDUGCZ-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1(C)C ZINC001171638201 1384588210 /nfs/dbraw/zinc/58/82/10/1384588210.db2.gz WRHVBSSBKBAJES-UHFFFAOYSA-N 2 1 340.515 3.332 20 30 EGEDMP C=CCOC1CCC(N(c2cccc(C)[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173325841 1384959304 /nfs/dbraw/zinc/95/93/04/1384959304.db2.gz RFUVVZYZHZCVTC-UHFFFAOYSA-N 2 1 329.488 3.462 20 30 EGEDMP N#CCC1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001173325620 1384959624 /nfs/dbraw/zinc/95/96/24/1384959624.db2.gz LPROPWXHVFCPPZ-UHFFFAOYSA-N 2 1 327.472 3.081 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262175 1385232579 /nfs/dbraw/zinc/23/25/79/1385232579.db2.gz COZVZMLJNWFCLV-RBUKOAKNSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176268903 1385532536 /nfs/dbraw/zinc/53/25/36/1385532536.db2.gz OAJVGYRSFFZSCV-ZWKOTPCHSA-N 2 1 325.541 3.338 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177266444 1385889990 /nfs/dbraw/zinc/88/99/90/1385889990.db2.gz HNNNYQVKUJUBTA-UYAOXDASSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001177317202 1385911537 /nfs/dbraw/zinc/91/15/37/1385911537.db2.gz QKFAKDLSODDFNV-UXHICEINSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345294 1385922681 /nfs/dbraw/zinc/92/26/81/1385922681.db2.gz ZLKKAPNBHWLXMT-UHFFFAOYSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177415627 1385948962 /nfs/dbraw/zinc/94/89/62/1385948962.db2.gz GHNAVKGNNFGVAL-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001179585445 1386523336 /nfs/dbraw/zinc/52/33/36/1386523336.db2.gz HYKGKVUEBJXGEY-LJQANCHMSA-N 2 1 337.552 3.341 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)CC[N@H+](C)CCC ZINC001180117962 1386702644 /nfs/dbraw/zinc/70/26/44/1386702644.db2.gz PAVIRKXBGSSFAS-SFHVURJKSA-N 2 1 325.541 3.339 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182814295 1387229253 /nfs/dbraw/zinc/22/92/53/1387229253.db2.gz UHBCOKLPUYTHGS-SVFBPWRDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001752302111 1440167941 /nfs/dbraw/zinc/16/79/41/1440167941.db2.gz YIALUKGNZAOWTO-KRWDZBQOSA-N 2 1 346.519 3.286 20 30 EGEDMP CCCCCCC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001752303601 1440168434 /nfs/dbraw/zinc/16/84/34/1440168434.db2.gz WKXQPPUNZWNEFX-UHFFFAOYSA-N 2 1 334.508 3.085 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001752508262 1440189646 /nfs/dbraw/zinc/18/96/46/1440189646.db2.gz PMRSSAGSZTYGNH-QZTJIDSGSA-N 2 1 346.519 3.143 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001752508262 1440189647 /nfs/dbraw/zinc/18/96/47/1440189647.db2.gz PMRSSAGSZTYGNH-QZTJIDSGSA-N 2 1 346.519 3.143 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001752833708 1440226532 /nfs/dbraw/zinc/22/65/32/1440226532.db2.gz IZABOAPKLSPNGR-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001752833708 1440226533 /nfs/dbraw/zinc/22/65/33/1440226533.db2.gz IZABOAPKLSPNGR-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001752833708 1440226534 /nfs/dbraw/zinc/22/65/34/1440226534.db2.gz IZABOAPKLSPNGR-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753820080 1440495387 /nfs/dbraw/zinc/49/53/87/1440495387.db2.gz OGXFJJVQKSBWFW-FQEVSTJZSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001753820080 1440495388 /nfs/dbraw/zinc/49/53/88/1440495388.db2.gz OGXFJJVQKSBWFW-FQEVSTJZSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001753820080 1440495389 /nfs/dbraw/zinc/49/53/89/1440495389.db2.gz OGXFJJVQKSBWFW-FQEVSTJZSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001754548551 1440628953 /nfs/dbraw/zinc/62/89/53/1440628953.db2.gz VTTFKDGXQKWWCG-FQEVSTJZSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001754548551 1440628954 /nfs/dbraw/zinc/62/89/54/1440628954.db2.gz VTTFKDGXQKWWCG-FQEVSTJZSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001754548551 1440628955 /nfs/dbraw/zinc/62/89/55/1440628955.db2.gz VTTFKDGXQKWWCG-FQEVSTJZSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001754651550 1440652019 /nfs/dbraw/zinc/65/20/19/1440652019.db2.gz VAYXSDUGCRJORO-UXHICEINSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001754946725 1440713526 /nfs/dbraw/zinc/71/35/26/1440713526.db2.gz URUQBQXECANRHC-FQEVSTJZSA-N 2 1 343.515 3.043 20 30 EGEDMP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001754946725 1440713527 /nfs/dbraw/zinc/71/35/27/1440713527.db2.gz URUQBQXECANRHC-FQEVSTJZSA-N 2 1 343.515 3.043 20 30 EGEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001754946725 1440713528 /nfs/dbraw/zinc/71/35/28/1440713528.db2.gz URUQBQXECANRHC-FQEVSTJZSA-N 2 1 343.515 3.043 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034307 1440733432 /nfs/dbraw/zinc/73/34/32/1440733432.db2.gz OYQMHBAJDGZIBE-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001755460985 1440857361 /nfs/dbraw/zinc/85/73/61/1440857361.db2.gz SHWVNHGWXNJYRW-OYRHEFFESA-N 2 1 349.563 3.223 20 30 EGEDMP COCC[N@@H+](C)CCCC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000122098691 152390770 /nfs/dbraw/zinc/39/07/70/152390770.db2.gz CBNBWSHZHNAREL-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000122098691 152390772 /nfs/dbraw/zinc/39/07/72/152390772.db2.gz CBNBWSHZHNAREL-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000122098691 152390774 /nfs/dbraw/zinc/39/07/74/152390774.db2.gz CBNBWSHZHNAREL-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000344102871 164103570 /nfs/dbraw/zinc/10/35/70/164103570.db2.gz UPLQIMJDABZABU-KRWDZBQOSA-N 2 1 335.451 3.241 20 30 EGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000249092025 308018805 /nfs/dbraw/zinc/01/88/05/308018805.db2.gz DNVAGEARSJKLMP-GBESFXJTSA-N 2 1 340.515 3.110 20 30 EGEDMP C[N@@H+](CCN1CC[NH+](CC(C)(C)CCC#N)CC1)Cc1ccccc1 ZINC000093105043 454683159 /nfs/dbraw/zinc/68/31/59/454683159.db2.gz TTYYYUZQYAZDBM-UHFFFAOYSA-N 2 1 342.531 3.066 20 30 EGEDMP CN(C)c1cc[nH+]cc1C[NH2+]CCSCc1ccccc1C#N ZINC000185128577 455507061 /nfs/dbraw/zinc/50/70/61/455507061.db2.gz FRVPEVGIMBGFKK-UHFFFAOYSA-N 2 1 326.469 3.042 20 30 EGEDMP COc1ccc(C#N)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743582 455612636 /nfs/dbraw/zinc/61/26/36/455612636.db2.gz QBVXVRJIYUWIIU-NVXWUHKLSA-N 2 1 327.472 3.309 20 30 EGEDMP COc1ccc(C#N)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743582 455612637 /nfs/dbraw/zinc/61/26/37/455612637.db2.gz QBVXVRJIYUWIIU-NVXWUHKLSA-N 2 1 327.472 3.309 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)oc1C ZINC000192856481 455707199 /nfs/dbraw/zinc/70/71/99/455707199.db2.gz ACRSTVZSEUCYTC-MSOLQXFVSA-N 2 1 330.476 3.175 20 30 EGEDMP C[N@H+]1CCC[C@@H]1CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285532629 455864967 /nfs/dbraw/zinc/86/49/67/455864967.db2.gz PWCFMVOIRYPAST-MRXNPFEDSA-N 2 1 331.435 3.025 20 30 EGEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285532629 455864969 /nfs/dbraw/zinc/86/49/69/455864969.db2.gz PWCFMVOIRYPAST-MRXNPFEDSA-N 2 1 331.435 3.025 20 30 EGEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285532629 455864970 /nfs/dbraw/zinc/86/49/70/455864970.db2.gz PWCFMVOIRYPAST-MRXNPFEDSA-N 2 1 331.435 3.025 20 30 EGEDMP C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337201070 456337966 /nfs/dbraw/zinc/33/79/66/456337966.db2.gz FPMWJMTUXDCFDF-MSOLQXFVSA-N 2 1 333.520 3.330 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290637556 456392743 /nfs/dbraw/zinc/39/27/43/456392743.db2.gz YIYAWMJQAYVRRX-LJQANCHMSA-N 2 1 344.499 3.424 20 30 EGEDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000282518485 456539230 /nfs/dbraw/zinc/53/92/30/456539230.db2.gz ZLITXYRXSZLPOF-PKOBYXMFSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000282518485 456539238 /nfs/dbraw/zinc/53/92/38/456539238.db2.gz ZLITXYRXSZLPOF-PKOBYXMFSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1C#N ZINC000282518485 456539242 /nfs/dbraw/zinc/53/92/42/456539242.db2.gz ZLITXYRXSZLPOF-PKOBYXMFSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C#N ZINC000282518485 456539247 /nfs/dbraw/zinc/53/92/47/456539247.db2.gz ZLITXYRXSZLPOF-PKOBYXMFSA-N 2 1 325.456 3.016 20 30 EGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000348817053 456869407 /nfs/dbraw/zinc/86/94/07/456869407.db2.gz KBDMMGURWVKBKH-GOSISDBHSA-N 2 1 349.906 3.099 20 30 EGEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000420978181 458406031 /nfs/dbraw/zinc/40/60/31/458406031.db2.gz JCJSTUOPFQYWJP-GOSISDBHSA-N 2 1 340.515 3.111 20 30 EGEDMP C=CCCCC[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000449081028 458419311 /nfs/dbraw/zinc/41/93/11/458419311.db2.gz BBRJNOMKZNPLME-SFHVURJKSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449122383 458420341 /nfs/dbraw/zinc/42/03/41/458420341.db2.gz LFEYWCYKPXLUTG-UHFFFAOYSA-N 2 1 330.472 3.368 20 30 EGEDMP C=CCCOCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512668211 458787229 /nfs/dbraw/zinc/78/72/29/458787229.db2.gz TYYWOWVHPQBBTL-PWRODBHTSA-N 2 1 328.500 3.469 20 30 EGEDMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000559786945 459278158 /nfs/dbraw/zinc/27/81/58/459278158.db2.gz LFGVREKGCVLVTG-FPOVZHCZSA-N 2 1 335.451 3.362 20 30 EGEDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000559786945 459278161 /nfs/dbraw/zinc/27/81/61/459278161.db2.gz LFGVREKGCVLVTG-FPOVZHCZSA-N 2 1 335.451 3.362 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595405347 459291989 /nfs/dbraw/zinc/29/19/89/459291989.db2.gz WFYCBGDWCSQWPG-UHFFFAOYSA-N 2 1 343.515 3.171 20 30 EGEDMP Cc1cc(NC2CCN(Cc3cccc(C#N)c3)CC2)nc(C2CC2)n1 ZINC000593515682 459913272 /nfs/dbraw/zinc/91/32/72/459913272.db2.gz QKTSBLJOVPFEMC-UHFFFAOYSA-N 2 1 347.466 3.033 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000623383786 460519682 /nfs/dbraw/zinc/51/96/82/460519682.db2.gz BDNGFSOXCJGLID-ZDUSSCGKSA-N 2 1 326.868 3.343 20 30 EGEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655777107 461440653 /nfs/dbraw/zinc/44/06/53/461440653.db2.gz RLOXUCCFUXONHI-LEWJYISDSA-N 2 1 328.500 3.407 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000657352230 462065212 /nfs/dbraw/zinc/06/52/12/462065212.db2.gz GCPQHZYCDSTPEP-QGZVFWFLSA-N 2 1 332.488 3.230 20 30 EGEDMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191459413 528452584 /nfs/dbraw/zinc/45/25/84/528452584.db2.gz DJRKONMBCDSNLR-IBGZPJMESA-N 2 1 342.531 3.357 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000129293160 1293620532 /nfs/dbraw/zinc/62/05/32/1293620532.db2.gz LJUPDALMYXSJFA-PXNSSMCTSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000129293160 1293620541 /nfs/dbraw/zinc/62/05/41/1293620541.db2.gz LJUPDALMYXSJFA-PXNSSMCTSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000129293160 1293620547 /nfs/dbraw/zinc/62/05/47/1293620547.db2.gz LJUPDALMYXSJFA-PXNSSMCTSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000164518686 1294349365 /nfs/dbraw/zinc/34/93/65/1294349365.db2.gz ZNZDOTUXJQRLCD-APWZRJJASA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000164518686 1294349373 /nfs/dbraw/zinc/34/93/73/1294349373.db2.gz ZNZDOTUXJQRLCD-APWZRJJASA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000164518686 1294349378 /nfs/dbraw/zinc/34/93/78/1294349378.db2.gz ZNZDOTUXJQRLCD-APWZRJJASA-N 2 1 330.472 3.045 20 30 EGEDMP C=C(Cl)CNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)=[NH+]C ZINC000262378808 1296628879 /nfs/dbraw/zinc/62/88/79/1296628879.db2.gz JZSGZHHTVOYDJE-DZGCQCFKSA-N 2 1 340.924 3.049 20 30 EGEDMP CC[NH+](CC)[C@@H](CNC(NCc1ccco1)=[NH+]C)c1ccccc1 ZINC000303397312 1296832554 /nfs/dbraw/zinc/83/25/54/1296832554.db2.gz INYXMBBZFBQGFG-SFHVURJKSA-N 2 1 328.460 3.028 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N1CCCCC1 ZINC000303771544 1296851071 /nfs/dbraw/zinc/85/10/71/1296851071.db2.gz CRGOHOIMLFYFGQ-QGZVFWFLSA-N 2 1 328.504 3.362 20 30 EGEDMP CC[C@@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000305034502 1296954509 /nfs/dbraw/zinc/95/45/09/1296954509.db2.gz SBJVFCXUMIXQHV-AEFFLSMTSA-N 2 1 346.519 3.061 20 30 EGEDMP CC[C@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000775408233 1303959764 /nfs/dbraw/zinc/95/97/64/1303959764.db2.gz IRCIGBHCPLFQHF-LJQANCHMSA-N 2 1 327.472 3.332 20 30 EGEDMP CC(=[NH+]n1cc(Br)cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000779784927 1304605588 /nfs/dbraw/zinc/60/55/88/1304605588.db2.gz SYHMKAISDLAXEN-OAHLLOKOSA-N 2 1 347.260 3.392 20 30 EGEDMP CC(=[NH+]n1cc(Br)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779784927 1304605591 /nfs/dbraw/zinc/60/55/91/1304605591.db2.gz SYHMKAISDLAXEN-OAHLLOKOSA-N 2 1 347.260 3.392 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647532 1317519430 /nfs/dbraw/zinc/51/94/30/1317519430.db2.gz LSMWWNSAYATMEY-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000902948365 1317633149 /nfs/dbraw/zinc/63/31/49/1317633149.db2.gz RFCQSFHJBBJKSZ-FCHUYYIVSA-N 2 1 349.478 3.366 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000815652324 1319036672 /nfs/dbraw/zinc/03/66/72/1319036672.db2.gz XZMKNKFRIQYFDG-MRXNPFEDSA-N 2 1 326.362 3.117 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000815652324 1319036680 /nfs/dbraw/zinc/03/66/80/1319036680.db2.gz XZMKNKFRIQYFDG-MRXNPFEDSA-N 2 1 326.362 3.117 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000815652693 1319037837 /nfs/dbraw/zinc/03/78/37/1319037837.db2.gz NGOZMZFEELNQQX-MJGOQNOKSA-N 2 1 332.463 3.405 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000815652693 1319037848 /nfs/dbraw/zinc/03/78/48/1319037848.db2.gz NGOZMZFEELNQQX-MJGOQNOKSA-N 2 1 332.463 3.405 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369582 1319481496 /nfs/dbraw/zinc/48/14/96/1319481496.db2.gz FKCXHPYYQKUHRU-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369582 1319481505 /nfs/dbraw/zinc/48/15/05/1319481505.db2.gz FKCXHPYYQKUHRU-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369582 1319481516 /nfs/dbraw/zinc/48/15/16/1319481516.db2.gz FKCXHPYYQKUHRU-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369527 1319482155 /nfs/dbraw/zinc/48/21/55/1319482155.db2.gz FFBOIVFUTCCLLE-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369527 1319482162 /nfs/dbraw/zinc/48/21/62/1319482162.db2.gz FFBOIVFUTCCLLE-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369527 1319482169 /nfs/dbraw/zinc/48/21/69/1319482169.db2.gz FFBOIVFUTCCLLE-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414276 1319518865 /nfs/dbraw/zinc/51/88/65/1319518865.db2.gz POCQWKHRLSZXNH-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414276 1319518871 /nfs/dbraw/zinc/51/88/71/1319518871.db2.gz POCQWKHRLSZXNH-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414276 1319518879 /nfs/dbraw/zinc/51/88/79/1319518879.db2.gz POCQWKHRLSZXNH-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025274989 1324093901 /nfs/dbraw/zinc/09/39/01/1324093901.db2.gz QOOIIPXYYUEZND-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025302731 1324136301 /nfs/dbraw/zinc/13/63/01/1324136301.db2.gz WZOGIJVATWTEHC-UXHICEINSA-N 2 1 347.547 3.284 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628649 1324478936 /nfs/dbraw/zinc/47/89/36/1324478936.db2.gz SLKPBGTZMLPBEW-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000925812128 1325313062 /nfs/dbraw/zinc/31/30/62/1325313062.db2.gz HJVGKCOIAXDUPA-QUCCMNQESA-N 2 1 337.398 3.043 20 30 EGEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926590375 1327628565 /nfs/dbraw/zinc/62/85/65/1327628565.db2.gz BNQBTWHZKCPWHO-WVVQBRDUSA-N 2 1 328.500 3.405 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945088469 1332496236 /nfs/dbraw/zinc/49/62/36/1332496236.db2.gz BSLMMEKSWKMQML-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947471747 1333141849 /nfs/dbraw/zinc/14/18/49/1333141849.db2.gz FBFXLHLZHDYKED-DOTOQJQBSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948440030 1333526321 /nfs/dbraw/zinc/52/63/21/1333526321.db2.gz ZUTSZBXHDXBKNT-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440030 1333526324 /nfs/dbraw/zinc/52/63/24/1333526324.db2.gz ZUTSZBXHDXBKNT-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440030 1333526325 /nfs/dbraw/zinc/52/63/25/1333526325.db2.gz ZUTSZBXHDXBKNT-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570657 1333581174 /nfs/dbraw/zinc/58/11/74/1333581174.db2.gz NYWBVCRSWJWLHF-KRWDZBQOSA-N 2 1 340.471 3.145 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156488 1336165797 /nfs/dbraw/zinc/16/57/97/1336165797.db2.gz UFOHBJRMDLWVGM-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156488 1336165799 /nfs/dbraw/zinc/16/57/99/1336165799.db2.gz UFOHBJRMDLWVGM-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156488 1336165801 /nfs/dbraw/zinc/16/58/01/1336165801.db2.gz UFOHBJRMDLWVGM-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702938 1338696031 /nfs/dbraw/zinc/69/60/31/1338696031.db2.gz SXKSBERLFRUJMQ-MOPGFXCFSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924750 1338771766 /nfs/dbraw/zinc/77/17/66/1338771766.db2.gz YEUHODHEQSXKRD-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028251790 1340512804 /nfs/dbraw/zinc/51/28/04/1340512804.db2.gz LUEREJIVGXAYEB-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028251790 1340512807 /nfs/dbraw/zinc/51/28/07/1340512807.db2.gz LUEREJIVGXAYEB-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028251790 1340512816 /nfs/dbraw/zinc/51/28/16/1340512816.db2.gz LUEREJIVGXAYEB-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835604 1342035286 /nfs/dbraw/zinc/03/52/86/1342035286.db2.gz KCRFXQMMZPMIOZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835604 1342035290 /nfs/dbraw/zinc/03/52/90/1342035290.db2.gz KCRFXQMMZPMIOZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835604 1342035294 /nfs/dbraw/zinc/03/52/94/1342035294.db2.gz KCRFXQMMZPMIOZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033988776 1342133067 /nfs/dbraw/zinc/13/30/67/1342133067.db2.gz ITWFUMIWYZGMMP-FQEVSTJZSA-N 2 1 343.515 3.251 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034471280 1342525736 /nfs/dbraw/zinc/52/57/36/1342525736.db2.gz BRHOVJDVNZEWDZ-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479154 1342536034 /nfs/dbraw/zinc/53/60/34/1342536034.db2.gz SUHCMGBSTCQTQW-FQEVSTJZSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837107 1343220549 /nfs/dbraw/zinc/22/05/49/1343220549.db2.gz HAUVUBFAJPQKKS-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001039422725 1345060734 /nfs/dbraw/zinc/06/07/34/1345060734.db2.gz MPLBGXSSKJAPRU-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001039422725 1345060737 /nfs/dbraw/zinc/06/07/37/1345060737.db2.gz MPLBGXSSKJAPRU-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001039422725 1345060741 /nfs/dbraw/zinc/06/07/41/1345060741.db2.gz MPLBGXSSKJAPRU-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199642 1345372614 /nfs/dbraw/zinc/37/26/14/1345372614.db2.gz AUCSMGRUWKWBMW-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199642 1345372617 /nfs/dbraw/zinc/37/26/17/1345372617.db2.gz AUCSMGRUWKWBMW-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199642 1345372621 /nfs/dbraw/zinc/37/26/21/1345372621.db2.gz AUCSMGRUWKWBMW-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241303 1345391652 /nfs/dbraw/zinc/39/16/52/1345391652.db2.gz NCDPAQYPIHRZTG-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241303 1345391653 /nfs/dbraw/zinc/39/16/53/1345391653.db2.gz NCDPAQYPIHRZTG-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241303 1345391656 /nfs/dbraw/zinc/39/16/56/1345391656.db2.gz NCDPAQYPIHRZTG-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001045974119 1346809950 /nfs/dbraw/zinc/80/99/50/1346809950.db2.gz YOYQCBCXQMLHMP-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001048557030 1347591495 /nfs/dbraw/zinc/59/14/95/1347591495.db2.gz CECDXZFQKGTYFZ-YSTOQKLRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048557030 1347591497 /nfs/dbraw/zinc/59/14/97/1347591497.db2.gz CECDXZFQKGTYFZ-YSTOQKLRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048557030 1347591500 /nfs/dbraw/zinc/59/15/00/1347591500.db2.gz CECDXZFQKGTYFZ-YSTOQKLRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486604 1347872615 /nfs/dbraw/zinc/87/26/15/1347872615.db2.gz SEADCOQEAIIRHR-RCCFBDPRSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486604 1347872619 /nfs/dbraw/zinc/87/26/19/1347872619.db2.gz SEADCOQEAIIRHR-RCCFBDPRSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049514212 1347886191 /nfs/dbraw/zinc/88/61/91/1347886191.db2.gz YZPUEJQUBKXQSR-IAGOWNOFSA-N 2 1 347.528 3.065 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049514212 1347886195 /nfs/dbraw/zinc/88/61/95/1347886195.db2.gz YZPUEJQUBKXQSR-IAGOWNOFSA-N 2 1 347.528 3.065 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052858666 1348705412 /nfs/dbraw/zinc/70/54/12/1348705412.db2.gz FKLIUIQBFOZNSG-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858666 1348705414 /nfs/dbraw/zinc/70/54/14/1348705414.db2.gz FKLIUIQBFOZNSG-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858666 1348705415 /nfs/dbraw/zinc/70/54/15/1348705415.db2.gz FKLIUIQBFOZNSG-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095507 1355126616 /nfs/dbraw/zinc/12/66/16/1355126616.db2.gz JNFUCSJJNPNTMB-FXAWDEMLSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072626 1358383860 /nfs/dbraw/zinc/38/38/60/1358383860.db2.gz LNHLEGSJIUIAJM-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072626 1358383861 /nfs/dbraw/zinc/38/38/61/1358383861.db2.gz LNHLEGSJIUIAJM-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072626 1358383863 /nfs/dbraw/zinc/38/38/63/1358383863.db2.gz LNHLEGSJIUIAJM-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327241 1359831361 /nfs/dbraw/zinc/83/13/61/1359831361.db2.gz IOICIZBTUPORDI-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382566 1360384059 /nfs/dbraw/zinc/38/40/59/1360384059.db2.gz UDKIDRLUDYYDGA-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382566 1360384064 /nfs/dbraw/zinc/38/40/64/1360384064.db2.gz UDKIDRLUDYYDGA-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382566 1360384065 /nfs/dbraw/zinc/38/40/65/1360384065.db2.gz UDKIDRLUDYYDGA-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407310 1360405970 /nfs/dbraw/zinc/40/59/70/1360405970.db2.gz YIVYDORTEJBUBE-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407310 1360405971 /nfs/dbraw/zinc/40/59/71/1360405971.db2.gz YIVYDORTEJBUBE-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407310 1360405972 /nfs/dbraw/zinc/40/59/72/1360405972.db2.gz YIVYDORTEJBUBE-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445404 1360434349 /nfs/dbraw/zinc/43/43/49/1360434349.db2.gz HWMCYZPUJAPLJX-RBUKOAKNSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510608 1360482026 /nfs/dbraw/zinc/48/20/26/1360482026.db2.gz YVCWDRSGSWESRY-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565442 1360512144 /nfs/dbraw/zinc/51/21/44/1360512144.db2.gz SDXONRSMJDLABR-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565442 1360512146 /nfs/dbraw/zinc/51/21/46/1360512146.db2.gz SDXONRSMJDLABR-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565442 1360512149 /nfs/dbraw/zinc/51/21/49/1360512149.db2.gz SDXONRSMJDLABR-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089638903 1360552828 /nfs/dbraw/zinc/55/28/28/1360552828.db2.gz IYURUBUGJOBEDE-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638903 1360552830 /nfs/dbraw/zinc/55/28/30/1360552830.db2.gz IYURUBUGJOBEDE-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638903 1360552831 /nfs/dbraw/zinc/55/28/31/1360552831.db2.gz IYURUBUGJOBEDE-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CCC[C@@H]12 ZINC001094457096 1361809106 /nfs/dbraw/zinc/80/91/06/1361809106.db2.gz RBFXNEZASMQFOX-QKNQBKEWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094457096 1361809108 /nfs/dbraw/zinc/80/91/08/1361809108.db2.gz RBFXNEZASMQFOX-QKNQBKEWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)CCC[C@@H]12 ZINC001094457096 1361809110 /nfs/dbraw/zinc/80/91/10/1361809110.db2.gz RBFXNEZASMQFOX-QKNQBKEWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001099103000 1363622919 /nfs/dbraw/zinc/62/29/19/1363622919.db2.gz SZUYLOHZDPFRQC-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001099103000 1363622922 /nfs/dbraw/zinc/62/29/22/1363622922.db2.gz SZUYLOHZDPFRQC-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001099103000 1363622924 /nfs/dbraw/zinc/62/29/24/1363622924.db2.gz SZUYLOHZDPFRQC-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100320737 1364079718 /nfs/dbraw/zinc/07/97/18/1364079718.db2.gz QCGMXMBLXWPSOX-CTWPCTMYSA-N 2 1 337.552 3.314 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101547907 1364611998 /nfs/dbraw/zinc/61/19/98/1364611998.db2.gz VFJHDEFUUWECBM-IBGZPJMESA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001101596368 1364647179 /nfs/dbraw/zinc/64/71/79/1364647179.db2.gz VQRKTVCSLLISQO-HDICACEKSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC001102533163 1365103360 /nfs/dbraw/zinc/10/33/60/1365103360.db2.gz ZNNAESZVCKCAHS-SBHAEUEKSA-N 2 1 349.563 3.127 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](C)C1 ZINC001102533163 1365103366 /nfs/dbraw/zinc/10/33/66/1365103366.db2.gz ZNNAESZVCKCAHS-SBHAEUEKSA-N 2 1 349.563 3.127 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H](C)C1 ZINC001102533163 1365103382 /nfs/dbraw/zinc/10/33/82/1365103382.db2.gz ZNNAESZVCKCAHS-SBHAEUEKSA-N 2 1 349.563 3.127 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438677 1365561050 /nfs/dbraw/zinc/56/10/50/1365561050.db2.gz WGRGLZDBZRCYIQ-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103438677 1365561054 /nfs/dbraw/zinc/56/10/54/1365561054.db2.gz WGRGLZDBZRCYIQ-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103438677 1365561057 /nfs/dbraw/zinc/56/10/57/1365561057.db2.gz WGRGLZDBZRCYIQ-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105575229 1366540615 /nfs/dbraw/zinc/54/06/15/1366540615.db2.gz VVPSTHINBPKPBN-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189453664 1367025806 /nfs/dbraw/zinc/02/58/06/1367025806.db2.gz MKDYKCMBVNDARC-SLFFLAALSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453664 1367025811 /nfs/dbraw/zinc/02/58/11/1367025811.db2.gz MKDYKCMBVNDARC-SLFFLAALSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453664 1367025815 /nfs/dbraw/zinc/02/58/15/1367025815.db2.gz MKDYKCMBVNDARC-SLFFLAALSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632049 1367084938 /nfs/dbraw/zinc/08/49/38/1367084938.db2.gz NSFSDYYHSFFAOA-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632049 1367084940 /nfs/dbraw/zinc/08/49/40/1367084940.db2.gz NSFSDYYHSFFAOA-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632049 1367084945 /nfs/dbraw/zinc/08/49/45/1367084945.db2.gz NSFSDYYHSFFAOA-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109473167 1367144601 /nfs/dbraw/zinc/14/46/01/1367144601.db2.gz YMRGSYFHJJCXHD-QYZOEREBSA-N 2 1 347.547 3.327 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109473167 1367144605 /nfs/dbraw/zinc/14/46/05/1367144605.db2.gz YMRGSYFHJJCXHD-QYZOEREBSA-N 2 1 347.547 3.327 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109473167 1367144608 /nfs/dbraw/zinc/14/46/08/1367144608.db2.gz YMRGSYFHJJCXHD-QYZOEREBSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190177692 1367192219 /nfs/dbraw/zinc/19/22/19/1367192219.db2.gz RSFYBKONTGTSOH-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190177692 1367192225 /nfs/dbraw/zinc/19/22/25/1367192225.db2.gz RSFYBKONTGTSOH-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190177692 1367192227 /nfs/dbraw/zinc/19/22/27/1367192227.db2.gz RSFYBKONTGTSOH-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560723 1367198384 /nfs/dbraw/zinc/19/83/84/1367198384.db2.gz OEYHOPGIFVYHMG-QYZOEREBSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844974 1367353891 /nfs/dbraw/zinc/35/38/91/1367353891.db2.gz OPTALVHGOCPLMA-NQYYFHDYSA-N 2 1 344.503 3.048 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844974 1367353894 /nfs/dbraw/zinc/35/38/94/1367353894.db2.gz OPTALVHGOCPLMA-NQYYFHDYSA-N 2 1 344.503 3.048 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507823 1367517442 /nfs/dbraw/zinc/51/74/42/1367517442.db2.gz ONFZJWNJGZERLT-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193374905 1368015036 /nfs/dbraw/zinc/01/50/36/1368015036.db2.gz ZRTQUEMTULGYNK-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193374905 1368015041 /nfs/dbraw/zinc/01/50/41/1368015041.db2.gz ZRTQUEMTULGYNK-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001193374905 1368015047 /nfs/dbraw/zinc/01/50/47/1368015047.db2.gz ZRTQUEMTULGYNK-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449668 1368264335 /nfs/dbraw/zinc/26/43/35/1368264335.db2.gz WSPBUFOTPDOMCH-AZUAARDMSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449668 1368264337 /nfs/dbraw/zinc/26/43/37/1368264337.db2.gz WSPBUFOTPDOMCH-AZUAARDMSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449668 1368264339 /nfs/dbraw/zinc/26/43/39/1368264339.db2.gz WSPBUFOTPDOMCH-AZUAARDMSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449668 1368264343 /nfs/dbraw/zinc/26/43/43/1368264343.db2.gz WSPBUFOTPDOMCH-AZUAARDMSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001195900301 1368512741 /nfs/dbraw/zinc/51/27/41/1368512741.db2.gz KMNWPHBYFRWRIV-ROUUACIJSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900301 1368512749 /nfs/dbraw/zinc/51/27/49/1368512749.db2.gz KMNWPHBYFRWRIV-ROUUACIJSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900301 1368512757 /nfs/dbraw/zinc/51/27/57/1368512757.db2.gz KMNWPHBYFRWRIV-ROUUACIJSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111938087 1368567937 /nfs/dbraw/zinc/56/79/37/1368567937.db2.gz KPTYCSPVMLJPLG-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111938087 1368567944 /nfs/dbraw/zinc/56/79/44/1368567944.db2.gz KPTYCSPVMLJPLG-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111938087 1368567949 /nfs/dbraw/zinc/56/79/49/1368567949.db2.gz KPTYCSPVMLJPLG-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619427 1368650928 /nfs/dbraw/zinc/65/09/28/1368650928.db2.gz AWSZBTCQCMCLRH-HXUWFJFHSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001197125853 1368749552 /nfs/dbraw/zinc/74/95/52/1368749552.db2.gz NAHJQLIAGWYDPJ-QGZVFWFLSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567363 1368931011 /nfs/dbraw/zinc/93/10/11/1368931011.db2.gz KUHSLQQEAXTAJZ-ZJOUEHCJSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364061 1369016175 /nfs/dbraw/zinc/01/61/75/1369016175.db2.gz MGBSRKQFKPFOMN-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP CCCCCCC[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001201777436 1369623121 /nfs/dbraw/zinc/62/31/21/1369623121.db2.gz WVJDVCNVVUAZBS-UHFFFAOYSA-N 2 1 336.524 3.137 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872649 1369914136 /nfs/dbraw/zinc/91/41/36/1369914136.db2.gz KPIFPSQMWUQJOJ-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001114402816 1369933811 /nfs/dbraw/zinc/93/38/11/1369933811.db2.gz IQFZHZPVQHVTSG-CTAFRAEOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001114402816 1369933813 /nfs/dbraw/zinc/93/38/13/1369933813.db2.gz IQFZHZPVQHVTSG-CTAFRAEOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001114402816 1369933819 /nfs/dbraw/zinc/93/38/19/1369933819.db2.gz IQFZHZPVQHVTSG-CTAFRAEOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230659 1370033129 /nfs/dbraw/zinc/03/31/29/1370033129.db2.gz PGVDSLZTCKTKHC-MOPGFXCFSA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001114920994 1370150053 /nfs/dbraw/zinc/15/00/53/1370150053.db2.gz FAYUVIZZGBWFIX-ZGXWSNOMSA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001114920994 1370150054 /nfs/dbraw/zinc/15/00/54/1370150054.db2.gz FAYUVIZZGBWFIX-ZGXWSNOMSA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001114920994 1370150055 /nfs/dbraw/zinc/15/00/55/1370150055.db2.gz FAYUVIZZGBWFIX-ZGXWSNOMSA-N 2 1 349.563 3.266 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115547122 1370544254 /nfs/dbraw/zinc/54/42/54/1370544254.db2.gz MFYXJLDFZQMIEC-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573110 1370575996 /nfs/dbraw/zinc/57/59/96/1370575996.db2.gz IJERTNJPXVCWHM-QGZVFWFLSA-N 2 1 344.503 3.135 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591772 1370592606 /nfs/dbraw/zinc/59/26/06/1370592606.db2.gz DGLBSZZPVRAYNT-OALUTQOASA-N 2 1 347.547 3.378 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611400 1370610453 /nfs/dbraw/zinc/61/04/53/1370610453.db2.gz GPHYUEYPLPNFEG-LJQANCHMSA-N 2 1 349.563 3.482 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768943 1370753219 /nfs/dbraw/zinc/75/32/19/1370753219.db2.gz OGTUEGMNWIXUBI-MOPGFXCFSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115773078 1370756640 /nfs/dbraw/zinc/75/66/40/1370756640.db2.gz KKMZHPOHWXLASW-UHFFFAOYSA-N 2 1 346.519 3.347 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCC[C@@H]1C[NH3+] ZINC001205995466 1370932877 /nfs/dbraw/zinc/93/28/77/1370932877.db2.gz OILSHKWXQQYXHI-GXTWGEPZSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955524 1371244273 /nfs/dbraw/zinc/24/42/73/1371244273.db2.gz XEXNFMXXCHUKDC-GUDVDZBRSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955524 1371244279 /nfs/dbraw/zinc/24/42/79/1371244279.db2.gz XEXNFMXXCHUKDC-GUDVDZBRSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955524 1371244286 /nfs/dbraw/zinc/24/42/86/1371244286.db2.gz XEXNFMXXCHUKDC-GUDVDZBRSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001120393931 1371561407 /nfs/dbraw/zinc/56/14/07/1371561407.db2.gz YYBXRUBWNAKUPZ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120393931 1371561409 /nfs/dbraw/zinc/56/14/09/1371561409.db2.gz YYBXRUBWNAKUPZ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120393931 1371561414 /nfs/dbraw/zinc/56/14/14/1371561414.db2.gz YYBXRUBWNAKUPZ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001208601668 1371835813 /nfs/dbraw/zinc/83/58/13/1371835813.db2.gz QFEUIMSDKLLDGG-IBGZPJMESA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001209689034 1372170639 /nfs/dbraw/zinc/17/06/39/1372170639.db2.gz IRDKQIFXMUFTHT-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001215225945 1373189088 /nfs/dbraw/zinc/18/90/88/1373189088.db2.gz AAUDMFNVRJKIKD-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP FC1(F)C[NH2+]C[C@H]1OCC[S+](c1ccccc1)c1ccccc1 ZINC001217848164 1373506806 /nfs/dbraw/zinc/50/68/06/1373506806.db2.gz YTKAUVKUQJLHSV-QGZVFWFLSA-N 2 1 336.427 3.347 20 30 EGEDMP C=C(C)CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001224883494 1375082327 /nfs/dbraw/zinc/08/23/27/1375082327.db2.gz BXWORYQPKWBQHU-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C[NH+](C)Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001225331397 1375104901 /nfs/dbraw/zinc/10/49/01/1375104901.db2.gz CEFUZVCPIZFKFL-OAQYLSRUSA-N 2 1 335.451 3.273 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206235 1375209060 /nfs/dbraw/zinc/20/90/60/1375209060.db2.gz GSMKUDFYVKLQHV-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206235 1375209064 /nfs/dbraw/zinc/20/90/64/1375209064.db2.gz GSMKUDFYVKLQHV-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206235 1375209068 /nfs/dbraw/zinc/20/90/68/1375209068.db2.gz GSMKUDFYVKLQHV-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226333025 1375241038 /nfs/dbraw/zinc/24/10/38/1375241038.db2.gz DVYWMGNIUPXFCT-NCXUSEDFSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132264826 1375254750 /nfs/dbraw/zinc/25/47/50/1375254750.db2.gz CADCSPJRGWWVMU-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265798 1375255241 /nfs/dbraw/zinc/25/52/41/1375255241.db2.gz SZOGHRLSATZGHT-MJGOQNOKSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229468167 1375841032 /nfs/dbraw/zinc/84/10/32/1375841032.db2.gz ADCKZIMVJOESPM-KRWDZBQOSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001133274541 1375888888 /nfs/dbraw/zinc/88/88/88/1375888888.db2.gz JUJHPCJGADTCOC-OALUTQOASA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133276010 1375889883 /nfs/dbraw/zinc/88/98/83/1375889883.db2.gz YVAZZZXWAFASSJ-RBUKOAKNSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001229984777 1375925501 /nfs/dbraw/zinc/92/55/01/1375925501.db2.gz BCYAYLSZEPTBBR-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598507 1376094776 /nfs/dbraw/zinc/09/47/76/1376094776.db2.gz QRRYYSUULWKOFS-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCC1 ZINC001232363731 1376448747 /nfs/dbraw/zinc/44/87/47/1376448747.db2.gz OHBCGGPOFGEEDW-UHFFFAOYSA-N 2 1 328.504 3.154 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077658 1376882505 /nfs/dbraw/zinc/88/25/05/1376882505.db2.gz QWOAHFNIOHWUTF-ROUUACIJSA-N 2 1 337.552 3.480 20 30 EGEDMP N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001137119563 1377481635 /nfs/dbraw/zinc/48/16/35/1377481635.db2.gz WACMSBPIKHRKSD-IBGZPJMESA-N 2 1 327.472 3.429 20 30 EGEDMP N#CCOc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC001137119563 1377481636 /nfs/dbraw/zinc/48/16/36/1377481636.db2.gz WACMSBPIKHRKSD-IBGZPJMESA-N 2 1 327.472 3.429 20 30 EGEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001138769764 1377782239 /nfs/dbraw/zinc/78/22/39/1377782239.db2.gz ZUUIIXBDSFHRRP-UHFFFAOYSA-N 2 1 335.451 3.057 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879989 1380149109 /nfs/dbraw/zinc/14/91/09/1380149109.db2.gz SBPMWQCJWPNIEN-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879989 1380149111 /nfs/dbraw/zinc/14/91/11/1380149111.db2.gz SBPMWQCJWPNIEN-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879989 1380149113 /nfs/dbraw/zinc/14/91/13/1380149113.db2.gz SBPMWQCJWPNIEN-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156384116 1380568823 /nfs/dbraw/zinc/56/88/23/1380568823.db2.gz XSTRSOGKPFRBEX-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156384116 1380568824 /nfs/dbraw/zinc/56/88/24/1380568824.db2.gz XSTRSOGKPFRBEX-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156384116 1380568825 /nfs/dbraw/zinc/56/88/25/1380568825.db2.gz XSTRSOGKPFRBEX-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132462 1380782811 /nfs/dbraw/zinc/78/28/11/1380782811.db2.gz ICXUTEOVHZQBHK-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132462 1380782814 /nfs/dbraw/zinc/78/28/14/1380782814.db2.gz ICXUTEOVHZQBHK-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157977766 1381091352 /nfs/dbraw/zinc/09/13/52/1381091352.db2.gz GXNBJUBWESIHLB-VAMGGRTRSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157977766 1381091360 /nfs/dbraw/zinc/09/13/60/1381091360.db2.gz GXNBJUBWESIHLB-VAMGGRTRSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157977766 1381091368 /nfs/dbraw/zinc/09/13/68/1381091368.db2.gz GXNBJUBWESIHLB-VAMGGRTRSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158067240 1381119314 /nfs/dbraw/zinc/11/93/14/1381119314.db2.gz YFOXMDSYPSMLEP-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158067240 1381119320 /nfs/dbraw/zinc/11/93/20/1381119320.db2.gz YFOXMDSYPSMLEP-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158067240 1381119322 /nfs/dbraw/zinc/11/93/22/1381119322.db2.gz YFOXMDSYPSMLEP-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001158689910 1381354070 /nfs/dbraw/zinc/35/40/70/1381354070.db2.gz VAZFDEFNTVANRT-HXUWFJFHSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704881 1382485092 /nfs/dbraw/zinc/48/50/92/1382485092.db2.gz IXUAMNJXUJMNAM-UXHICEINSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870298 1382535017 /nfs/dbraw/zinc/53/50/17/1382535017.db2.gz YPSGVZASGRQWER-UHFFFAOYSA-N 2 1 344.503 3.076 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870298 1382535020 /nfs/dbraw/zinc/53/50/20/1382535020.db2.gz YPSGVZASGRQWER-UHFFFAOYSA-N 2 1 344.503 3.076 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952050 1382567062 /nfs/dbraw/zinc/56/70/62/1382567062.db2.gz BILDKZGTDWFNMT-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP COc1cccc(C2(Nc3[nH+]ccc4[nH]cc(C#N)c43)CC[NH2+]CC2)c1 ZINC001161996089 1382593139 /nfs/dbraw/zinc/59/31/39/1382593139.db2.gz CKVJRPFNOCDLNI-UHFFFAOYSA-N 2 1 347.422 3.134 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473272 1383300210 /nfs/dbraw/zinc/30/02/10/1383300210.db2.gz ZGAGHLKPIKOPEC-RBUKOAKNSA-N 2 1 349.563 3.480 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751872 1383471384 /nfs/dbraw/zinc/47/13/84/1383471384.db2.gz YGGMBPUOXBPKOG-UHFFFAOYSA-N 2 1 347.547 3.227 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351968 1383606955 /nfs/dbraw/zinc/60/69/55/1383606955.db2.gz VABLIMMRAQMFCM-QGZVFWFLSA-N 2 1 346.519 3.237 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167710767 1383718754 /nfs/dbraw/zinc/71/87/54/1383718754.db2.gz NKVBISGHEOJAKV-IBGZPJMESA-N 2 1 343.515 3.132 20 30 EGEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167827032 1383750952 /nfs/dbraw/zinc/75/09/52/1383750952.db2.gz ROYTZXINOUYMDY-HSALFYBXSA-N 2 1 338.536 3.323 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168024227 1383799619 /nfs/dbraw/zinc/79/96/19/1383799619.db2.gz CORACIZKURCWNF-UPHUGPLXSA-N 2 1 334.467 3.484 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168024227 1383799622 /nfs/dbraw/zinc/79/96/22/1383799622.db2.gz CORACIZKURCWNF-UPHUGPLXSA-N 2 1 334.467 3.484 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)[C@H]2CC ZINC001169129176 1384110961 /nfs/dbraw/zinc/11/09/61/1384110961.db2.gz HMZDAAYSBVWOKS-KKKDIUQISA-N 2 1 345.531 3.033 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)[C@H]2CC ZINC001169129176 1384110963 /nfs/dbraw/zinc/11/09/63/1384110963.db2.gz HMZDAAYSBVWOKS-KKKDIUQISA-N 2 1 345.531 3.033 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@H]2CC ZINC001169129176 1384110964 /nfs/dbraw/zinc/11/09/64/1384110964.db2.gz HMZDAAYSBVWOKS-KKKDIUQISA-N 2 1 345.531 3.033 20 30 EGEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001169142171 1384113165 /nfs/dbraw/zinc/11/31/65/1384113165.db2.gz AIUJHBDPSCPWSM-MANSERQUSA-N 2 1 325.456 3.027 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001169142171 1384113167 /nfs/dbraw/zinc/11/31/67/1384113167.db2.gz AIUJHBDPSCPWSM-MANSERQUSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001169142171 1384113169 /nfs/dbraw/zinc/11/31/69/1384113169.db2.gz AIUJHBDPSCPWSM-MANSERQUSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Oc3ccccc3C#N)C1)C2 ZINC001169142171 1384113171 /nfs/dbraw/zinc/11/31/71/1384113171.db2.gz AIUJHBDPSCPWSM-MANSERQUSA-N 2 1 325.456 3.027 20 30 EGEDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319327 1384769180 /nfs/dbraw/zinc/76/91/80/1384769180.db2.gz MVGMWUMPHZFGEZ-LAUBAEHRSA-N 2 1 341.499 3.064 20 30 EGEDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319327 1384769184 /nfs/dbraw/zinc/76/91/84/1384769184.db2.gz MVGMWUMPHZFGEZ-LAUBAEHRSA-N 2 1 341.499 3.064 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175566643 1385334085 /nfs/dbraw/zinc/33/40/85/1385334085.db2.gz XFXWVPCYOJVZLQ-QGZVFWFLSA-N 2 1 334.508 3.237 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001177335762 1385918042 /nfs/dbraw/zinc/91/80/42/1385918042.db2.gz JVZGWWLOTCEVGM-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345133 1385922006 /nfs/dbraw/zinc/92/20/06/1385922006.db2.gz QCQZNGGLCOVYEY-UHFFFAOYSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001177349140 1385924273 /nfs/dbraw/zinc/92/42/73/1385924273.db2.gz ZFKFGUNIGMVYCG-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001177416287 1385949824 /nfs/dbraw/zinc/94/98/24/1385949824.db2.gz ZNULLRDXPZZBDT-UHFFFAOYSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001177440931 1385958622 /nfs/dbraw/zinc/95/86/22/1385958622.db2.gz UUDOBIXVVLSNQN-PMACEKPBSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)C1CC1 ZINC001319369721 1386085362 /nfs/dbraw/zinc/08/53/62/1386085362.db2.gz NQWTZQRKVXKJEE-NRFANRHFSA-N 2 1 327.516 3.268 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178811365 1386314562 /nfs/dbraw/zinc/31/45/62/1386314562.db2.gz SQVWTDSMYRAHDF-OALUTQOASA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001752841719 1440230906 /nfs/dbraw/zinc/23/09/06/1440230906.db2.gz SPFNUHMBJQVEHX-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753332155 1440370070 /nfs/dbraw/zinc/37/00/70/1440370070.db2.gz JBXUWUINDCDDKT-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753332155 1440370071 /nfs/dbraw/zinc/37/00/71/1440370071.db2.gz JBXUWUINDCDDKT-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753332155 1440370072 /nfs/dbraw/zinc/37/00/72/1440370072.db2.gz JBXUWUINDCDDKT-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001753576045 1440439295 /nfs/dbraw/zinc/43/92/95/1440439295.db2.gz PHZNFEXQIMCQMN-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001755076609 1440748994 /nfs/dbraw/zinc/74/89/94/1440748994.db2.gz FKJDYHHKZSAZIE-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001755076609 1440748995 /nfs/dbraw/zinc/74/89/95/1440748995.db2.gz FKJDYHHKZSAZIE-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001755076609 1440748996 /nfs/dbraw/zinc/74/89/96/1440748996.db2.gz FKJDYHHKZSAZIE-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001755142630 1440761542 /nfs/dbraw/zinc/76/15/42/1440761542.db2.gz SVDWHEMIFFTATE-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001755167016 1440767465 /nfs/dbraw/zinc/76/74/65/1440767465.db2.gz JUCYKYSIFPNUCD-XLIONFOSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755275358 1440798847 /nfs/dbraw/zinc/79/88/47/1440798847.db2.gz UXLFZEQSNUNLLN-SOAGJPPSSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755536181 1440869606 /nfs/dbraw/zinc/86/96/06/1440869606.db2.gz JSSBRKXIRIFLDP-FQEVSTJZSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755536181 1440869607 /nfs/dbraw/zinc/86/96/07/1440869607.db2.gz JSSBRKXIRIFLDP-FQEVSTJZSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001755720461 1440906979 /nfs/dbraw/zinc/90/69/79/1440906979.db2.gz HWOSHGQXXWSJNZ-MJGOQNOKSA-N 2 1 335.536 3.042 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001755890067 1440941037 /nfs/dbraw/zinc/94/10/37/1440941037.db2.gz WHYKSBXURFRLEU-UHFFFAOYSA-N 2 1 347.547 3.334 20 30 EGEDMP COc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1C#N ZINC000174266163 533659409 /nfs/dbraw/zinc/65/94/09/533659409.db2.gz AVGCEGOGTZWPGM-UHFFFAOYSA-N 2 1 349.478 3.364 20 30 EGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544710 266153253 /nfs/dbraw/zinc/15/32/53/266153253.db2.gz YYCYGVBJSHESLK-UKRRQHHQSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544710 266153257 /nfs/dbraw/zinc/15/32/57/266153257.db2.gz YYCYGVBJSHESLK-UKRRQHHQSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544710 266153259 /nfs/dbraw/zinc/15/32/59/266153259.db2.gz YYCYGVBJSHESLK-UKRRQHHQSA-N 2 1 334.489 3.402 20 30 EGEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271954238 267179621 /nfs/dbraw/zinc/17/96/21/267179621.db2.gz PJLMAEOHPAZQGS-PNHOKKKMSA-N 2 1 345.462 3.116 20 30 EGEDMP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1OCCCC#N ZINC000064613864 454494018 /nfs/dbraw/zinc/49/40/18/454494018.db2.gz CGBDWSAKAPGMHI-UHFFFAOYSA-N 2 1 333.476 3.198 20 30 EGEDMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1OCCCC#N ZINC000064613864 454494020 /nfs/dbraw/zinc/49/40/20/454494020.db2.gz CGBDWSAKAPGMHI-UHFFFAOYSA-N 2 1 333.476 3.198 20 30 EGEDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000162943032 454811225 /nfs/dbraw/zinc/81/12/25/454811225.db2.gz BMIPSICUQMBRRI-UHFFFAOYSA-N 2 1 338.455 3.387 20 30 EGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246396343 455483191 /nfs/dbraw/zinc/48/31/91/455483191.db2.gz OTRVKWYMIJPGOA-FGTMMUONSA-N 2 1 341.499 3.440 20 30 EGEDMP C=CCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293349121 455783296 /nfs/dbraw/zinc/78/32/96/455783296.db2.gz NNQIOABEXFWMLW-HXUWFJFHSA-N 2 1 328.500 3.302 20 30 EGEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(C#N)c3F)CC2)C[C@H](C)O1 ZINC000352886256 456389580 /nfs/dbraw/zinc/38/95/80/456389580.db2.gz GIAPMXPKSBKXMR-HOTGVXAUSA-N 2 1 345.462 3.019 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H](c1nccn1C)C1CCOCC1 ZINC000329166518 456846874 /nfs/dbraw/zinc/84/68/74/456846874.db2.gz HUBGNGZJDSPNEN-CRAIPNDOSA-N 2 1 348.491 3.109 20 30 EGEDMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc(OC)c1O ZINC000353754844 456892095 /nfs/dbraw/zinc/89/20/95/456892095.db2.gz QPAPWKFPGFGTOF-YJBOKZPZSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc(OC)c1O ZINC000353754844 456892098 /nfs/dbraw/zinc/89/20/98/456892098.db2.gz QPAPWKFPGFGTOF-YJBOKZPZSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc(OC)c1O ZINC000353754844 456892101 /nfs/dbraw/zinc/89/21/01/456892101.db2.gz QPAPWKFPGFGTOF-YJBOKZPZSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc(OC)c1O ZINC000353754844 456892104 /nfs/dbraw/zinc/89/21/04/456892104.db2.gz QPAPWKFPGFGTOF-YJBOKZPZSA-N 2 1 332.488 3.434 20 30 EGEDMP CC(C)N(Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C#N)cc1 ZINC000347611647 457548457 /nfs/dbraw/zinc/54/84/57/457548457.db2.gz MZBMAQHNLBIKPL-UHFFFAOYSA-N 2 1 328.485 3.487 20 30 EGEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411226339 457834264 /nfs/dbraw/zinc/83/42/64/457834264.db2.gz SRCXFLVOICOHTD-WOJBJXKFSA-N 2 1 346.563 3.341 20 30 EGEDMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1C#N ZINC000443985849 457834576 /nfs/dbraw/zinc/83/45/76/457834576.db2.gz ZYUBCEXRUOEYQQ-SFHVURJKSA-N 2 1 349.478 3.377 20 30 EGEDMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1C#N ZINC000443985849 457834594 /nfs/dbraw/zinc/83/45/94/457834594.db2.gz ZYUBCEXRUOEYQQ-SFHVURJKSA-N 2 1 349.478 3.377 20 30 EGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000437585279 458471154 /nfs/dbraw/zinc/47/11/54/458471154.db2.gz ZYTLTQLNRGBDKN-LJQANCHMSA-N 2 1 334.891 3.124 20 30 EGEDMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(C#N)n(C)c2)C[N@H+]1Cc1ccccc1 ZINC000480305041 459193786 /nfs/dbraw/zinc/19/37/86/459193786.db2.gz DBZYAXCMRIDKQG-PKOBYXMFSA-N 2 1 336.483 3.287 20 30 EGEDMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C#N)n(C)c2)C[N@H+]1Cc1ccccc1 ZINC000480305039 459193802 /nfs/dbraw/zinc/19/38/02/459193802.db2.gz DBZYAXCMRIDKQG-IEBWSBKVSA-N 2 1 336.483 3.287 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559754404 459276480 /nfs/dbraw/zinc/27/64/80/459276480.db2.gz ZRFZIMPAKSKEIO-LEWJYISDSA-N 2 1 327.516 3.452 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560546041 459371288 /nfs/dbraw/zinc/37/12/88/459371288.db2.gz SKBUTMHPGMPCKV-DXBBTUNJSA-N 2 1 342.527 3.451 20 30 EGEDMP N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612051957 460520958 /nfs/dbraw/zinc/52/09/58/460520958.db2.gz ZANARWGLHUUYQR-MXEMCNAFSA-N 2 1 336.483 3.320 20 30 EGEDMP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612051957 460520966 /nfs/dbraw/zinc/52/09/66/460520966.db2.gz ZANARWGLHUUYQR-MXEMCNAFSA-N 2 1 336.483 3.320 20 30 EGEDMP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612051957 460520971 /nfs/dbraw/zinc/52/09/71/460520971.db2.gz ZANARWGLHUUYQR-MXEMCNAFSA-N 2 1 336.483 3.320 20 30 EGEDMP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655777109 461440509 /nfs/dbraw/zinc/44/05/09/461440509.db2.gz RLOXUCCFUXONHI-NHCUHLMSSA-N 2 1 328.500 3.407 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000152935844 526605030 /nfs/dbraw/zinc/60/50/30/526605030.db2.gz VOPVRPQXCJTRDM-HNNXBMFYSA-N 2 1 333.451 3.173 20 30 EGEDMP CC(C)C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000181460356 528329129 /nfs/dbraw/zinc/32/91/29/528329129.db2.gz RQZDRURFXLYUKW-NRFANRHFSA-N 2 1 342.531 3.089 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000836219095 1293461798 /nfs/dbraw/zinc/46/17/98/1293461798.db2.gz YQZPRAXCUBSEPL-UHFFFAOYSA-N 2 1 338.480 3.108 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000836219095 1293461802 /nfs/dbraw/zinc/46/18/02/1293461802.db2.gz YQZPRAXCUBSEPL-UHFFFAOYSA-N 2 1 338.480 3.108 20 30 EGEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCCCC1 ZINC000126032102 1293522814 /nfs/dbraw/zinc/52/28/14/1293522814.db2.gz MDUNFWQQBACOFE-INIZCTEOSA-N 2 1 334.533 3.151 20 30 EGEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2CC)c1 ZINC000178566769 1294743177 /nfs/dbraw/zinc/74/31/77/1294743177.db2.gz PWGHGLICXINRDL-OAHLLOKOSA-N 2 1 348.491 3.085 20 30 EGEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237376133 1296238595 /nfs/dbraw/zinc/23/85/95/1296238595.db2.gz IKWDBZLGXOAIGJ-INIZCTEOSA-N 2 1 326.444 3.300 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)NCC(C)(C)C ZINC000246248841 1296345090 /nfs/dbraw/zinc/34/50/90/1296345090.db2.gz SNTDFTZFPDJOIU-GOEBONIOSA-N 2 1 336.549 3.342 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])NCC2CCC2)C1 ZINC000303867687 1296862386 /nfs/dbraw/zinc/86/23/86/1296862386.db2.gz ADVKRDPSVHMPSQ-MRXNPFEDSA-N 2 1 328.504 3.123 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000303911727 1296878910 /nfs/dbraw/zinc/87/89/10/1296878910.db2.gz ZTUVHEPVABJABY-QWHCGFSZSA-N 2 1 338.883 3.196 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000303911729 1296880968 /nfs/dbraw/zinc/88/09/68/1296880968.db2.gz ZTUVHEPVABJABY-STQMWFEESA-N 2 1 338.883 3.196 20 30 EGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000876719641 1298936224 /nfs/dbraw/zinc/93/62/24/1298936224.db2.gz QNIJEKDOGJDCMR-QAPCUYQASA-N 2 1 349.906 3.147 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(O)c(OC)c1 ZINC000754735724 1300204172 /nfs/dbraw/zinc/20/41/72/1300204172.db2.gz ANFPUJSESKLWRK-SFHVURJKSA-N 2 1 344.499 3.293 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(O)c(OC)c1 ZINC000754735724 1300204181 /nfs/dbraw/zinc/20/41/81/1300204181.db2.gz ANFPUJSESKLWRK-SFHVURJKSA-N 2 1 344.499 3.293 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(O)c(OC)c1 ZINC000754735724 1300204191 /nfs/dbraw/zinc/20/41/91/1300204191.db2.gz ANFPUJSESKLWRK-SFHVURJKSA-N 2 1 344.499 3.293 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000783293415 1305077809 /nfs/dbraw/zinc/07/78/09/1305077809.db2.gz HDUDEOXUWCHZHJ-ILWGZMRPSA-N 2 1 346.478 3.344 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000783293415 1305077815 /nfs/dbraw/zinc/07/78/15/1305077815.db2.gz HDUDEOXUWCHZHJ-ILWGZMRPSA-N 2 1 346.478 3.344 20 30 EGEDMP C=CC[NH+]1CCC([NH2+]CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000892880726 1305592401 /nfs/dbraw/zinc/59/24/01/1305592401.db2.gz HESSMPOSBJOKEF-UHFFFAOYSA-N 2 1 328.378 3.368 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1O ZINC000793764419 1309436709 /nfs/dbraw/zinc/43/67/09/1309436709.db2.gz HBNQNSKAKPMXDM-FQEVSTJZSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1O ZINC000793764419 1309436713 /nfs/dbraw/zinc/43/67/13/1309436713.db2.gz HBNQNSKAKPMXDM-FQEVSTJZSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000793764419 1309436715 /nfs/dbraw/zinc/43/67/15/1309436715.db2.gz HBNQNSKAKPMXDM-FQEVSTJZSA-N 2 1 330.472 3.047 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000957113850 1317194977 /nfs/dbraw/zinc/19/49/77/1317194977.db2.gz SZOAMLLNJFANGK-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000957113850 1317194981 /nfs/dbraw/zinc/19/49/81/1317194981.db2.gz SZOAMLLNJFANGK-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C#Cc1ccc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)cc1 ZINC000809585583 1317839250 /nfs/dbraw/zinc/83/92/50/1317839250.db2.gz CQEVWWVQBQFOAG-UHFFFAOYSA-N 2 1 328.500 3.238 20 30 EGEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000817919532 1319459818 /nfs/dbraw/zinc/45/98/18/1319459818.db2.gz SOODYRHRINOCIS-SCWSEQNSSA-N 2 1 337.467 3.416 20 30 EGEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH+]Cc2ccccc2)N(C)C)c1 ZINC000849068604 1322065518 /nfs/dbraw/zinc/06/55/18/1322065518.db2.gz WANNRJZGQGAYSQ-UHFFFAOYSA-N 2 1 338.499 3.346 20 30 EGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000924643839 1323090876 /nfs/dbraw/zinc/09/08/76/1323090876.db2.gz QWNUJLLYJVSPHG-ICSRJNTNSA-N 2 1 342.531 3.283 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485382 1328318001 /nfs/dbraw/zinc/31/80/01/1328318001.db2.gz BEZSVRHZXUHLAF-WBVHZDCISA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485382 1328318007 /nfs/dbraw/zinc/31/80/07/1328318007.db2.gz BEZSVRHZXUHLAF-WBVHZDCISA-N 2 1 349.544 3.216 20 30 EGEDMP CCC[N@@H+](CCO[C@H](C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000934189164 1329953375 /nfs/dbraw/zinc/95/33/75/1329953375.db2.gz VOVNOXPWLHJICS-GOSISDBHSA-N 2 1 329.488 3.292 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057685 1333358314 /nfs/dbraw/zinc/35/83/14/1333358314.db2.gz XSUUSPKRQIOMKX-MAUKXSAKSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948057685 1333358316 /nfs/dbraw/zinc/35/83/16/1333358316.db2.gz XSUUSPKRQIOMKX-MAUKXSAKSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928536 1336092887 /nfs/dbraw/zinc/09/28/87/1336092887.db2.gz NJOGICKECYFMOH-PMACEKPBSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928536 1336092888 /nfs/dbraw/zinc/09/28/88/1336092888.db2.gz NJOGICKECYFMOH-PMACEKPBSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928536 1336092891 /nfs/dbraw/zinc/09/28/91/1336092891.db2.gz NJOGICKECYFMOH-PMACEKPBSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001017689488 1339391723 /nfs/dbraw/zinc/39/17/23/1339391723.db2.gz OVHISXYOBXUCAG-KDURUIRLSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689488 1339391725 /nfs/dbraw/zinc/39/17/25/1339391725.db2.gz OVHISXYOBXUCAG-KDURUIRLSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001017689488 1339391726 /nfs/dbraw/zinc/39/17/26/1339391726.db2.gz OVHISXYOBXUCAG-KDURUIRLSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028251792 1340512981 /nfs/dbraw/zinc/51/29/81/1340512981.db2.gz LUEREJIVGXAYEB-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028251792 1340512982 /nfs/dbraw/zinc/51/29/82/1340512982.db2.gz LUEREJIVGXAYEB-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028251792 1340512984 /nfs/dbraw/zinc/51/29/84/1340512984.db2.gz LUEREJIVGXAYEB-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918289 1340883493 /nfs/dbraw/zinc/88/34/93/1340883493.db2.gz DIGYCROEORECJZ-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918289 1340883495 /nfs/dbraw/zinc/88/34/95/1340883495.db2.gz DIGYCROEORECJZ-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918289 1340883497 /nfs/dbraw/zinc/88/34/97/1340883497.db2.gz DIGYCROEORECJZ-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034481288 1342538580 /nfs/dbraw/zinc/53/85/80/1342538580.db2.gz SMTSYJOXTTVZGP-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034481288 1342538589 /nfs/dbraw/zinc/53/85/89/1342538589.db2.gz SMTSYJOXTTVZGP-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034481288 1342538593 /nfs/dbraw/zinc/53/85/93/1342538593.db2.gz SMTSYJOXTTVZGP-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542824 1342602846 /nfs/dbraw/zinc/60/28/46/1342602846.db2.gz BKGAIMIEUZCMSC-IBGZPJMESA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001034749078 1342736706 /nfs/dbraw/zinc/73/67/06/1342736706.db2.gz GOPCDJLMSIZHAU-BRWVUGGUSA-N 2 1 341.927 3.019 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241580 1344966891 /nfs/dbraw/zinc/96/68/91/1344966891.db2.gz DJHCXSCKLXAHCR-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433845 1345496747 /nfs/dbraw/zinc/49/67/47/1345496747.db2.gz ZRRJAKJYFMODHK-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441612 1346594409 /nfs/dbraw/zinc/59/44/09/1346594409.db2.gz IBZPWGGKMZAZKR-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937798 1346774035 /nfs/dbraw/zinc/77/40/35/1346774035.db2.gz KPJJEHJGKXVSAX-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045937798 1346774036 /nfs/dbraw/zinc/77/40/36/1346774036.db2.gz KPJJEHJGKXVSAX-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045937798 1346774038 /nfs/dbraw/zinc/77/40/38/1346774038.db2.gz KPJJEHJGKXVSAX-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985938 1346826812 /nfs/dbraw/zinc/82/68/12/1346826812.db2.gz FKZSECBDCSEETC-NRFANRHFSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486594 1347872023 /nfs/dbraw/zinc/87/20/23/1347872023.db2.gz SEADCOQEAIIRHR-FGTMMUONSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486594 1347872026 /nfs/dbraw/zinc/87/20/26/1347872026.db2.gz SEADCOQEAIIRHR-FGTMMUONSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049760672 1348005434 /nfs/dbraw/zinc/00/54/34/1348005434.db2.gz AXXJZFKGZIOIBN-SLFFLAALSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052650993 1348613792 /nfs/dbraw/zinc/61/37/92/1348613792.db2.gz CCVOTHYQXZTSQO-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052650993 1348613795 /nfs/dbraw/zinc/61/37/95/1348613795.db2.gz CCVOTHYQXZTSQO-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052650993 1348613796 /nfs/dbraw/zinc/61/37/96/1348613796.db2.gz CCVOTHYQXZTSQO-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001099121143 1363634857 /nfs/dbraw/zinc/63/48/57/1363634857.db2.gz JEVFEUPYNPLJQZ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001099121143 1363634861 /nfs/dbraw/zinc/63/48/61/1363634861.db2.gz JEVFEUPYNPLJQZ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099121143 1363634864 /nfs/dbraw/zinc/63/48/64/1363634864.db2.gz JEVFEUPYNPLJQZ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099121143 1363634867 /nfs/dbraw/zinc/63/48/67/1363634867.db2.gz JEVFEUPYNPLJQZ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085389381 1358486228 /nfs/dbraw/zinc/48/62/28/1358486228.db2.gz GSGWAUIPEUCBIG-QRVBRYPASA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086784615 1359201394 /nfs/dbraw/zinc/20/13/94/1359201394.db2.gz GKSXMAQVKLZDMC-NSHGMRRFSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086850068 1359213818 /nfs/dbraw/zinc/21/38/18/1359213818.db2.gz OPYAIZRQYNQGAJ-IPMKNSEASA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921629 1359248162 /nfs/dbraw/zinc/24/81/62/1359248162.db2.gz VJNPHGUMACUBFZ-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086927344 1359252810 /nfs/dbraw/zinc/25/28/10/1359252810.db2.gz ZTPQVEAPNAVEBR-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400821 1360400823 /nfs/dbraw/zinc/40/08/23/1360400823.db2.gz LIJOJWDFVDPLEW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400821 1360400825 /nfs/dbraw/zinc/40/08/25/1360400825.db2.gz LIJOJWDFVDPLEW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400821 1360400828 /nfs/dbraw/zinc/40/08/28/1360400828.db2.gz LIJOJWDFVDPLEW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089734055 1360638105 /nfs/dbraw/zinc/63/81/05/1360638105.db2.gz GKOSJPXFKOYZAD-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734055 1360638109 /nfs/dbraw/zinc/63/81/09/1360638109.db2.gz GKOSJPXFKOYZAD-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089734055 1360638112 /nfs/dbraw/zinc/63/81/12/1360638112.db2.gz GKOSJPXFKOYZAD-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313445 1362460288 /nfs/dbraw/zinc/46/02/88/1362460288.db2.gz GTUSYABYQUZTQD-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313445 1362460291 /nfs/dbraw/zinc/46/02/91/1362460291.db2.gz GTUSYABYQUZTQD-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313445 1362460296 /nfs/dbraw/zinc/46/02/96/1362460296.db2.gz GTUSYABYQUZTQD-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106526 1363624576 /nfs/dbraw/zinc/62/45/76/1363624576.db2.gz IFTDBIOHZVIRNN-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106526 1363624579 /nfs/dbraw/zinc/62/45/79/1363624579.db2.gz IFTDBIOHZVIRNN-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106526 1363624582 /nfs/dbraw/zinc/62/45/82/1363624582.db2.gz IFTDBIOHZVIRNN-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164086 1363664846 /nfs/dbraw/zinc/66/48/46/1363664846.db2.gz APFZONKRLJIQGA-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099320170 1363747400 /nfs/dbraw/zinc/74/74/00/1363747400.db2.gz HOTZZKROHSRBJF-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099320170 1363747404 /nfs/dbraw/zinc/74/74/04/1363747404.db2.gz HOTZZKROHSRBJF-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099320170 1363747405 /nfs/dbraw/zinc/74/74/05/1363747405.db2.gz HOTZZKROHSRBJF-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001099350231 1363767053 /nfs/dbraw/zinc/76/70/53/1363767053.db2.gz YEVJEBHUTXAYFL-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354230 1363768588 /nfs/dbraw/zinc/76/85/88/1363768588.db2.gz PDPBXVIHISLEBT-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001100680990 1364215589 /nfs/dbraw/zinc/21/55/89/1364215589.db2.gz PSKZNBKOUOQOQS-UHFFFAOYSA-N 2 1 337.552 3.173 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100720564 1364234572 /nfs/dbraw/zinc/23/45/72/1364234572.db2.gz YKITYNKIFMORPN-UHFFFAOYSA-N 2 1 348.535 3.461 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848441 1364289901 /nfs/dbraw/zinc/28/99/01/1364289901.db2.gz MXPIZSGCBGORQI-ACBHZAAOSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267846 1364492077 /nfs/dbraw/zinc/49/20/77/1364492077.db2.gz VBOLZZYTYHKOTQ-SBHAEUEKSA-N 2 1 349.563 3.077 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001101566628 1364623155 /nfs/dbraw/zinc/62/31/55/1364623155.db2.gz ADLALIMVQTZILC-ROUUACIJSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974949 1364795370 /nfs/dbraw/zinc/79/53/70/1364795370.db2.gz YIRZMUSZQOKQCH-GUDVDZBRSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368091 1365026836 /nfs/dbraw/zinc/02/68/36/1365026836.db2.gz DKBZRRCVALZZOT-CEXWTWQISA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368091 1365026838 /nfs/dbraw/zinc/02/68/38/1365026838.db2.gz DKBZRRCVALZZOT-CEXWTWQISA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368091 1365026841 /nfs/dbraw/zinc/02/68/41/1365026841.db2.gz DKBZRRCVALZZOT-CEXWTWQISA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007349 1365335225 /nfs/dbraw/zinc/33/52/25/1365335225.db2.gz KRJCXYLSDILSIQ-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001103007349 1365335227 /nfs/dbraw/zinc/33/52/27/1365335227.db2.gz KRJCXYLSDILSIQ-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103537136 1365619641 /nfs/dbraw/zinc/61/96/41/1365619641.db2.gz UZBFBIPAECBLME-YLJYHZDGSA-N 2 1 343.515 3.012 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185681230 1387776335 /nfs/dbraw/zinc/77/63/35/1387776335.db2.gz KCQXALRCBWQHTC-PKOBYXMFSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676420 1366127274 /nfs/dbraw/zinc/12/72/74/1366127274.db2.gz JEOLAEJZEAFWSU-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104895655 1366213444 /nfs/dbraw/zinc/21/34/44/1366213444.db2.gz DUWQWNLXPOWVQW-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105537558 1366517165 /nfs/dbraw/zinc/51/71/65/1366517165.db2.gz TZNJRWFCPQUTAB-OALUTQOASA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001105539908 1366518939 /nfs/dbraw/zinc/51/89/39/1366518939.db2.gz SKTSLXSOLJRDNG-QRVBRYPASA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563718 1366532696 /nfs/dbraw/zinc/53/26/96/1366532696.db2.gz RCWARDSWZYJUCO-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249783 1366633862 /nfs/dbraw/zinc/63/38/62/1366633862.db2.gz PTMTVDUIFGVSDE-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574832 1366741520 /nfs/dbraw/zinc/74/15/20/1366741520.db2.gz OXKWBHDFXNCALR-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581472 1366742969 /nfs/dbraw/zinc/74/29/69/1366742969.db2.gz DYCZHYBQUQNNJG-FUMNGEBKSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518232 1367015432 /nfs/dbraw/zinc/01/54/32/1367015432.db2.gz OOQIBQLSWOUABW-CTAFRAEOSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518232 1367015438 /nfs/dbraw/zinc/01/54/38/1367015438.db2.gz OOQIBQLSWOUABW-CTAFRAEOSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518232 1367015442 /nfs/dbraw/zinc/01/54/42/1367015442.db2.gz OOQIBQLSWOUABW-CTAFRAEOSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306351 1367047466 /nfs/dbraw/zinc/04/74/66/1367047466.db2.gz WEPMHYFWBPUHJN-QQXKLLMISA-N 2 1 335.536 3.019 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109306351 1367047470 /nfs/dbraw/zinc/04/74/70/1367047470.db2.gz WEPMHYFWBPUHJN-QQXKLLMISA-N 2 1 335.536 3.019 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109306351 1367047475 /nfs/dbraw/zinc/04/74/75/1367047475.db2.gz WEPMHYFWBPUHJN-QQXKLLMISA-N 2 1 335.536 3.019 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107633050 1367084885 /nfs/dbraw/zinc/08/48/85/1367084885.db2.gz HBTRGTICNISOQW-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109463916 1367138256 /nfs/dbraw/zinc/13/82/56/1367138256.db2.gz CQJDJJXGWSDYRW-SQNIBIBYSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463916 1367138261 /nfs/dbraw/zinc/13/82/61/1367138261.db2.gz CQJDJJXGWSDYRW-SQNIBIBYSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109463916 1367138266 /nfs/dbraw/zinc/13/82/66/1367138266.db2.gz CQJDJJXGWSDYRW-SQNIBIBYSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186081908 1387861880 /nfs/dbraw/zinc/86/18/80/1387861880.db2.gz DWNWZLVLHYORCG-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190493248 1367276148 /nfs/dbraw/zinc/27/61/48/1367276148.db2.gz WVFNSEUFGOQQKG-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190493248 1367276153 /nfs/dbraw/zinc/27/61/53/1367276153.db2.gz WVFNSEUFGOQQKG-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001190493248 1367276157 /nfs/dbraw/zinc/27/61/57/1367276157.db2.gz WVFNSEUFGOQQKG-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654823 1367318616 /nfs/dbraw/zinc/31/86/16/1367318616.db2.gz LYBYLKVKUGOZJH-MSOLQXFVSA-N 2 1 346.519 3.264 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654823 1367318618 /nfs/dbraw/zinc/31/86/18/1367318618.db2.gz LYBYLKVKUGOZJH-MSOLQXFVSA-N 2 1 346.519 3.264 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780732 1367592532 /nfs/dbraw/zinc/59/25/32/1367592532.db2.gz KVJOHFREFKKFML-ZCNNSNEGSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415357 1368303154 /nfs/dbraw/zinc/30/31/54/1368303154.db2.gz QTCUFGBOGSZNQI-NMLBUPMWSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001111903720 1368546687 /nfs/dbraw/zinc/54/66/87/1368546687.db2.gz MADIVNRRTOMTBB-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111903720 1368546692 /nfs/dbraw/zinc/54/66/92/1368546692.db2.gz MADIVNRRTOMTBB-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111903720 1368546697 /nfs/dbraw/zinc/54/66/97/1368546697.db2.gz MADIVNRRTOMTBB-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641347 1368654123 /nfs/dbraw/zinc/65/41/23/1368654123.db2.gz BJZFNNXEYVDEJO-UHFFFAOYSA-N 2 1 335.536 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641347 1368654126 /nfs/dbraw/zinc/65/41/26/1368654126.db2.gz BJZFNNXEYVDEJO-UHFFFAOYSA-N 2 1 335.536 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641347 1368654130 /nfs/dbraw/zinc/65/41/30/1368654130.db2.gz BJZFNNXEYVDEJO-UHFFFAOYSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197331859 1368790182 /nfs/dbraw/zinc/79/01/82/1368790182.db2.gz PARICMAIFWRLMN-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484784 1368824263 /nfs/dbraw/zinc/82/42/63/1368824263.db2.gz JFYBCCMTSKJOEM-MOPGFXCFSA-N 2 1 337.552 3.242 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401402 1368825571 /nfs/dbraw/zinc/82/55/71/1368825571.db2.gz BKJDECYVWKRFOS-WFXMLNOXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001112865038 1369056281 /nfs/dbraw/zinc/05/62/81/1369056281.db2.gz PTBCLPIFSFBCLM-SFHVURJKSA-N 2 1 346.519 3.287 20 30 EGEDMP C=CC[NH+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[N@H+](C)CC)CC2)CC1 ZINC001186598244 1387981368 /nfs/dbraw/zinc/98/13/68/1387981368.db2.gz RZMHDGPVWHOVCY-SFHVURJKSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CC[N@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+](C)CC)CC2)CC1 ZINC001186598244 1387981372 /nfs/dbraw/zinc/98/13/72/1387981372.db2.gz RZMHDGPVWHOVCY-SFHVURJKSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)[NH+](C)CC)CC2)CC1 ZINC001186598244 1387981376 /nfs/dbraw/zinc/98/13/76/1387981376.db2.gz RZMHDGPVWHOVCY-SFHVURJKSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001200893575 1369444960 /nfs/dbraw/zinc/44/49/60/1369444960.db2.gz FHNOOIJATNKDPK-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC001186946506 1388032410 /nfs/dbraw/zinc/03/24/10/1388032410.db2.gz RSLHJHDNOXMNBE-FQEVSTJZSA-N 2 1 341.499 3.053 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202947097 1369933796 /nfs/dbraw/zinc/93/37/96/1369933796.db2.gz FRPAGHXAMOOYSA-UHFFFAOYSA-N 2 1 346.519 3.299 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001203901263 1370307238 /nfs/dbraw/zinc/30/72/38/1370307238.db2.gz JKDOWLNYSVBBMD-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205241575 1370691848 /nfs/dbraw/zinc/69/18/48/1370691848.db2.gz FHOCXXHIKHJYSR-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206481445 1371068253 /nfs/dbraw/zinc/06/82/53/1371068253.db2.gz HQXINTYHXUUQME-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC1CC[NH+](C)CC1)[C@@H]2CC ZINC001207482550 1371410000 /nfs/dbraw/zinc/41/00/00/1371410000.db2.gz NPPRJMSZOMFYPJ-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001120393927 1371561622 /nfs/dbraw/zinc/56/16/22/1371561622.db2.gz YYBXRUBWNAKUPZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120393927 1371561626 /nfs/dbraw/zinc/56/16/26/1371561626.db2.gz YYBXRUBWNAKUPZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120393927 1371561628 /nfs/dbraw/zinc/56/16/28/1371561628.db2.gz YYBXRUBWNAKUPZ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121773404 1372076802 /nfs/dbraw/zinc/07/68/02/1372076802.db2.gz RRIFVZAOGOGGPK-PMRGXDQWSA-N 2 1 349.563 3.316 20 30 EGEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001122039774 1372158814 /nfs/dbraw/zinc/15/88/14/1372158814.db2.gz RXEHDMHEGVDXGZ-MBEFBZSESA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210797228 1372428171 /nfs/dbraw/zinc/42/81/71/1372428171.db2.gz PCXAWPGXWMLXGQ-GOSISDBHSA-N 2 1 325.541 3.269 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141600 1375166877 /nfs/dbraw/zinc/16/68/77/1375166877.db2.gz SMDJKKBNAMOMKA-IRXDYDNUSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141600 1375166881 /nfs/dbraw/zinc/16/68/81/1375166881.db2.gz SMDJKKBNAMOMKA-IRXDYDNUSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141600 1375166882 /nfs/dbraw/zinc/16/68/82/1375166882.db2.gz SMDJKKBNAMOMKA-IRXDYDNUSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419555 1375366343 /nfs/dbraw/zinc/36/63/43/1375366343.db2.gz DTJRLURHMHQLEG-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541557 1375450196 /nfs/dbraw/zinc/45/01/96/1375450196.db2.gz HEBDXKAJDSJIDC-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541557 1375450200 /nfs/dbraw/zinc/45/02/00/1375450200.db2.gz HEBDXKAJDSJIDC-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541557 1375450204 /nfs/dbraw/zinc/45/02/04/1375450204.db2.gz HEBDXKAJDSJIDC-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541557 1375450207 /nfs/dbraw/zinc/45/02/07/1375450207.db2.gz HEBDXKAJDSJIDC-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790560 1375565504 /nfs/dbraw/zinc/56/55/04/1375565504.db2.gz IGBITZJRWSADBO-IBGZPJMESA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228602284 1375612372 /nfs/dbraw/zinc/61/23/72/1375612372.db2.gz HCLAISNXVOUDMI-IPMKNSEASA-N 2 1 335.536 3.092 20 30 EGEDMP COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001231619834 1376283028 /nfs/dbraw/zinc/28/30/28/1376283028.db2.gz JVHXDMXBDQNOKI-OALUTQOASA-N 2 1 327.472 3.406 20 30 EGEDMP COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001231619834 1376283038 /nfs/dbraw/zinc/28/30/38/1376283038.db2.gz JVHXDMXBDQNOKI-OALUTQOASA-N 2 1 327.472 3.406 20 30 EGEDMP COc1cc(C#N)ccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001231619834 1376283056 /nfs/dbraw/zinc/28/30/56/1376283056.db2.gz JVHXDMXBDQNOKI-OALUTQOASA-N 2 1 327.472 3.406 20 30 EGEDMP COc1cc(C#N)ccc1C[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001231619834 1376283063 /nfs/dbraw/zinc/28/30/63/1376283063.db2.gz JVHXDMXBDQNOKI-OALUTQOASA-N 2 1 327.472 3.406 20 30 EGEDMP C=CC[N@H+](C[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCCCC1 ZINC001252935339 1377093595 /nfs/dbraw/zinc/09/35/95/1377093595.db2.gz ZIKTYZBHCMEKMY-OAQYLSRUSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CC[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252935339 1377093598 /nfs/dbraw/zinc/09/35/98/1377093598.db2.gz ZIKTYZBHCMEKMY-OAQYLSRUSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CC[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252935339 1377093601 /nfs/dbraw/zinc/09/36/01/1377093601.db2.gz ZIKTYZBHCMEKMY-OAQYLSRUSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CC[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252935339 1377093605 /nfs/dbraw/zinc/09/36/05/1377093605.db2.gz ZIKTYZBHCMEKMY-OAQYLSRUSA-N 2 1 328.500 3.444 20 30 EGEDMP C=CC[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC001252935339 1377093608 /nfs/dbraw/zinc/09/36/08/1377093608.db2.gz ZIKTYZBHCMEKMY-OAQYLSRUSA-N 2 1 328.500 3.444 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144169651 1378692099 /nfs/dbraw/zinc/69/20/99/1378692099.db2.gz QEXXKBFJLGAFPB-NHCUHLMSSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144169651 1378692105 /nfs/dbraw/zinc/69/21/05/1378692105.db2.gz QEXXKBFJLGAFPB-NHCUHLMSSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)nc1 ZINC001144169651 1378692110 /nfs/dbraw/zinc/69/21/10/1378692110.db2.gz QEXXKBFJLGAFPB-NHCUHLMSSA-N 2 1 346.478 3.297 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001147658314 1379056388 /nfs/dbraw/zinc/05/63/88/1379056388.db2.gz QMFPAGZSTXUVPH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658314 1379056391 /nfs/dbraw/zinc/05/63/91/1379056391.db2.gz QMFPAGZSTXUVPH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001147658314 1379056394 /nfs/dbraw/zinc/05/63/94/1379056394.db2.gz QMFPAGZSTXUVPH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148386692 1379160979 /nfs/dbraw/zinc/16/09/79/1379160979.db2.gz ZHWVZLRZBIIWPV-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386692 1379160982 /nfs/dbraw/zinc/16/09/82/1379160982.db2.gz ZHWVZLRZBIIWPV-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386692 1379160984 /nfs/dbraw/zinc/16/09/84/1379160984.db2.gz ZHWVZLRZBIIWPV-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156516991 1380587175 /nfs/dbraw/zinc/58/71/75/1380587175.db2.gz LQJNPUJXJSZKIN-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156516991 1380587176 /nfs/dbraw/zinc/58/71/76/1380587176.db2.gz LQJNPUJXJSZKIN-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156516991 1380587177 /nfs/dbraw/zinc/58/71/77/1380587177.db2.gz LQJNPUJXJSZKIN-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391049 1382395506 /nfs/dbraw/zinc/39/55/06/1382395506.db2.gz ODBWHSPUIHXSMJ-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391049 1382395513 /nfs/dbraw/zinc/39/55/13/1382395513.db2.gz ODBWHSPUIHXSMJ-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391049 1382395515 /nfs/dbraw/zinc/39/55/15/1382395515.db2.gz ODBWHSPUIHXSMJ-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444584 1382413256 /nfs/dbraw/zinc/41/32/56/1382413256.db2.gz HDBCWGHXAPASNX-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444584 1382413261 /nfs/dbraw/zinc/41/32/61/1382413261.db2.gz HDBCWGHXAPASNX-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444584 1382413265 /nfs/dbraw/zinc/41/32/65/1382413265.db2.gz HDBCWGHXAPASNX-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001161932953 1382558997 /nfs/dbraw/zinc/55/89/97/1382558997.db2.gz ZBNNSXNHKWQVBP-UHFFFAOYSA-N 2 1 341.499 3.076 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166843527 1383486388 /nfs/dbraw/zinc/48/63/88/1383486388.db2.gz VXOZKFIHSOVBMZ-OALUTQOASA-N 2 1 349.563 3.339 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344930 1383879132 /nfs/dbraw/zinc/87/91/32/1383879132.db2.gz GBIWVWWLOOCFBI-IBGZPJMESA-N 2 1 343.515 3.132 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170868872 1384402046 /nfs/dbraw/zinc/40/20/46/1384402046.db2.gz VKTKGDBBYSRZHO-HKUYNNGSSA-N 2 1 331.504 3.130 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170877396 1384403512 /nfs/dbraw/zinc/40/35/12/1384403512.db2.gz DBSQPDIAQGYLMQ-IRXDYDNUSA-N 2 1 334.508 3.237 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170878033 1384403588 /nfs/dbraw/zinc/40/35/88/1384403588.db2.gz JWULFSHQVAHGOD-SJORKVTESA-N 2 1 334.508 3.237 20 30 EGEDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171183008 1384462730 /nfs/dbraw/zinc/46/27/30/1384462730.db2.gz AIISMBUOEBCYPA-QGZVFWFLSA-N 2 1 334.467 3.451 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171917733 1384681187 /nfs/dbraw/zinc/68/11/87/1384681187.db2.gz FCIOHZAGWDBIPP-GOSISDBHSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCO2 ZINC001172114416 1384730582 /nfs/dbraw/zinc/73/05/82/1384730582.db2.gz BXGZWMXBSKIURK-WRTQPQOASA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCO2 ZINC001172114416 1384730586 /nfs/dbraw/zinc/73/05/86/1384730586.db2.gz BXGZWMXBSKIURK-WRTQPQOASA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC1CCC(n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)CC1 ZINC001173322396 1384958836 /nfs/dbraw/zinc/95/88/36/1384958836.db2.gz DBCWXMCGPGKTFU-UHFFFAOYSA-N 2 1 346.519 3.055 20 30 EGEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880040 1385163750 /nfs/dbraw/zinc/16/37/50/1385163750.db2.gz BZBGDBKQLJKUFM-HKUYNNGSSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001177342401 1385921614 /nfs/dbraw/zinc/92/16/14/1385921614.db2.gz MNBBATPQDQLKEN-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345303 1385922553 /nfs/dbraw/zinc/92/25/53/1385922553.db2.gz ZWVXACKTKMSHIX-UHFFFAOYSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177416130 1385949679 /nfs/dbraw/zinc/94/96/79/1385949679.db2.gz VGJIYLUXRCINNW-QUCCMNQESA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468888 1386227153 /nfs/dbraw/zinc/22/71/53/1386227153.db2.gz YISGDIKCEONIDG-RTBURBONSA-N 2 1 337.552 3.480 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483906 1386231799 /nfs/dbraw/zinc/23/17/99/1386231799.db2.gz JZQGLVAZGWKMBB-RBUKOAKNSA-N 2 1 335.536 3.093 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179398363 1386474636 /nfs/dbraw/zinc/47/46/36/1386474636.db2.gz GWRJBWVDMOWDMM-VJANTYMQSA-N 2 1 337.552 3.266 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179746433 1386570674 /nfs/dbraw/zinc/57/06/74/1386570674.db2.gz UGPFKXHUKPGHIF-IBGZPJMESA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179746488 1386571257 /nfs/dbraw/zinc/57/12/57/1386571257.db2.gz VNWZBVIMCGKDQP-KRWDZBQOSA-N 2 1 343.943 3.268 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752538180 1440194407 /nfs/dbraw/zinc/19/44/07/1440194407.db2.gz FDURBYGZNITUGB-ZRNYENFQSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001752538180 1440194408 /nfs/dbraw/zinc/19/44/08/1440194408.db2.gz FDURBYGZNITUGB-ZRNYENFQSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001752538180 1440194409 /nfs/dbraw/zinc/19/44/09/1440194409.db2.gz FDURBYGZNITUGB-ZRNYENFQSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001753000026 1440264241 /nfs/dbraw/zinc/26/42/41/1440264241.db2.gz MEZBIBRJPVPXDS-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001753000026 1440264242 /nfs/dbraw/zinc/26/42/42/1440264242.db2.gz MEZBIBRJPVPXDS-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753000026 1440264243 /nfs/dbraw/zinc/26/42/43/1440264243.db2.gz MEZBIBRJPVPXDS-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753000026 1440264244 /nfs/dbraw/zinc/26/42/44/1440264244.db2.gz MEZBIBRJPVPXDS-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001753427318 1440397330 /nfs/dbraw/zinc/39/73/30/1440397330.db2.gz HIYHSFSGMRBTDN-VDGAXYAQSA-N 2 1 341.499 3.002 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753440954 1440401629 /nfs/dbraw/zinc/40/16/29/1440401629.db2.gz ZQODEVWWVCDUTR-GOSISDBHSA-N 2 1 335.536 3.118 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001753877004 1440519694 /nfs/dbraw/zinc/51/96/94/1440519694.db2.gz CYIZCHDSEJLIPJ-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CCCCCC1 ZINC001754547667 1440628402 /nfs/dbraw/zinc/62/84/02/1440628402.db2.gz MKWDJNJMJHFKAH-UHFFFAOYSA-N 2 1 335.536 3.189 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001754868467 1440704145 /nfs/dbraw/zinc/70/41/45/1440704145.db2.gz LPCDVAQNOOWTRV-RTBURBONSA-N 2 1 344.503 3.003 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001754868467 1440704146 /nfs/dbraw/zinc/70/41/46/1440704146.db2.gz LPCDVAQNOOWTRV-RTBURBONSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034306 1440733286 /nfs/dbraw/zinc/73/32/86/1440733286.db2.gz OYQMHBAJDGZIBE-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755133095 1440757570 /nfs/dbraw/zinc/75/75/70/1440757570.db2.gz BQJDKDGJTADZKU-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001755167014 1440767593 /nfs/dbraw/zinc/76/75/93/1440767593.db2.gz JUCYKYSIFPNUCD-FXAWDEMLSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001755167015 1440767679 /nfs/dbraw/zinc/76/76/79/1440767679.db2.gz JUCYKYSIFPNUCD-PXNSSMCTSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001755211722 1440783217 /nfs/dbraw/zinc/78/32/17/1440783217.db2.gz UVIBHVQQNCQCSY-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001755211722 1440783218 /nfs/dbraw/zinc/78/32/18/1440783218.db2.gz UVIBHVQQNCQCSY-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001755211722 1440783219 /nfs/dbraw/zinc/78/32/19/1440783219.db2.gz UVIBHVQQNCQCSY-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001755869591 1440938792 /nfs/dbraw/zinc/93/87/92/1440938792.db2.gz KXQUTNNHVBHNSP-HDICACEKSA-N 2 1 347.547 3.186 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285524259 267211413 /nfs/dbraw/zinc/21/14/13/267211413.db2.gz FBWCVIUCLYAKGO-SFHVURJKSA-N 2 1 340.515 3.381 20 30 EGEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174275064 455375757 /nfs/dbraw/zinc/37/57/57/455375757.db2.gz UTCVBMWZSGIHLK-UHFFFAOYSA-N 2 1 342.531 3.244 20 30 EGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000092165714 454530528 /nfs/dbraw/zinc/53/05/28/454530528.db2.gz JTHVPJFJBSMBEG-UHFFFAOYSA-N 2 1 328.504 3.343 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000104176065 454576963 /nfs/dbraw/zinc/57/69/63/454576963.db2.gz YFZALAYSOOENEJ-GOSISDBHSA-N 2 1 326.444 3.033 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000106246343 454687677 /nfs/dbraw/zinc/68/76/77/454687677.db2.gz BXYVLKGBTZYOST-UHFFFAOYSA-N 2 1 326.488 3.167 20 30 EGEDMP C=CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000182242076 455469458 /nfs/dbraw/zinc/46/94/58/455469458.db2.gz XWACJGNTXVTMPZ-NHCUHLMSSA-N 2 1 328.500 3.478 20 30 EGEDMP N#Cc1c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn2ccccc12 ZINC000246948553 455538540 /nfs/dbraw/zinc/53/85/40/455538540.db2.gz UMCHJBSJFCPOMG-JXFKEZNVSA-N 2 1 334.467 3.260 20 30 EGEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000299461930 456700310 /nfs/dbraw/zinc/70/03/10/456700310.db2.gz ZMTYNRBDSUXUAR-SFHVURJKSA-N 2 1 345.487 3.199 20 30 EGEDMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000345166085 456950353 /nfs/dbraw/zinc/95/03/53/456950353.db2.gz BESLBUWMKAMGRP-UHFFFAOYSA-N 2 1 347.462 3.489 20 30 EGEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000351424541 457285746 /nfs/dbraw/zinc/28/57/46/457285746.db2.gz WJBXMVOYNHGYPZ-RTWAWAEBSA-N 2 1 328.500 3.302 20 30 EGEDMP C=CCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351424541 457285752 /nfs/dbraw/zinc/28/57/52/457285752.db2.gz WJBXMVOYNHGYPZ-RTWAWAEBSA-N 2 1 328.500 3.302 20 30 EGEDMP C=CCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351424541 457285755 /nfs/dbraw/zinc/28/57/55/457285755.db2.gz WJBXMVOYNHGYPZ-RTWAWAEBSA-N 2 1 328.500 3.302 20 30 EGEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000420982463 458406230 /nfs/dbraw/zinc/40/62/30/458406230.db2.gz OTRANRZRSXKQTO-SFHVURJKSA-N 2 1 340.515 3.111 20 30 EGEDMP COC1CC[NH+](C2(C[NH2+]C3CCC(C)(C#N)CC3)CCCC2)CC1 ZINC000449152495 458420301 /nfs/dbraw/zinc/42/03/01/458420301.db2.gz GANMIEYHDMISJG-UHFFFAOYSA-N 2 1 333.520 3.472 20 30 EGEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000437585276 458469859 /nfs/dbraw/zinc/46/98/59/458469859.db2.gz ZYTLTQLNRGBDKN-IBGZPJMESA-N 2 1 334.891 3.124 20 30 EGEDMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000515108332 458805659 /nfs/dbraw/zinc/80/56/59/458805659.db2.gz XIDVOKHAXYCRMJ-CTNGQTDRSA-N 2 1 341.499 3.008 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000481173815 459237820 /nfs/dbraw/zinc/23/78/20/459237820.db2.gz GXUSOWIUPQJHLX-GCJKJVERSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000481173815 459237825 /nfs/dbraw/zinc/23/78/25/459237825.db2.gz GXUSOWIUPQJHLX-GCJKJVERSA-N 2 1 349.478 3.437 20 30 EGEDMP C=CCC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000533498495 459243465 /nfs/dbraw/zinc/24/34/65/459243465.db2.gz NRXIGWPFCMHXNB-QZTJIDSGSA-N 2 1 333.545 3.371 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000591570873 459403967 /nfs/dbraw/zinc/40/39/67/459403967.db2.gz YIERTWMZMMBPAG-UYAOXDASSA-N 2 1 337.398 3.043 20 30 EGEDMP COc1ccc([C@@H]([NH2+]CC2CCC(C#N)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000574391356 459812530 /nfs/dbraw/zinc/81/25/30/459812530.db2.gz XXHGBQUCNMUJOO-YEYPGUGLSA-N 2 1 327.472 3.408 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593688 459957169 /nfs/dbraw/zinc/95/71/69/459957169.db2.gz VUVGBWNOCAUYJV-MJGOQNOKSA-N 2 1 335.536 3.264 20 30 EGEDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598721546 460006599 /nfs/dbraw/zinc/00/65/99/460006599.db2.gz VJLQNVOGWGVXPB-LPHOPBHVSA-N 2 1 329.488 3.102 20 30 EGEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000602611156 460020782 /nfs/dbraw/zinc/02/07/82/460020782.db2.gz WQHTYHLRMZZKSQ-STZQEDGTSA-N 2 1 346.478 3.344 20 30 EGEDMP N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000602611156 460020785 /nfs/dbraw/zinc/02/07/85/460020785.db2.gz WQHTYHLRMZZKSQ-STZQEDGTSA-N 2 1 346.478 3.344 20 30 EGEDMP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655777114 461439408 /nfs/dbraw/zinc/43/94/08/461439408.db2.gz RLOXUCCFUXONHI-SFTDATJTSA-N 2 1 328.500 3.407 20 30 EGEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000657969049 462332112 /nfs/dbraw/zinc/33/21/12/462332112.db2.gz IMKPJTOXKPYGSJ-JRGCBEDISA-N 2 1 328.500 3.478 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000262774224 1296647677 /nfs/dbraw/zinc/64/76/77/1296647677.db2.gz LOBULQLWALWZPS-CQSZACIVSA-N 2 1 336.867 3.092 20 30 EGEDMP COc1cccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000303784474 1296855016 /nfs/dbraw/zinc/85/50/16/1296855016.db2.gz PDDBKEWMSOYGHY-MRXNPFEDSA-N 2 1 344.484 3.320 20 30 EGEDMP CCc1ccc(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000303902790 1296877942 /nfs/dbraw/zinc/87/79/42/1296877942.db2.gz UCCXANCJBSAUNZ-UHFFFAOYSA-N 2 1 336.483 3.424 20 30 EGEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)NC1CCCCCC1 ZINC000305738527 1297039909 /nfs/dbraw/zinc/03/99/09/1297039909.db2.gz ABRUSOQLWDKXJR-UHFFFAOYSA-N 2 1 328.504 3.062 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513735 1298240288 /nfs/dbraw/zinc/24/02/88/1298240288.db2.gz PEQAOCLLSYRKAQ-QAPCUYQASA-N 2 1 325.481 3.477 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513735 1298240300 /nfs/dbraw/zinc/24/03/00/1298240300.db2.gz PEQAOCLLSYRKAQ-QAPCUYQASA-N 2 1 325.481 3.477 20 30 EGEDMP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000877060670 1299139065 /nfs/dbraw/zinc/13/90/65/1299139065.db2.gz NDSCWXFLPBDKEX-SFTDATJTSA-N 2 1 328.500 3.043 20 30 EGEDMP C#CCCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000877060670 1299139068 /nfs/dbraw/zinc/13/90/68/1299139068.db2.gz NDSCWXFLPBDKEX-SFTDATJTSA-N 2 1 328.500 3.043 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769516988 1303133418 /nfs/dbraw/zinc/13/34/18/1303133418.db2.gz XUTGYLTZMQXZEN-APWZRJJASA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769516988 1303133424 /nfs/dbraw/zinc/13/34/24/1303133424.db2.gz XUTGYLTZMQXZEN-APWZRJJASA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769516988 1303133428 /nfs/dbraw/zinc/13/34/28/1303133428.db2.gz XUTGYLTZMQXZEN-APWZRJJASA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000769516988 1303133432 /nfs/dbraw/zinc/13/34/32/1303133432.db2.gz XUTGYLTZMQXZEN-APWZRJJASA-N 2 1 327.472 3.141 20 30 EGEDMP Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(N(C)C)[nH+]1 ZINC000777273624 1304278481 /nfs/dbraw/zinc/27/84/81/1304278481.db2.gz DCRJZWQMAQOLJC-UHFFFAOYSA-N 2 1 349.482 3.404 20 30 EGEDMP C#CC[N@@H+](Cc1ccccc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809717368 1317874173 /nfs/dbraw/zinc/87/41/73/1317874173.db2.gz GQOIJWTYTGLXHR-UHFFFAOYSA-N 2 1 333.479 3.074 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000815652244 1319036753 /nfs/dbraw/zinc/03/67/53/1319036753.db2.gz UZSVAOAJVJHGMU-CYBMUJFWSA-N 2 1 341.268 3.064 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000815652244 1319036760 /nfs/dbraw/zinc/03/67/60/1319036760.db2.gz UZSVAOAJVJHGMU-CYBMUJFWSA-N 2 1 341.268 3.064 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696468 1319819006 /nfs/dbraw/zinc/81/90/06/1319819006.db2.gz NUQALFUYULWQKH-UXHICEINSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696468 1319819010 /nfs/dbraw/zinc/81/90/10/1319819010.db2.gz NUQALFUYULWQKH-UXHICEINSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696468 1319819020 /nfs/dbraw/zinc/81/90/20/1319819020.db2.gz NUQALFUYULWQKH-UXHICEINSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCC[NH+]=C(NCCCn1cc[nH+]c1C)NCc1ccc(C)cc1 ZINC000848988537 1322056795 /nfs/dbraw/zinc/05/67/95/1322056795.db2.gz LWVBSPQCUAKVSS-UHFFFAOYSA-N 2 1 341.503 3.426 20 30 EGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000924776338 1323157387 /nfs/dbraw/zinc/15/73/87/1323157387.db2.gz LMQQXSTUTBQUBB-DLBZAZTESA-N 2 1 329.488 3.325 20 30 EGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000924776338 1323157391 /nfs/dbraw/zinc/15/73/91/1323157391.db2.gz LMQQXSTUTBQUBB-DLBZAZTESA-N 2 1 329.488 3.325 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239634 1324032221 /nfs/dbraw/zinc/03/22/21/1324032221.db2.gz HAQRWVKRPUTVON-RBUKOAKNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431682 1324268991 /nfs/dbraw/zinc/26/89/91/1324268991.db2.gz BOORYVLPLHXERK-CVEARBPZSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453280 1324295452 /nfs/dbraw/zinc/29/54/52/1324295452.db2.gz PMGYPMXDAZPNCG-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027615119 1327978569 /nfs/dbraw/zinc/97/85/69/1327978569.db2.gz NUEHZUSLWSHOGI-GOSISDBHSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027615119 1327978573 /nfs/dbraw/zinc/97/85/73/1327978573.db2.gz NUEHZUSLWSHOGI-GOSISDBHSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947309563 1333083893 /nfs/dbraw/zinc/08/38/93/1333083893.db2.gz FMAMCBHKJRYHRM-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948065148 1333360980 /nfs/dbraw/zinc/36/09/80/1333360980.db2.gz HTKYGVYQWCKUKN-MJGOQNOKSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364179 1333495114 /nfs/dbraw/zinc/49/51/14/1333495114.db2.gz CEOWRQLPCMAARS-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364179 1333495115 /nfs/dbraw/zinc/49/51/15/1333495115.db2.gz CEOWRQLPCMAARS-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364179 1333495117 /nfs/dbraw/zinc/49/51/17/1333495117.db2.gz CEOWRQLPCMAARS-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948438844 1333524987 /nfs/dbraw/zinc/52/49/87/1333524987.db2.gz AMKFOIXQCMSMEC-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948438844 1333524990 /nfs/dbraw/zinc/52/49/90/1333524990.db2.gz AMKFOIXQCMSMEC-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948438844 1333524992 /nfs/dbraw/zinc/52/49/92/1333524992.db2.gz AMKFOIXQCMSMEC-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948438841 1333525134 /nfs/dbraw/zinc/52/51/34/1333525134.db2.gz AMKFOIXQCMSMEC-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948438841 1333525136 /nfs/dbraw/zinc/52/51/36/1333525136.db2.gz AMKFOIXQCMSMEC-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948438841 1333525137 /nfs/dbraw/zinc/52/51/37/1333525137.db2.gz AMKFOIXQCMSMEC-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439397 1333525343 /nfs/dbraw/zinc/52/53/43/1333525343.db2.gz OROAAHKNYAJALY-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439397 1333525347 /nfs/dbraw/zinc/52/53/47/1333525347.db2.gz OROAAHKNYAJALY-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439397 1333525352 /nfs/dbraw/zinc/52/53/52/1333525352.db2.gz OROAAHKNYAJALY-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416772 1335924402 /nfs/dbraw/zinc/92/44/02/1335924402.db2.gz AXWPVRXHHLGIKS-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969059307 1336133211 /nfs/dbraw/zinc/13/32/11/1336133211.db2.gz INGQJFDLHAYKJA-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059307 1336133213 /nfs/dbraw/zinc/13/32/13/1336133213.db2.gz INGQJFDLHAYKJA-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969059307 1336133214 /nfs/dbraw/zinc/13/32/14/1336133214.db2.gz INGQJFDLHAYKJA-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000969108466 1336146709 /nfs/dbraw/zinc/14/67/09/1336146709.db2.gz CEBDNFVEBFCWEX-FQEVSTJZSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791554 1338728550 /nfs/dbraw/zinc/72/85/50/1338728550.db2.gz TYALPWTZXDWOFQ-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035244419 1343066189 /nfs/dbraw/zinc/06/61/89/1343066189.db2.gz MJGLFJYBCYAVBY-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)CC2 ZINC001035244419 1343066191 /nfs/dbraw/zinc/06/61/91/1343066191.db2.gz MJGLFJYBCYAVBY-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)CC2 ZINC001035244419 1343066192 /nfs/dbraw/zinc/06/61/92/1343066192.db2.gz MJGLFJYBCYAVBY-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720022 1343151230 /nfs/dbraw/zinc/15/12/30/1343151230.db2.gz FPPREGLQYCKDMV-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755127 1343676739 /nfs/dbraw/zinc/67/67/39/1343676739.db2.gz RMGRQEHIFNQJLT-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755127 1343676742 /nfs/dbraw/zinc/67/67/42/1343676742.db2.gz RMGRQEHIFNQJLT-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755127 1343676743 /nfs/dbraw/zinc/67/67/43/1343676743.db2.gz RMGRQEHIFNQJLT-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447593 1345072465 /nfs/dbraw/zinc/07/24/65/1345072465.db2.gz UAUZJCNMELLXIQ-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447593 1345072468 /nfs/dbraw/zinc/07/24/68/1345072468.db2.gz UAUZJCNMELLXIQ-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039458212 1345077993 /nfs/dbraw/zinc/07/79/93/1345077993.db2.gz JXDHSEDSUPEZBX-AABGKKOBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039458212 1345077997 /nfs/dbraw/zinc/07/79/97/1345077997.db2.gz JXDHSEDSUPEZBX-AABGKKOBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039458212 1345077999 /nfs/dbraw/zinc/07/79/99/1345077999.db2.gz JXDHSEDSUPEZBX-AABGKKOBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040431414 1345494602 /nfs/dbraw/zinc/49/46/02/1345494602.db2.gz IBBSFSJCDVEOLY-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431414 1345494604 /nfs/dbraw/zinc/49/46/04/1345494604.db2.gz IBBSFSJCDVEOLY-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431414 1345494606 /nfs/dbraw/zinc/49/46/06/1345494606.db2.gz IBBSFSJCDVEOLY-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041780650 1345847607 /nfs/dbraw/zinc/84/76/07/1345847607.db2.gz CLVCADXZADHHRC-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041780650 1345847611 /nfs/dbraw/zinc/84/76/11/1345847611.db2.gz CLVCADXZADHHRC-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041780650 1345847613 /nfs/dbraw/zinc/84/76/13/1345847613.db2.gz CLVCADXZADHHRC-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063379 1345933484 /nfs/dbraw/zinc/93/34/84/1345933484.db2.gz VTQDVCDNKUVRMZ-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985941 1346826645 /nfs/dbraw/zinc/82/66/45/1346826645.db2.gz FKZSECBDCSEETC-OAQYLSRUSA-N 2 1 347.547 3.143 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049765845 1348009578 /nfs/dbraw/zinc/00/95/78/1348009578.db2.gz IGUPLQHGABPSAG-VAMGGRTRSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049765845 1348009581 /nfs/dbraw/zinc/00/95/81/1348009581.db2.gz IGUPLQHGABPSAG-VAMGGRTRSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049765845 1348009582 /nfs/dbraw/zinc/00/95/82/1348009582.db2.gz IGUPLQHGABPSAG-VAMGGRTRSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786067 1348021133 /nfs/dbraw/zinc/02/11/33/1348021133.db2.gz ACDKEONXXJMBFQ-WOJBJXKFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052860011 1348705891 /nfs/dbraw/zinc/70/58/91/1348705891.db2.gz PIAADVLFIPATIH-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860011 1348705893 /nfs/dbraw/zinc/70/58/93/1348705893.db2.gz PIAADVLFIPATIH-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860011 1348705895 /nfs/dbraw/zinc/70/58/95/1348705895.db2.gz PIAADVLFIPATIH-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183255712 1387286673 /nfs/dbraw/zinc/28/66/73/1387286673.db2.gz NNGQURZWVXPJOP-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927550 1359252541 /nfs/dbraw/zinc/25/25/41/1359252541.db2.gz FPZIEOXCHAGZSD-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573011 1359538167 /nfs/dbraw/zinc/53/81/67/1359538167.db2.gz PJLJXXNQMASPPG-YZGWKJHDSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573011 1359538168 /nfs/dbraw/zinc/53/81/68/1359538168.db2.gz PJLJXXNQMASPPG-YZGWKJHDSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573011 1359538170 /nfs/dbraw/zinc/53/81/70/1359538170.db2.gz PJLJXXNQMASPPG-YZGWKJHDSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839245 1359674086 /nfs/dbraw/zinc/67/40/86/1359674086.db2.gz QYFICHWQFPFHDJ-ZWKOTPCHSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839245 1359674090 /nfs/dbraw/zinc/67/40/90/1359674090.db2.gz QYFICHWQFPFHDJ-ZWKOTPCHSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001088395024 1359871065 /nfs/dbraw/zinc/87/10/65/1359871065.db2.gz VCLCHVGVDWAYCQ-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382563 1360384253 /nfs/dbraw/zinc/38/42/53/1360384253.db2.gz UDKIDRLUDYYDGA-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382563 1360384256 /nfs/dbraw/zinc/38/42/56/1360384256.db2.gz UDKIDRLUDYYDGA-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382563 1360384258 /nfs/dbraw/zinc/38/42/58/1360384258.db2.gz UDKIDRLUDYYDGA-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089384252 1360386017 /nfs/dbraw/zinc/38/60/17/1360386017.db2.gz BMZVTRNFZOMPTD-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400604 1360400186 /nfs/dbraw/zinc/40/01/86/1360400186.db2.gz JWRGFERJBCWFFY-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400604 1360400188 /nfs/dbraw/zinc/40/01/88/1360400188.db2.gz JWRGFERJBCWFFY-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400604 1360400189 /nfs/dbraw/zinc/40/01/89/1360400189.db2.gz JWRGFERJBCWFFY-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089405425 1360403863 /nfs/dbraw/zinc/40/38/63/1360403863.db2.gz BTTFWXMBJGBMIN-PKOBYXMFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089405425 1360403865 /nfs/dbraw/zinc/40/38/65/1360403865.db2.gz BTTFWXMBJGBMIN-PKOBYXMFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089405425 1360403866 /nfs/dbraw/zinc/40/38/66/1360403866.db2.gz BTTFWXMBJGBMIN-PKOBYXMFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534715 1360494616 /nfs/dbraw/zinc/49/46/16/1360494616.db2.gz UZKDXZOZYDLUDS-LJQANCHMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089648529 1360561934 /nfs/dbraw/zinc/56/19/34/1360561934.db2.gz LYPHJZMGKVBNAP-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089648529 1360561936 /nfs/dbraw/zinc/56/19/36/1360561936.db2.gz LYPHJZMGKVBNAP-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089648529 1360561939 /nfs/dbraw/zinc/56/19/39/1360561939.db2.gz LYPHJZMGKVBNAP-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089650139 1360563354 /nfs/dbraw/zinc/56/33/54/1360563354.db2.gz VQAPFPDPXPHRKW-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089650139 1360563359 /nfs/dbraw/zinc/56/33/59/1360563359.db2.gz VQAPFPDPXPHRKW-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089650139 1360563360 /nfs/dbraw/zinc/56/33/60/1360563360.db2.gz VQAPFPDPXPHRKW-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184578894 1387497549 /nfs/dbraw/zinc/49/75/49/1387497549.db2.gz ZXFDYCISTZIEQW-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184681985 1387507525 /nfs/dbraw/zinc/50/75/25/1387507525.db2.gz AMSVPJKYRFLTCP-MSOLQXFVSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163842 1362871637 /nfs/dbraw/zinc/87/16/37/1362871637.db2.gz QDPNOTBIFZZWGS-ZACQAIPSSA-N 2 1 347.528 3.111 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001097163842 1362871641 /nfs/dbraw/zinc/87/16/41/1362871641.db2.gz QDPNOTBIFZZWGS-ZACQAIPSSA-N 2 1 347.528 3.111 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106525 1363625367 /nfs/dbraw/zinc/62/53/67/1363625367.db2.gz IFTDBIOHZVIRNN-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106525 1363625369 /nfs/dbraw/zinc/62/53/69/1363625369.db2.gz IFTDBIOHZVIRNN-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106525 1363625374 /nfs/dbraw/zinc/62/53/74/1363625374.db2.gz IFTDBIOHZVIRNN-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100407600 1364104549 /nfs/dbraw/zinc/10/45/49/1364104549.db2.gz BTMYEJLQRCCDEU-ABHNRTSZSA-N 2 1 346.519 3.215 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001101546478 1364610276 /nfs/dbraw/zinc/61/02/76/1364610276.db2.gz CQBBEVFYQYHOTP-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001101547842 1364611808 /nfs/dbraw/zinc/61/18/08/1364611808.db2.gz RKQNTQOOZFUCTL-GOSISDBHSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588391 1364639242 /nfs/dbraw/zinc/63/92/42/1364639242.db2.gz KDICDSTZQWNPMP-UHFFFAOYSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102190868 1364924434 /nfs/dbraw/zinc/92/44/34/1364924434.db2.gz KNMCTMRCIWEBTP-GUDVDZBRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001102504591 1365090599 /nfs/dbraw/zinc/09/05/99/1365090599.db2.gz UZHIMFAOKXERAN-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001102504591 1365090605 /nfs/dbraw/zinc/09/06/05/1365090605.db2.gz UZHIMFAOKXERAN-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001102504591 1365090610 /nfs/dbraw/zinc/09/06/10/1365090610.db2.gz UZHIMFAOKXERAN-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103156394 1365413552 /nfs/dbraw/zinc/41/35/52/1365413552.db2.gz BBMHMQPUOVMQLZ-FGTMMUONSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156394 1365413553 /nfs/dbraw/zinc/41/35/53/1365413553.db2.gz BBMHMQPUOVMQLZ-FGTMMUONSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156394 1365413554 /nfs/dbraw/zinc/41/35/54/1365413554.db2.gz BBMHMQPUOVMQLZ-FGTMMUONSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001103631293 1365690397 /nfs/dbraw/zinc/69/03/97/1365690397.db2.gz GTMRTHSEMYECEZ-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001103631293 1365690407 /nfs/dbraw/zinc/69/04/07/1365690407.db2.gz GTMRTHSEMYECEZ-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001103631293 1365690409 /nfs/dbraw/zinc/69/04/09/1365690409.db2.gz GTMRTHSEMYECEZ-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755422 1365766345 /nfs/dbraw/zinc/76/63/45/1365766345.db2.gz GORAVSGFSRHERG-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104580179 1366085066 /nfs/dbraw/zinc/08/50/66/1366085066.db2.gz VEBXUKVSSZLWTI-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104874019 1366206093 /nfs/dbraw/zinc/20/60/93/1366206093.db2.gz KWFGSJZWKNHSQG-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105537559 1366517223 /nfs/dbraw/zinc/51/72/23/1366517223.db2.gz TZNJRWFCPQUTAB-RBUKOAKNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577538 1366541403 /nfs/dbraw/zinc/54/14/03/1366541403.db2.gz WYDHNDUCJCCRAR-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106321865 1366653112 /nfs/dbraw/zinc/65/31/12/1366653112.db2.gz GHBYPDSJACMHRM-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665076 1366768686 /nfs/dbraw/zinc/76/86/86/1366768686.db2.gz HACFKAYGPMJUDX-CEXWTWQISA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289914 1367040665 /nfs/dbraw/zinc/04/06/65/1367040665.db2.gz RIUHMBKZNXEALP-YRXWBPOGSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107581937 1367056073 /nfs/dbraw/zinc/05/60/73/1367056073.db2.gz QOLCEFKTGVFBOO-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581937 1367056078 /nfs/dbraw/zinc/05/60/78/1367056078.db2.gz QOLCEFKTGVFBOO-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581937 1367056082 /nfs/dbraw/zinc/05/60/82/1367056082.db2.gz QOLCEFKTGVFBOO-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190083365 1367169119 /nfs/dbraw/zinc/16/91/19/1367169119.db2.gz ANSMJOMWKWHHAZ-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190083365 1367169124 /nfs/dbraw/zinc/16/91/24/1367169124.db2.gz ANSMJOMWKWHHAZ-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190083365 1367169130 /nfs/dbraw/zinc/16/91/30/1367169130.db2.gz ANSMJOMWKWHHAZ-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190173775 1367190260 /nfs/dbraw/zinc/19/02/60/1367190260.db2.gz AITVCQCYPMGJEX-MSOLQXFVSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190173777 1367190819 /nfs/dbraw/zinc/19/08/19/1367190819.db2.gz AITVCQCYPMGJEX-QZTJIDSGSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646244 1367261750 /nfs/dbraw/zinc/26/17/50/1367261750.db2.gz OQDDJSHLCVHKEH-RANZSIQMSA-N 2 1 345.487 3.031 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646244 1367261755 /nfs/dbraw/zinc/26/17/55/1367261755.db2.gz OQDDJSHLCVHKEH-RANZSIQMSA-N 2 1 345.487 3.031 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162963 1367437098 /nfs/dbraw/zinc/43/70/98/1367437098.db2.gz RXBYPHGUDHMENU-GOSISDBHSA-N 2 1 342.487 3.451 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542244 1367524330 /nfs/dbraw/zinc/52/43/30/1367524330.db2.gz FPENVLPJFJKMRG-VQTJNVASSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976735 1368131804 /nfs/dbraw/zinc/13/18/04/1368131804.db2.gz VDUNPKJPFVPVCU-QRVBRYPASA-N 2 1 335.536 3.020 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078044 1368153130 /nfs/dbraw/zinc/15/31/30/1368153130.db2.gz HEEJQSZZJUMWNG-TVFCKZIOSA-N 2 1 344.503 3.083 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078044 1368153134 /nfs/dbraw/zinc/15/31/34/1368153134.db2.gz HEEJQSZZJUMWNG-TVFCKZIOSA-N 2 1 344.503 3.083 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871931 1368518949 /nfs/dbraw/zinc/51/89/49/1368518949.db2.gz SAXCVYKNELTDHI-WFXMLNOXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871931 1368518951 /nfs/dbraw/zinc/51/89/51/1368518951.db2.gz SAXCVYKNELTDHI-WFXMLNOXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871931 1368518955 /nfs/dbraw/zinc/51/89/55/1368518955.db2.gz SAXCVYKNELTDHI-WFXMLNOXSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163229 1368560450 /nfs/dbraw/zinc/56/04/50/1368560450.db2.gz JIASCTHBSJCRBR-SFHVURJKSA-N 2 1 346.519 3.265 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163229 1368560453 /nfs/dbraw/zinc/56/04/53/1368560453.db2.gz JIASCTHBSJCRBR-SFHVURJKSA-N 2 1 346.519 3.265 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196200597 1368567307 /nfs/dbraw/zinc/56/73/07/1368567307.db2.gz MRRNANYLRICSBG-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196200597 1368567309 /nfs/dbraw/zinc/56/73/09/1368567309.db2.gz MRRNANYLRICSBG-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196200597 1368567312 /nfs/dbraw/zinc/56/73/12/1368567312.db2.gz MRRNANYLRICSBG-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001112440835 1368855263 /nfs/dbraw/zinc/85/52/63/1368855263.db2.gz DXQYZQZWYSLHCY-UWJYYQICSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197793747 1368897824 /nfs/dbraw/zinc/89/78/24/1368897824.db2.gz AGLMDDVJELFHGH-UHFFFAOYSA-N 2 1 337.552 3.389 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567362 1368930944 /nfs/dbraw/zinc/93/09/44/1368930944.db2.gz KUHSLQQEAXTAJZ-DYXWJJEUSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136193 1368966398 /nfs/dbraw/zinc/96/63/98/1368966398.db2.gz JSJVKURMGGNYIE-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001186605639 1387985003 /nfs/dbraw/zinc/98/50/03/1387985003.db2.gz RPTQTPRXQXQIPV-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001186606045 1387985418 /nfs/dbraw/zinc/98/54/18/1387985418.db2.gz ZXPXDHGRLJPYBH-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)CC1 ZINC001186606045 1387985422 /nfs/dbraw/zinc/98/54/22/1387985422.db2.gz ZXPXDHGRLJPYBH-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)CC1 ZINC001186606045 1387985424 /nfs/dbraw/zinc/98/54/24/1387985424.db2.gz ZXPXDHGRLJPYBH-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529058 1369479920 /nfs/dbraw/zinc/47/99/20/1369479920.db2.gz BUOXKCLCXVFFOA-QUCCMNQESA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529058 1369479923 /nfs/dbraw/zinc/47/99/23/1369479923.db2.gz BUOXKCLCXVFFOA-QUCCMNQESA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400768 1369536825 /nfs/dbraw/zinc/53/68/25/1369536825.db2.gz UMKXIISBVFBKHQ-HKUYNNGSSA-N 2 1 335.536 3.042 20 30 EGEDMP CCCCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001201847692 1369634092 /nfs/dbraw/zinc/63/40/92/1369634092.db2.gz ZLILEKKSYSOJSC-AABGKKOBSA-N 2 1 347.551 3.423 20 30 EGEDMP CCCCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001201847692 1369634099 /nfs/dbraw/zinc/63/40/99/1369634099.db2.gz ZLILEKKSYSOJSC-AABGKKOBSA-N 2 1 347.551 3.423 20 30 EGEDMP CCCCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001201847692 1369634107 /nfs/dbraw/zinc/63/41/07/1369634107.db2.gz ZLILEKKSYSOJSC-AABGKKOBSA-N 2 1 347.551 3.423 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203102321 1369983882 /nfs/dbraw/zinc/98/38/82/1369983882.db2.gz HYGMTLYLGOYGBL-ZWKOTPCHSA-N 2 1 347.547 3.233 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114828791 1370101619 /nfs/dbraw/zinc/10/16/19/1370101619.db2.gz KELVQVZGGQXZCL-HCXYKTFWSA-N 2 1 337.552 3.124 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538506 1370535552 /nfs/dbraw/zinc/53/55/52/1370535552.db2.gz LIOPLLKSZJQOHP-GOSISDBHSA-N 2 1 347.547 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692227 1370673844 /nfs/dbraw/zinc/67/38/44/1370673844.db2.gz KZDGVQUKWANXFX-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205585622 1370800973 /nfs/dbraw/zinc/80/09/73/1370800973.db2.gz JBONOVPOLGSAIG-UHFFFAOYSA-N 2 1 335.536 3.044 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC[C@@H]1C[NH3+] ZINC001205639107 1370822587 /nfs/dbraw/zinc/82/25/87/1370822587.db2.gz VWFAPQNRDXUMMY-TZMCWYRMSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003747 1370935545 /nfs/dbraw/zinc/93/55/45/1370935545.db2.gz MEJPCWKSZYESAT-OXJNMPFZSA-N 2 1 334.467 3.427 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003748 1370935677 /nfs/dbraw/zinc/93/56/77/1370935677.db2.gz MEJPCWKSZYESAT-OXQOHEQNSA-N 2 1 334.467 3.427 20 30 EGEDMP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001206269337 1371008845 /nfs/dbraw/zinc/00/88/45/1371008845.db2.gz KJKOFWBHWWMPKX-QGZVFWFLSA-N 2 1 334.467 3.367 20 30 EGEDMP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001206269337 1371008850 /nfs/dbraw/zinc/00/88/50/1371008850.db2.gz KJKOFWBHWWMPKX-QGZVFWFLSA-N 2 1 334.467 3.367 20 30 EGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC001206311205 1371018032 /nfs/dbraw/zinc/01/80/32/1371018032.db2.gz LAUCYLJHIKEHCM-MRXNPFEDSA-N 2 1 336.277 3.272 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206445016 1371057001 /nfs/dbraw/zinc/05/70/01/1371057001.db2.gz JQMXJJGDTVYGTJ-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952369 1371242974 /nfs/dbraw/zinc/24/29/74/1371242974.db2.gz LWZHGSHQJODEFV-MJGOQNOKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CCCCC1 ZINC001119990433 1371445443 /nfs/dbraw/zinc/44/54/43/1371445443.db2.gz YTCWIWIQWHYDEW-SFHVURJKSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120140929 1371494331 /nfs/dbraw/zinc/49/43/31/1371494331.db2.gz PUPRSIVJPWGVRI-UHFFFAOYSA-N 2 1 346.519 3.347 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120207734 1371504180 /nfs/dbraw/zinc/50/41/80/1371504180.db2.gz CORNYKWDRCCKAG-GOSISDBHSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001120429784 1371572801 /nfs/dbraw/zinc/57/28/01/1371572801.db2.gz BDTOIRWSLXBSEP-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001120429784 1371572806 /nfs/dbraw/zinc/57/28/06/1371572806.db2.gz BDTOIRWSLXBSEP-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001120429784 1371572810 /nfs/dbraw/zinc/57/28/10/1371572810.db2.gz BDTOIRWSLXBSEP-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120467698 1371586037 /nfs/dbraw/zinc/58/60/37/1371586037.db2.gz APALINHMGRFJBO-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208363098 1371735807 /nfs/dbraw/zinc/73/58/07/1371735807.db2.gz VOPHOWYSELHOPG-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121261618 1371912499 /nfs/dbraw/zinc/91/24/99/1371912499.db2.gz YLLYKRGWDHTARW-SGPNKGFISA-N 2 1 347.547 3.233 20 30 EGEDMP N#Cc1ccc(CC[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208925778 1371947450 /nfs/dbraw/zinc/94/74/50/1371947450.db2.gz RIRMPBZKSNGGPJ-OALUTQOASA-N 2 1 337.492 3.226 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209498153 1372122024 /nfs/dbraw/zinc/12/20/24/1372122024.db2.gz FIBRXWJXGBEEHP-IEBWSBKVSA-N 2 1 348.535 3.379 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209498153 1372122027 /nfs/dbraw/zinc/12/20/27/1372122027.db2.gz FIBRXWJXGBEEHP-IEBWSBKVSA-N 2 1 348.535 3.379 20 30 EGEDMP N#Cc1c2ccccc2sc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262951 1372308257 /nfs/dbraw/zinc/30/82/57/1372308257.db2.gz OPAYQDHLGWUBMZ-UHFFFAOYSA-N 2 1 335.436 3.321 20 30 EGEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210633574 1372396307 /nfs/dbraw/zinc/39/63/07/1372396307.db2.gz FWRJIOWTQMPIIH-ZWKOTPCHSA-N 2 1 349.906 3.013 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643518 1372398939 /nfs/dbraw/zinc/39/89/39/1372398939.db2.gz JVASWDFKPBDZMD-UXHICEINSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444112 1372559802 /nfs/dbraw/zinc/55/98/02/1372559802.db2.gz PAWRTMLSTCRARX-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127357506 1373118957 /nfs/dbraw/zinc/11/89/57/1373118957.db2.gz ZSXTXVXFKQCAHP-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188362149 1388296954 /nfs/dbraw/zinc/29/69/54/1388296954.db2.gz ZGNDWHFOGHBCFX-HXUWFJFHSA-N 2 1 343.515 3.055 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188362149 1388296956 /nfs/dbraw/zinc/29/69/56/1388296956.db2.gz ZGNDWHFOGHBCFX-HXUWFJFHSA-N 2 1 343.515 3.055 20 30 EGEDMP C=C(C)CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224746312 1375073928 /nfs/dbraw/zinc/07/39/28/1375073928.db2.gz QWKZEDJQWLMACA-UHFFFAOYSA-N 2 1 346.519 3.191 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132090238 1375140313 /nfs/dbraw/zinc/14/03/13/1375140313.db2.gz FIWAXXSXDDBVTI-SJLPKXTDSA-N 2 1 334.508 3.282 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132090238 1375140314 /nfs/dbraw/zinc/14/03/14/1375140314.db2.gz FIWAXXSXDDBVTI-SJLPKXTDSA-N 2 1 334.508 3.282 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132090238 1375140317 /nfs/dbraw/zinc/14/03/17/1375140317.db2.gz FIWAXXSXDDBVTI-SJLPKXTDSA-N 2 1 334.508 3.282 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132090012 1375140371 /nfs/dbraw/zinc/14/03/71/1375140371.db2.gz BYTNMHJFGANCJK-WMZOPIPTSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132090012 1375140372 /nfs/dbraw/zinc/14/03/72/1375140372.db2.gz BYTNMHJFGANCJK-WMZOPIPTSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132090012 1375140375 /nfs/dbraw/zinc/14/03/75/1375140375.db2.gz BYTNMHJFGANCJK-WMZOPIPTSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132105631 1375149876 /nfs/dbraw/zinc/14/98/76/1375149876.db2.gz KKRYCIVZZWPQAV-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132105631 1375149879 /nfs/dbraw/zinc/14/98/79/1375149879.db2.gz KKRYCIVZZWPQAV-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132105631 1375149883 /nfs/dbraw/zinc/14/98/83/1375149883.db2.gz KKRYCIVZZWPQAV-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001227224401 1375408862 /nfs/dbraw/zinc/40/88/62/1375408862.db2.gz FQACHESHVGAFQJ-QRVBRYPASA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132492273 1375423846 /nfs/dbraw/zinc/42/38/46/1375423846.db2.gz DJOWPUJSICWWTO-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001229653417 1375872530 /nfs/dbraw/zinc/87/25/30/1375872530.db2.gz ZEDQPEZFQFAKAJ-VAMGGRTRSA-N 2 1 343.515 3.273 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133315360 1375918230 /nfs/dbraw/zinc/91/82/30/1375918230.db2.gz SLGSBLCVEKBNCG-HKUYNNGSSA-N 2 1 346.519 3.012 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023576 1376829268 /nfs/dbraw/zinc/82/92/68/1376829268.db2.gz CYQNTUQSAJZRLO-UHFFFAOYSA-N 2 1 332.451 3.121 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC3(C[NH2+]C3)C2)cc1 ZINC001235023576 1376829273 /nfs/dbraw/zinc/82/92/73/1376829273.db2.gz CYQNTUQSAJZRLO-UHFFFAOYSA-N 2 1 332.451 3.121 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601781 1377159834 /nfs/dbraw/zinc/15/98/34/1377159834.db2.gz XUZYCLQSYZUPFF-SJORKVTESA-N 2 1 334.508 3.236 20 30 EGEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001139064038 1377823990 /nfs/dbraw/zinc/82/39/90/1377823990.db2.gz KNCUCALNEKQJQX-UHFFFAOYSA-N 2 1 339.483 3.224 20 30 EGEDMP N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140805058 1378143988 /nfs/dbraw/zinc/14/39/88/1378143988.db2.gz PYCAXBCOLAKRJG-GOSISDBHSA-N 2 1 332.407 3.478 20 30 EGEDMP N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)c1 ZINC001140805058 1378143995 /nfs/dbraw/zinc/14/39/95/1378143995.db2.gz PYCAXBCOLAKRJG-GOSISDBHSA-N 2 1 332.407 3.478 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](C4CCCC4)C3)CC2)c(O)c1 ZINC001276493272 1378175511 /nfs/dbraw/zinc/17/55/11/1378175511.db2.gz HVCCVFJLXWXCBH-UHFFFAOYSA-N 2 1 325.456 3.104 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541182 1379039394 /nfs/dbraw/zinc/03/93/94/1379039394.db2.gz LFRWXVDXPIPWDD-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541182 1379039400 /nfs/dbraw/zinc/03/94/00/1379039400.db2.gz LFRWXVDXPIPWDD-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541182 1379039406 /nfs/dbraw/zinc/03/94/06/1379039406.db2.gz LFRWXVDXPIPWDD-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001148583224 1379217694 /nfs/dbraw/zinc/21/76/94/1379217694.db2.gz FTONCQUEPLXRFD-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001148583224 1379217700 /nfs/dbraw/zinc/21/77/00/1379217700.db2.gz FTONCQUEPLXRFD-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001148583224 1379217707 /nfs/dbraw/zinc/21/77/07/1379217707.db2.gz FTONCQUEPLXRFD-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085036 1380405235 /nfs/dbraw/zinc/40/52/35/1380405235.db2.gz IDWCKGODHFPWLB-QZTJIDSGSA-N 2 1 325.541 3.146 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156318532 1380557148 /nfs/dbraw/zinc/55/71/48/1380557148.db2.gz DJGQHHGBEHLKQW-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318532 1380557150 /nfs/dbraw/zinc/55/71/50/1380557150.db2.gz DJGQHHGBEHLKQW-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318532 1380557152 /nfs/dbraw/zinc/55/71/52/1380557152.db2.gz DJGQHHGBEHLKQW-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156341196 1380561511 /nfs/dbraw/zinc/56/15/11/1380561511.db2.gz AEJNNUFLVBRLJT-NQIIRXRSSA-N 2 1 345.531 3.256 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475631 1380581030 /nfs/dbraw/zinc/58/10/30/1380581030.db2.gz OOEQLPMCMIODBD-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109720 1380779095 /nfs/dbraw/zinc/77/90/95/1380779095.db2.gz SIOYSTPXPZSSDE-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109720 1380779099 /nfs/dbraw/zinc/77/90/99/1380779099.db2.gz SIOYSTPXPZSSDE-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001157109720 1380779102 /nfs/dbraw/zinc/77/91/02/1380779102.db2.gz SIOYSTPXPZSSDE-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001158283237 1381184024 /nfs/dbraw/zinc/18/40/24/1381184024.db2.gz GJUJDJMHOZDYJF-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](CC)CC ZINC001158625355 1381328652 /nfs/dbraw/zinc/32/86/52/1381328652.db2.gz PNZDQNSSSGDFMC-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406696 1382096626 /nfs/dbraw/zinc/09/66/26/1382096626.db2.gz SRBKSNFTPLRHOS-HKUYNNGSSA-N 2 1 335.536 3.066 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391051 1382395265 /nfs/dbraw/zinc/39/52/65/1382395265.db2.gz ODBWHSPUIHXSMJ-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391051 1382395271 /nfs/dbraw/zinc/39/52/71/1382395271.db2.gz ODBWHSPUIHXSMJ-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391051 1382395278 /nfs/dbraw/zinc/39/52/78/1382395278.db2.gz ODBWHSPUIHXSMJ-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465247 1382417163 /nfs/dbraw/zinc/41/71/63/1382417163.db2.gz FHTXORUNBZKTBM-UHFFFAOYSA-N 2 1 344.503 3.076 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465247 1382417165 /nfs/dbraw/zinc/41/71/65/1382417165.db2.gz FHTXORUNBZKTBM-UHFFFAOYSA-N 2 1 344.503 3.076 20 30 EGEDMP C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001161987375 1382590839 /nfs/dbraw/zinc/59/08/39/1382590839.db2.gz XTWFVQSGECZPEX-UHFFFAOYSA-N 2 1 345.487 3.059 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514372 1383195152 /nfs/dbraw/zinc/19/51/52/1383195152.db2.gz QGVOJLOHBCMDGG-ZWKOTPCHSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927230 1383366306 /nfs/dbraw/zinc/36/63/06/1383366306.db2.gz WNUVPXUVQWABHZ-MOPGFXCFSA-N 2 1 349.563 3.338 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170868875 1384401884 /nfs/dbraw/zinc/40/18/84/1384401884.db2.gz VKTKGDBBYSRZHO-PKOBYXMFSA-N 2 1 331.504 3.130 20 30 EGEDMP COc1ccc(C2([NH3+])CC[NH+]([C@H](C)Cc3cccc(C#N)c3)CC2)cc1 ZINC001171200881 1384467499 /nfs/dbraw/zinc/46/74/99/1384467499.db2.gz DIGXZTOPTYXACM-QGZVFWFLSA-N 2 1 349.478 3.448 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171248673 1384478128 /nfs/dbraw/zinc/47/81/28/1384478128.db2.gz XRJLZDSPLGBBFI-HKUYNNGSSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618451 1384581699 /nfs/dbraw/zinc/58/16/99/1384581699.db2.gz JAQHWGYNMZYRQB-KRWDZBQOSA-N 2 1 337.552 3.480 20 30 EGEDMP CC1(C)C[C@@H](NC(=[NH2+])c2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC001171970634 1384699089 /nfs/dbraw/zinc/69/90/89/1384699089.db2.gz DTFAIVKLCNIITE-KRWDZBQOSA-N 2 1 340.446 3.369 20 30 EGEDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)CCCC#N)CC2)cc1 ZINC001172487746 1384803408 /nfs/dbraw/zinc/80/34/08/1384803408.db2.gz JBYLNRDDQZZZQQ-KRWDZBQOSA-N 2 1 329.488 3.374 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174879959 1385163802 /nfs/dbraw/zinc/16/38/02/1385163802.db2.gz AQFITFSGYDGXEY-RBUKOAKNSA-N 2 1 337.552 3.339 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175574344 1385336671 /nfs/dbraw/zinc/33/66/71/1385336671.db2.gz VIJXSABLXZFRKW-RTBURBONSA-N 2 1 337.552 3.480 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565397 1385626051 /nfs/dbraw/zinc/62/60/51/1385626051.db2.gz UYEYNZZWLQQIRE-MSOLQXFVSA-N 2 1 325.541 3.173 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328498 1385915819 /nfs/dbraw/zinc/91/58/19/1385915819.db2.gz LNHWKQREDPSYOP-UYAOXDASSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177415706 1385948622 /nfs/dbraw/zinc/94/86/22/1385948622.db2.gz IWADIPPUQGYZTC-LJQANCHMSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCCOCCCCC(=O)Nc1cnccc1-n1ccnc1C ZINC001337241635 1389283626 /nfs/dbraw/zinc/28/36/26/1389283626.db2.gz ZIGXQLDBTHUBDD-UHFFFAOYSA-N 2 1 328.416 3.277 20 30 EGEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001335439788 1390684618 /nfs/dbraw/zinc/68/46/18/1390684618.db2.gz HPGICBWBEHRTCS-KRWDZBQOSA-N 2 1 341.282 3.104 20 30 EGEDMP C=C(Cl)C[N@H+](CCNC(=O)[C@@H](CC)[NH+](C)C)C1CCCCCC1 ZINC001716713938 1420868675 /nfs/dbraw/zinc/86/86/75/1420868675.db2.gz RUHPBILIRJEJBJ-QGZVFWFLSA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001724779195 1425143580 /nfs/dbraw/zinc/14/35/80/1425143580.db2.gz RCBBGCFVFCCWAS-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752524343 1440192658 /nfs/dbraw/zinc/19/26/58/1440192658.db2.gz DXOFJXUARCRSTR-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001752542833 1440194718 /nfs/dbraw/zinc/19/47/18/1440194718.db2.gz FBBYNHVEOPQSGG-BGYRXZFFSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001752543622 1440194830 /nfs/dbraw/zinc/19/48/30/1440194830.db2.gz PDISWIUOSKWJKB-BGYRXZFFSA-N 2 1 349.563 3.364 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752841755 1440231008 /nfs/dbraw/zinc/23/10/08/1440231008.db2.gz UBZHBXNJAAVULK-AZUAARDMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001753294746 1440351750 /nfs/dbraw/zinc/35/17/50/1440351750.db2.gz UKXYBXQEIKNFRP-PMACEKPBSA-N 2 1 343.515 3.227 20 30 EGEDMP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001754560426 1440633597 /nfs/dbraw/zinc/63/35/97/1440633597.db2.gz KZVLJFWWTACTNN-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001754722122 1440673717 /nfs/dbraw/zinc/67/37/17/1440673717.db2.gz MEGZXZXVRYMPBH-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754731511 1440679699 /nfs/dbraw/zinc/67/96/99/1440679699.db2.gz UDRHNJLGRMMZRJ-FQEVSTJZSA-N 2 1 346.519 3.191 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001754731511 1440679700 /nfs/dbraw/zinc/67/97/00/1440679700.db2.gz UDRHNJLGRMMZRJ-FQEVSTJZSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001755024356 1440728130 /nfs/dbraw/zinc/72/81/30/1440728130.db2.gz XIBWXLPCCPQWLR-GOSISDBHSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001755452772 1440854333 /nfs/dbraw/zinc/85/43/33/1440854333.db2.gz SZTSLBWPLIKCGP-UFYCRDLUSA-N 2 1 347.547 3.045 20 30 EGEDMP CC[C@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544297 267221687 /nfs/dbraw/zinc/22/16/87/267221687.db2.gz UDAKPKGXGCGNKI-VXKWHMMOSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544297 267221691 /nfs/dbraw/zinc/22/16/91/267221691.db2.gz UDAKPKGXGCGNKI-VXKWHMMOSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544297 267221693 /nfs/dbraw/zinc/22/16/93/267221693.db2.gz UDAKPKGXGCGNKI-VXKWHMMOSA-N 2 1 349.478 3.236 20 30 EGEDMP N#Cc1ccc(N2CCC([NH2+]CC[NH2+]C3CCCCCC3)CC2)cc1 ZINC000579822498 325163407 /nfs/dbraw/zinc/16/34/07/325163407.db2.gz WLARVFKTFUUUPU-UHFFFAOYSA-N 2 1 340.515 3.429 20 30 EGEDMP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134548789 454559270 /nfs/dbraw/zinc/55/92/70/454559270.db2.gz NGIREOMLECKRQM-CZUORRHYSA-N 2 1 340.874 3.032 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000170911250 454998324 /nfs/dbraw/zinc/99/83/24/454998324.db2.gz QZDNFHBWHQRZBQ-MRXNPFEDSA-N 2 1 337.471 3.383 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000152012542 455061703 /nfs/dbraw/zinc/06/17/03/455061703.db2.gz XCEZEMIGKVXUJI-NQIIRXRSSA-N 2 1 327.516 3.452 20 30 EGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000182248236 455471601 /nfs/dbraw/zinc/47/16/01/455471601.db2.gz YOSKIMXRQHOLSK-HTAPYJJXSA-N 2 1 349.478 3.366 20 30 EGEDMP C=CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(OC)cc1 ZINC000191457225 455487089 /nfs/dbraw/zinc/48/70/89/455487089.db2.gz MSRDVOSXGLSCMS-UHFFFAOYSA-N 2 1 345.531 3.099 20 30 EGEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CCCC1 ZINC000267398013 455549957 /nfs/dbraw/zinc/54/99/57/455549957.db2.gz FGSHYTMIFFKOEY-UHFFFAOYSA-N 2 1 340.471 3.259 20 30 EGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC1CCCC1 ZINC000267398013 455549960 /nfs/dbraw/zinc/54/99/60/455549960.db2.gz FGSHYTMIFFKOEY-UHFFFAOYSA-N 2 1 340.471 3.259 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)oc1C ZINC000192856459 455707164 /nfs/dbraw/zinc/70/71/64/455707164.db2.gz ACRSTVZSEUCYTC-QZTJIDSGSA-N 2 1 330.476 3.175 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000248801463 455731602 /nfs/dbraw/zinc/73/16/02/455731602.db2.gz JSNWOHOTYCJEJL-HRQSHJORSA-N 2 1 341.499 3.468 20 30 EGEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cc(F)ccc1F ZINC000262338478 456026459 /nfs/dbraw/zinc/02/64/59/456026459.db2.gz ZREJFLUPZIMHOU-OAHLLOKOSA-N 2 1 334.370 3.122 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290368137 456306899 /nfs/dbraw/zinc/30/68/99/456306899.db2.gz HFZYNFKEYDFNHS-FQEVSTJZSA-N 2 1 340.515 3.200 20 30 EGEDMP C=CCc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc(OC)c1O ZINC000290371968 456308255 /nfs/dbraw/zinc/30/82/55/456308255.db2.gz HLVDPNKAUKUQHX-UHFFFAOYSA-N 2 1 329.444 3.156 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc(OC)c1O ZINC000290371968 456308261 /nfs/dbraw/zinc/30/82/61/456308261.db2.gz HLVDPNKAUKUQHX-UHFFFAOYSA-N 2 1 329.444 3.156 20 30 EGEDMP C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000343087505 456398951 /nfs/dbraw/zinc/39/89/51/456398951.db2.gz VMXYYZZONXAMGA-UHFFFAOYSA-N 2 1 335.451 3.321 20 30 EGEDMP C=CCc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(OC)c1O ZINC000360167907 457285584 /nfs/dbraw/zinc/28/55/84/457285584.db2.gz GSKKNSGSCHTMAG-UHFFFAOYSA-N 2 1 332.488 3.341 20 30 EGEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411226337 457834151 /nfs/dbraw/zinc/83/41/51/457834151.db2.gz SRCXFLVOICOHTD-PMACEKPBSA-N 2 1 346.563 3.341 20 30 EGEDMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1C#N ZINC000443985848 457834919 /nfs/dbraw/zinc/83/49/19/457834919.db2.gz ZYUBCEXRUOEYQQ-GOSISDBHSA-N 2 1 349.478 3.377 20 30 EGEDMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1C#N ZINC000443985848 457834924 /nfs/dbraw/zinc/83/49/24/457834924.db2.gz ZYUBCEXRUOEYQQ-GOSISDBHSA-N 2 1 349.478 3.377 20 30 EGEDMP N#CCC[C@@H](C#N)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000371352488 457878705 /nfs/dbraw/zinc/87/87/05/457878705.db2.gz GJDDETZYVGWRLD-FQEVSTJZSA-N 2 1 336.483 3.418 20 30 EGEDMP N#CCC[C@@H](C#N)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371352488 457878710 /nfs/dbraw/zinc/87/87/10/457878710.db2.gz GJDDETZYVGWRLD-FQEVSTJZSA-N 2 1 336.483 3.418 20 30 EGEDMP C=CC[C@H]1[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CCCC1(C)C ZINC000444783998 457976711 /nfs/dbraw/zinc/97/67/11/457976711.db2.gz MLLGIRPCDVATPM-GOSISDBHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000414742886 458325463 /nfs/dbraw/zinc/32/54/63/458325463.db2.gz MQMPAGURRFOAOC-DFQSSKMNSA-N 2 1 344.499 3.037 20 30 EGEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000414742886 458325468 /nfs/dbraw/zinc/32/54/68/458325468.db2.gz MQMPAGURRFOAOC-DFQSSKMNSA-N 2 1 344.499 3.037 20 30 EGEDMP N#Cc1cccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463252079 458687472 /nfs/dbraw/zinc/68/74/72/458687472.db2.gz XYGJBCCNEOSUTN-UHFFFAOYSA-N 2 1 333.479 3.397 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000498908374 459609947 /nfs/dbraw/zinc/60/99/47/459609947.db2.gz BKJAXSSSCBXSBC-LJQANCHMSA-N 2 1 341.499 3.381 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000498908374 459609950 /nfs/dbraw/zinc/60/99/50/459609950.db2.gz BKJAXSSSCBXSBC-LJQANCHMSA-N 2 1 341.499 3.381 20 30 EGEDMP C#CC[N@H+](C)CCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000491486181 459630323 /nfs/dbraw/zinc/63/03/23/459630323.db2.gz USNGYAOWLCLMED-HNNXBMFYSA-N 2 1 325.378 3.023 20 30 EGEDMP C#CC[N@@H+](C)CCCN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000491486181 459630331 /nfs/dbraw/zinc/63/03/31/459630331.db2.gz USNGYAOWLCLMED-HNNXBMFYSA-N 2 1 325.378 3.023 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000491486181 459630337 /nfs/dbraw/zinc/63/03/37/459630337.db2.gz USNGYAOWLCLMED-HNNXBMFYSA-N 2 1 325.378 3.023 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000491486181 459630341 /nfs/dbraw/zinc/63/03/41/459630341.db2.gz USNGYAOWLCLMED-HNNXBMFYSA-N 2 1 325.378 3.023 20 30 EGEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598591329 459955943 /nfs/dbraw/zinc/95/59/43/459955943.db2.gz ZQTXWFDUQBSIAZ-FQEVSTJZSA-N 2 1 343.515 3.131 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000602515139 459978120 /nfs/dbraw/zinc/97/81/20/459978120.db2.gz UYIFFMJDPANZMI-CEXWTWQISA-N 2 1 335.536 3.433 20 30 EGEDMP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663346617 461575749 /nfs/dbraw/zinc/57/57/49/461575749.db2.gz BBFOCPSIEZHSEW-LJQANCHMSA-N 2 1 344.499 3.472 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000152962312 526603720 /nfs/dbraw/zinc/60/37/20/526603720.db2.gz YMLBPANGWINJKR-WIYYLYMNSA-N 2 1 327.516 3.280 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000174421998 547004196 /nfs/dbraw/zinc/00/41/96/547004196.db2.gz VBBCWUDDMZXWLB-UHFFFAOYSA-N 2 1 338.455 3.399 20 30 EGEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160710502 1294274909 /nfs/dbraw/zinc/27/49/09/1294274909.db2.gz VMVKIJDOROLORZ-LLVKDONJSA-N 2 1 332.370 3.042 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(O)c(OC)c1 ZINC000164518300 1294348752 /nfs/dbraw/zinc/34/87/52/1294348752.db2.gz LSJQHBFGMQKFHZ-WMZOPIPTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c(OC)c1 ZINC000164518300 1294348758 /nfs/dbraw/zinc/34/87/58/1294348758.db2.gz LSJQHBFGMQKFHZ-WMZOPIPTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(O)c(OC)c1 ZINC000164518300 1294348763 /nfs/dbraw/zinc/34/87/63/1294348763.db2.gz LSJQHBFGMQKFHZ-WMZOPIPTSA-N 2 1 330.472 3.045 20 30 EGEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000236691654 1296197262 /nfs/dbraw/zinc/19/72/62/1296197262.db2.gz FLJSILFTBWCWFM-UHFFFAOYSA-N 2 1 326.484 3.443 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000246400472 1296352941 /nfs/dbraw/zinc/35/29/41/1296352941.db2.gz LQHFFWHNCDQZST-FGTMMUONSA-N 2 1 343.471 3.093 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000246400472 1296352951 /nfs/dbraw/zinc/35/29/51/1296352951.db2.gz LQHFFWHNCDQZST-FGTMMUONSA-N 2 1 343.471 3.093 20 30 EGEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000262505055 1296636562 /nfs/dbraw/zinc/63/65/62/1296636562.db2.gz BDNVWNZKHFGVIU-INMHGKMJSA-N 2 1 334.533 3.178 20 30 EGEDMP CC[NH+](CC)[C@H](CNC(NCc1ccco1)=[NH+]C)c1ccccc1 ZINC000303397310 1296832173 /nfs/dbraw/zinc/83/21/73/1296832173.db2.gz INYXMBBZFBQGFG-GOSISDBHSA-N 2 1 328.460 3.028 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000303905162 1296877440 /nfs/dbraw/zinc/87/74/40/1296877440.db2.gz VJUWWZFOIMFWIL-UHFFFAOYSA-N 2 1 336.483 3.478 20 30 EGEDMP CC[N@@H+](CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000303971749 1296883588 /nfs/dbraw/zinc/88/35/88/1296883588.db2.gz DYJDUWPSTRRFPF-UHFFFAOYSA-N 2 1 332.370 3.042 20 30 EGEDMP Cc1ccc([C@@H](CNC(=[NH2+])NC2CCCCCC2)[NH+]2CCCC2)o1 ZINC000305745649 1297041465 /nfs/dbraw/zinc/04/14/65/1297041465.db2.gz OKBFWMKGEDSSRE-QGZVFWFLSA-N 2 1 332.492 3.352 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000883131095 1302265314 /nfs/dbraw/zinc/26/53/14/1302265314.db2.gz GBYFPQVNIIMNGK-UHFFFAOYSA-N 2 1 331.460 3.078 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000883131095 1302265321 /nfs/dbraw/zinc/26/53/21/1302265321.db2.gz GBYFPQVNIIMNGK-UHFFFAOYSA-N 2 1 331.460 3.078 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957544889 1317440279 /nfs/dbraw/zinc/44/02/79/1317440279.db2.gz AOENYEFHLHGIQB-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647533 1317519199 /nfs/dbraw/zinc/51/91/99/1317519199.db2.gz LSMWWNSAYATMEY-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NCC1=CC[N@@H+](C)CC1 ZINC000849076212 1322067791 /nfs/dbraw/zinc/06/77/91/1322067791.db2.gz BIUJECYVUUXEFM-UHFFFAOYSA-N 2 1 328.504 3.092 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750211 1323652778 /nfs/dbraw/zinc/65/27/78/1323652778.db2.gz OCXKFXYWEOUFJG-HXUWFJFHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025265018 1324078012 /nfs/dbraw/zinc/07/80/12/1324078012.db2.gz CWINQWIESSXECQ-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025275543 1324095157 /nfs/dbraw/zinc/09/51/57/1324095157.db2.gz XYNDWQPLQLMRSG-QZTJIDSGSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025275543 1324095162 /nfs/dbraw/zinc/09/51/62/1324095162.db2.gz XYNDWQPLQLMRSG-QZTJIDSGSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300983 1324133628 /nfs/dbraw/zinc/13/36/28/1324133628.db2.gz GRHDATYHHXFLRB-WOJBJXKFSA-N 2 1 347.547 3.284 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461066 1324306168 /nfs/dbraw/zinc/30/61/68/1324306168.db2.gz ORBCHHBXBLGITI-DOTOQJQBSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026506601 1324854728 /nfs/dbraw/zinc/85/47/28/1324854728.db2.gz CIGGIMZWKFFCLQ-JCYILVPMSA-N 2 1 341.927 3.019 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881933 1333289957 /nfs/dbraw/zinc/28/99/57/1333289957.db2.gz LNEJCZCDZGUDHR-HKUYNNGSSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829822 1333701733 /nfs/dbraw/zinc/70/17/33/1333701733.db2.gz XDUYCHLZXJIHOV-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968991380 1336112259 /nfs/dbraw/zinc/11/22/59/1336112259.db2.gz YOXIFZWABCSXRD-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968991380 1336112262 /nfs/dbraw/zinc/11/22/62/1336112262.db2.gz YOXIFZWABCSXRD-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968991380 1336112265 /nfs/dbraw/zinc/11/22/65/1336112265.db2.gz YOXIFZWABCSXRD-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969059305 1336133129 /nfs/dbraw/zinc/13/31/29/1336133129.db2.gz INGQJFDLHAYKJA-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059305 1336133131 /nfs/dbraw/zinc/13/31/31/1336133131.db2.gz INGQJFDLHAYKJA-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059305 1336133132 /nfs/dbraw/zinc/13/31/32/1336133132.db2.gz INGQJFDLHAYKJA-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072963 1336138338 /nfs/dbraw/zinc/13/83/38/1336138338.db2.gz VDMOCZJRAKCHQJ-FQEVSTJZSA-N 2 1 343.515 3.299 20 30 EGEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000969108506 1336146918 /nfs/dbraw/zinc/14/69/18/1336146918.db2.gz DQTQFFQLZSYUCA-PMACEKPBSA-N 2 1 347.547 3.025 20 30 EGEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000969108506 1336146919 /nfs/dbraw/zinc/14/69/19/1336146919.db2.gz DQTQFFQLZSYUCA-PMACEKPBSA-N 2 1 347.547 3.025 20 30 EGEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000969108506 1336146920 /nfs/dbraw/zinc/14/69/20/1336146920.db2.gz DQTQFFQLZSYUCA-PMACEKPBSA-N 2 1 347.547 3.025 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444297 1342504505 /nfs/dbraw/zinc/50/45/05/1342504505.db2.gz DWDPKPPBKRKVDX-HXUWFJFHSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036716921 1343649194 /nfs/dbraw/zinc/64/91/94/1343649194.db2.gz NQWBVFLZRZSMAE-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377444 1345034465 /nfs/dbraw/zinc/03/44/65/1345034465.db2.gz YDQSDULAXAUYEM-KSZLIROESA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377444 1345034467 /nfs/dbraw/zinc/03/44/67/1345034467.db2.gz YDQSDULAXAUYEM-KSZLIROESA-N 2 1 344.503 3.038 20 30 EGEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040489319 1345516859 /nfs/dbraw/zinc/51/68/59/1345516859.db2.gz OHJBUZBCVJXVGL-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040489319 1345516861 /nfs/dbraw/zinc/51/68/61/1345516861.db2.gz OHJBUZBCVJXVGL-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040489319 1345516863 /nfs/dbraw/zinc/51/68/63/1345516863.db2.gz OHJBUZBCVJXVGL-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045972763 1346808583 /nfs/dbraw/zinc/80/85/83/1346808583.db2.gz ICAYNUSVEAUDIM-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972763 1346808586 /nfs/dbraw/zinc/80/85/86/1346808586.db2.gz ICAYNUSVEAUDIM-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972763 1346808587 /nfs/dbraw/zinc/80/85/87/1346808587.db2.gz ICAYNUSVEAUDIM-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954367 1348768163 /nfs/dbraw/zinc/76/81/63/1348768163.db2.gz NCZRWNSZHHGABG-HXUWFJFHSA-N 2 1 343.515 3.299 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209238 1349210452 /nfs/dbraw/zinc/21/04/52/1349210452.db2.gz MAXOZVKFFFMAOI-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209238 1349210453 /nfs/dbraw/zinc/21/04/53/1349210453.db2.gz MAXOZVKFFFMAOI-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209238 1349210457 /nfs/dbraw/zinc/21/04/57/1349210457.db2.gz MAXOZVKFFFMAOI-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267508 1349264684 /nfs/dbraw/zinc/26/46/84/1349264684.db2.gz YBSULQRGMXIUFT-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267508 1349264685 /nfs/dbraw/zinc/26/46/85/1349264685.db2.gz YBSULQRGMXIUFT-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267508 1349264687 /nfs/dbraw/zinc/26/46/87/1349264687.db2.gz YBSULQRGMXIUFT-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](CCC)CCC ZINC001099304083 1363739845 /nfs/dbraw/zinc/73/98/45/1363739845.db2.gz MBNWNNWILILFCF-LJQANCHMSA-N 2 1 349.563 3.129 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183826378 1387354960 /nfs/dbraw/zinc/35/49/60/1387354960.db2.gz KMDBPRPGZQFCQQ-IAGOWNOFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367248 1359851901 /nfs/dbraw/zinc/85/19/01/1359851901.db2.gz FWNJTWZRGUHKSG-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407332 1360406058 /nfs/dbraw/zinc/40/60/58/1360406058.db2.gz ZCKJDIMAASZIGV-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407332 1360406060 /nfs/dbraw/zinc/40/60/60/1360406060.db2.gz ZCKJDIMAASZIGV-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407332 1360406061 /nfs/dbraw/zinc/40/60/61/1360406061.db2.gz ZCKJDIMAASZIGV-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457601 1360444773 /nfs/dbraw/zinc/44/47/73/1360444773.db2.gz CEDBEBMQYZZKSF-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565676 1360511998 /nfs/dbraw/zinc/51/19/98/1360511998.db2.gz WJZNOVMBAGVIKG-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565676 1360512001 /nfs/dbraw/zinc/51/20/01/1360512001.db2.gz WJZNOVMBAGVIKG-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565676 1360512002 /nfs/dbraw/zinc/51/20/02/1360512002.db2.gz WJZNOVMBAGVIKG-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089711530 1360614855 /nfs/dbraw/zinc/61/48/55/1360614855.db2.gz WQFDWFKDEYIICB-IBGZPJMESA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001089711531 1360615082 /nfs/dbraw/zinc/61/50/82/1360615082.db2.gz WQFDWFKDEYIICB-LJQANCHMSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089718186 1360620246 /nfs/dbraw/zinc/62/02/46/1360620246.db2.gz LVIQVMXMUMKAGE-LJQANCHMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907623 1361483960 /nfs/dbraw/zinc/48/39/60/1361483960.db2.gz VGCHEBDIZQVWBA-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907623 1361483965 /nfs/dbraw/zinc/48/39/65/1361483965.db2.gz VGCHEBDIZQVWBA-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907623 1361483969 /nfs/dbraw/zinc/48/39/69/1361483969.db2.gz VGCHEBDIZQVWBA-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094549208 1361853890 /nfs/dbraw/zinc/85/38/90/1361853890.db2.gz AJXQIMDXXPOKKY-TZIWHRDSSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001099069223 1363605546 /nfs/dbraw/zinc/60/55/46/1363605546.db2.gz CIGMSJIEAUMKLO-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001099069223 1363605547 /nfs/dbraw/zinc/60/55/47/1363605547.db2.gz CIGMSJIEAUMKLO-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001099069223 1363605548 /nfs/dbraw/zinc/60/55/48/1363605548.db2.gz CIGMSJIEAUMKLO-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099116336 1363632443 /nfs/dbraw/zinc/63/24/43/1363632443.db2.gz QODYBRMPZJCGGQ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116336 1363632444 /nfs/dbraw/zinc/63/24/44/1363632444.db2.gz QODYBRMPZJCGGQ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116336 1363632448 /nfs/dbraw/zinc/63/24/48/1363632448.db2.gz QODYBRMPZJCGGQ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099116707 1363632948 /nfs/dbraw/zinc/63/29/48/1363632948.db2.gz UXTMBERZDWXWMN-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116707 1363632951 /nfs/dbraw/zinc/63/29/51/1363632951.db2.gz UXTMBERZDWXWMN-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116707 1363632954 /nfs/dbraw/zinc/63/29/54/1363632954.db2.gz UXTMBERZDWXWMN-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348668 1363764744 /nfs/dbraw/zinc/76/47/44/1363764744.db2.gz JXKHQOBMTLYARQ-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529098 1363834619 /nfs/dbraw/zinc/83/46/19/1363834619.db2.gz LFVRQCJPPBCLPQ-YRPNKDGESA-N 2 1 349.563 3.077 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595691 1364645996 /nfs/dbraw/zinc/64/59/96/1364645996.db2.gz OCAKUWSWUPTVKH-UHFFFAOYSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102432225 1365051892 /nfs/dbraw/zinc/05/18/92/1365051892.db2.gz RWSHNELGVYMTKK-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102432225 1365051894 /nfs/dbraw/zinc/05/18/94/1365051894.db2.gz RWSHNELGVYMTKK-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103493664 1365595980 /nfs/dbraw/zinc/59/59/80/1365595980.db2.gz AEOIVNQENVRXCY-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103493664 1365595982 /nfs/dbraw/zinc/59/59/82/1365595982.db2.gz AEOIVNQENVRXCY-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103571106 1365644867 /nfs/dbraw/zinc/64/48/67/1365644867.db2.gz WQDZNKNOINEUFJ-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001103756788 1365766843 /nfs/dbraw/zinc/76/68/43/1365766843.db2.gz AABSRONMPULWRN-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185681227 1387776028 /nfs/dbraw/zinc/77/60/28/1387776028.db2.gz KCQXALRCBWQHTC-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185683015 1387777166 /nfs/dbraw/zinc/77/71/66/1387777166.db2.gz VRSFABWPCSHTTH-MJGOQNOKSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742799 1366153374 /nfs/dbraw/zinc/15/33/74/1366153374.db2.gz MATBWZPOFHAUOA-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105541636 1366520049 /nfs/dbraw/zinc/52/00/49/1366520049.db2.gz GOVMQEPXMKFTEY-IBGZPJMESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105564056 1366533147 /nfs/dbraw/zinc/53/31/47/1366533147.db2.gz VSGRBEXPDVWAEO-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106150954 1366614595 /nfs/dbraw/zinc/61/45/95/1366614595.db2.gz IWTRHFZHOBBQAH-YSTOQKLRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106349112 1366663962 /nfs/dbraw/zinc/66/39/62/1366663962.db2.gz DOPCJWAAGHJRIK-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106775702 1366794615 /nfs/dbraw/zinc/79/46/15/1366794615.db2.gz ZJKIXUPEAIZRTM-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552159 1367038973 /nfs/dbraw/zinc/03/89/73/1367038973.db2.gz HMJBBTBGCGAOEX-WIYYLYMNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552159 1367038978 /nfs/dbraw/zinc/03/89/78/1367038978.db2.gz HMJBBTBGCGAOEX-WIYYLYMNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552159 1367038982 /nfs/dbraw/zinc/03/89/82/1367038982.db2.gz HMJBBTBGCGAOEX-WIYYLYMNSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443238 1367267252 /nfs/dbraw/zinc/26/72/52/1367267252.db2.gz GUWYYWRZSPLNPI-ROUUACIJSA-N 2 1 343.531 3.169 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923032 1367640620 /nfs/dbraw/zinc/64/06/20/1367640620.db2.gz PSZZSZWFPVJBOW-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923032 1367640625 /nfs/dbraw/zinc/64/06/25/1367640625.db2.gz PSZZSZWFPVJBOW-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923032 1367640633 /nfs/dbraw/zinc/64/06/33/1367640633.db2.gz PSZZSZWFPVJBOW-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192847956 1367887826 /nfs/dbraw/zinc/88/78/26/1367887826.db2.gz UUPIDWOQLQZMNM-XLIONFOSSA-N 2 1 343.515 3.249 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194229072 1368213048 /nfs/dbraw/zinc/21/30/48/1368213048.db2.gz UGGMUGODRKGWEJ-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242118 1368574472 /nfs/dbraw/zinc/57/44/72/1368574472.db2.gz BPGSBLNRXRWGII-RBUKOAKNSA-N 2 1 346.519 3.359 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300660 1368783531 /nfs/dbraw/zinc/78/35/31/1368783531.db2.gz PCZMGZSSQXUEKG-UHFFFAOYSA-N 2 1 346.519 3.287 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001197300660 1368783536 /nfs/dbraw/zinc/78/35/36/1368783536.db2.gz PCZMGZSSQXUEKG-UHFFFAOYSA-N 2 1 346.519 3.287 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001112380703 1368807834 /nfs/dbraw/zinc/80/78/34/1368807834.db2.gz VJTXVGNEESKTIY-ZVDOUQERSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001198259475 1368991291 /nfs/dbraw/zinc/99/12/91/1368991291.db2.gz MFWQEGBZAGKCCK-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001186605757 1387985070 /nfs/dbraw/zinc/98/50/70/1387985070.db2.gz TTZIVGVQRSNVDJ-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)CC1 ZINC001186605757 1387985074 /nfs/dbraw/zinc/98/50/74/1387985074.db2.gz TTZIVGVQRSNVDJ-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)CC1 ZINC001186605757 1387985076 /nfs/dbraw/zinc/98/50/76/1387985076.db2.gz TTZIVGVQRSNVDJ-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577826 1369392933 /nfs/dbraw/zinc/39/29/33/1369392933.db2.gz IDPZHGMNGJOHGD-AZUAARDMSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001201813922 1369628025 /nfs/dbraw/zinc/62/80/25/1369628025.db2.gz KWIBJNCQNOWSEA-QYZOEREBSA-N 2 1 333.524 3.033 20 30 EGEDMP CCCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001201813922 1369628027 /nfs/dbraw/zinc/62/80/27/1369628027.db2.gz KWIBJNCQNOWSEA-QYZOEREBSA-N 2 1 333.524 3.033 20 30 EGEDMP CCCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001201813922 1369628034 /nfs/dbraw/zinc/62/80/34/1369628034.db2.gz KWIBJNCQNOWSEA-QYZOEREBSA-N 2 1 333.524 3.033 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204069035 1370366858 /nfs/dbraw/zinc/36/68/58/1370366858.db2.gz KCLCCQVVLVIEEO-SFHVURJKSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204069035 1370366863 /nfs/dbraw/zinc/36/68/63/1370366863.db2.gz KCLCCQVVLVIEEO-SFHVURJKSA-N 2 1 343.515 3.054 20 30 EGEDMP CCCCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115451097 1370459170 /nfs/dbraw/zinc/45/91/70/1370459170.db2.gz ZWMPETWFRVWFKZ-GOSISDBHSA-N 2 1 337.552 3.460 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115571865 1370574492 /nfs/dbraw/zinc/57/44/92/1370574492.db2.gz ROLQQSLGZCQAEY-SFHVURJKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCCC1 ZINC001115760822 1370745022 /nfs/dbraw/zinc/74/50/22/1370745022.db2.gz UQMAKXAAXVSCHA-GOSISDBHSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768987 1370753710 /nfs/dbraw/zinc/75/37/10/1370753710.db2.gz QRZZSIWHYJFZSK-OALUTQOASA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457795 1370761485 /nfs/dbraw/zinc/76/14/85/1370761485.db2.gz QKRLYKCTWDBEPH-AZUAARDMSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461414 1370762977 /nfs/dbraw/zinc/76/29/77/1370762977.db2.gz IFUNFHCOYTXSDP-FQEVSTJZSA-N 2 1 347.547 3.188 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)CC[C@H]1C[NH3+] ZINC001205618089 1370812977 /nfs/dbraw/zinc/81/29/77/1370812977.db2.gz RGWPVFMRKIXWQD-UZLBHIALSA-N 2 1 334.467 3.427 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205763267 1370864093 /nfs/dbraw/zinc/86/40/93/1370864093.db2.gz OXJWDYDPUZMQGG-UHFFFAOYSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481488 1371068168 /nfs/dbraw/zinc/06/81/68/1371068168.db2.gz ICMRHRKUGXACKY-AZUAARDMSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953394 1371243721 /nfs/dbraw/zinc/24/37/21/1371243721.db2.gz IBUHTPFVUMMXSS-FQEVSTJZSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001206974708 1371254351 /nfs/dbraw/zinc/25/43/51/1371254351.db2.gz OEMQHXHHAULRGK-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001206974708 1371254355 /nfs/dbraw/zinc/25/43/55/1371254355.db2.gz OEMQHXHHAULRGK-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001206974708 1371254362 /nfs/dbraw/zinc/25/43/62/1371254362.db2.gz OEMQHXHHAULRGK-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001120391358 1371558491 /nfs/dbraw/zinc/55/84/91/1371558491.db2.gz ASNQQSHSTLMBCP-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120401505 1371562420 /nfs/dbraw/zinc/56/24/20/1371562420.db2.gz KFUDALKTGAPZQH-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049029 1371580649 /nfs/dbraw/zinc/58/06/49/1371580649.db2.gz LMZHQHLRMTZOHI-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001208602362 1371836610 /nfs/dbraw/zinc/83/66/10/1371836610.db2.gz CZIZXAVGTHTVQK-FQEVSTJZSA-N 2 1 327.472 3.133 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347035 1371945118 /nfs/dbraw/zinc/94/51/18/1371945118.db2.gz DIUPELNADTZOOV-MBEFBZSESA-N 2 1 347.547 3.090 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142599 1372013137 /nfs/dbraw/zinc/01/31/37/1372013137.db2.gz SDXFLLKWQFWWGT-VAMGGRTRSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142599 1372013141 /nfs/dbraw/zinc/01/31/41/1372013141.db2.gz SDXFLLKWQFWWGT-VAMGGRTRSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142599 1372013147 /nfs/dbraw/zinc/01/31/47/1372013147.db2.gz SDXFLLKWQFWWGT-VAMGGRTRSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121778989 1372078705 /nfs/dbraw/zinc/07/87/05/1372078705.db2.gz HQPLRCWPVLKRLG-GUYFDXGHSA-N 2 1 347.547 3.090 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001122022878 1372155100 /nfs/dbraw/zinc/15/51/00/1372155100.db2.gz MJHSQWNNKLZRJU-UHFFFAOYSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209706139 1372175363 /nfs/dbraw/zinc/17/53/63/1372175363.db2.gz VHXQWEAEPFRVST-RTBURBONSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183036 1372289796 /nfs/dbraw/zinc/28/97/96/1372289796.db2.gz KFJUSJHMJRVHJU-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP N#Cc1cc(-c2ccccc2)oc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262669 1372308906 /nfs/dbraw/zinc/30/89/06/1372308906.db2.gz MDJKPHXDHCYNIX-UHFFFAOYSA-N 2 1 345.406 3.366 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611213 1373089542 /nfs/dbraw/zinc/08/95/42/1373089542.db2.gz UOFLTQQUZNXVCZ-QRVBRYPASA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001221933674 1373806466 /nfs/dbraw/zinc/80/64/66/1373806466.db2.gz KGIZCULVAOLJLI-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001221933674 1373806470 /nfs/dbraw/zinc/80/64/70/1373806470.db2.gz KGIZCULVAOLJLI-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001221933674 1373806475 /nfs/dbraw/zinc/80/64/75/1373806475.db2.gz KGIZCULVAOLJLI-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591767 1375128207 /nfs/dbraw/zinc/12/82/07/1375128207.db2.gz ZOYLKSYCKVUZEK-FQEVSTJZSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690803 1388361833 /nfs/dbraw/zinc/36/18/33/1388361833.db2.gz QUQLXMKYRHFORM-CEXWTWQISA-N 2 1 347.547 3.138 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132266550 1375255535 /nfs/dbraw/zinc/25/55/35/1375255535.db2.gz YDPZLUNKPYZMSW-ROUUACIJSA-N 2 1 337.552 3.268 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCCC ZINC001226859866 1375347756 /nfs/dbraw/zinc/34/77/56/1375347756.db2.gz DCABSZUIJXVRCL-AQNXPRMDSA-N 2 1 347.547 3.071 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCCCCC ZINC001226859866 1375347759 /nfs/dbraw/zinc/34/77/59/1375347759.db2.gz DCABSZUIJXVRCL-AQNXPRMDSA-N 2 1 347.547 3.071 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541558 1375450133 /nfs/dbraw/zinc/45/01/33/1375450133.db2.gz HEBDXKAJDSJIDC-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541558 1375450136 /nfs/dbraw/zinc/45/01/36/1375450136.db2.gz HEBDXKAJDSJIDC-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541558 1375450140 /nfs/dbraw/zinc/45/01/40/1375450140.db2.gz HEBDXKAJDSJIDC-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132541558 1375450143 /nfs/dbraw/zinc/45/01/43/1375450143.db2.gz HEBDXKAJDSJIDC-ICSRJNTNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549736 1375455953 /nfs/dbraw/zinc/45/59/53/1375455953.db2.gz YWIFDYRANUANQQ-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791278 1375474519 /nfs/dbraw/zinc/47/45/19/1375474519.db2.gz BKSKZSDQXCNLRT-FXAWDEMLSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132978633 1375691070 /nfs/dbraw/zinc/69/10/70/1375691070.db2.gz VHPJXFFYKHILBI-HKUYNNGSSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCCCCC ZINC001229180387 1375782403 /nfs/dbraw/zinc/78/24/03/1375782403.db2.gz HIGSOGRAIKQPOH-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133166531 1375820004 /nfs/dbraw/zinc/82/00/04/1375820004.db2.gz UZYMGEHVTAESQB-HKUYNNGSSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001230611105 1376100903 /nfs/dbraw/zinc/10/09/03/1376100903.db2.gz LZIOIIGANJDSQY-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001230611105 1376100904 /nfs/dbraw/zinc/10/09/04/1376100904.db2.gz LZIOIIGANJDSQY-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001230611105 1376100907 /nfs/dbraw/zinc/10/09/07/1376100907.db2.gz LZIOIIGANJDSQY-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013362 1376382616 /nfs/dbraw/zinc/38/26/16/1376382616.db2.gz MJQDYLNXZQFOTC-FQEVSTJZSA-N 2 1 338.455 3.096 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481493 1377114018 /nfs/dbraw/zinc/11/40/18/1377114018.db2.gz UPYLEPQYBLTCPV-RTBURBONSA-N 2 1 345.531 3.000 20 30 EGEDMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C[C@@H]2C1 ZINC001141295872 1378293299 /nfs/dbraw/zinc/29/32/99/1378293299.db2.gz OFAMXUUEFWRUFT-KDURUIRLSA-N 2 1 333.435 3.344 20 30 EGEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C[C@@H]2C1 ZINC001141295872 1378293303 /nfs/dbraw/zinc/29/33/03/1378293303.db2.gz OFAMXUUEFWRUFT-KDURUIRLSA-N 2 1 333.435 3.344 20 30 EGEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C[C@@H]2C1 ZINC001141295872 1378293311 /nfs/dbraw/zinc/29/33/11/1378293311.db2.gz OFAMXUUEFWRUFT-KDURUIRLSA-N 2 1 333.435 3.344 20 30 EGEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(Oc4ccc(C#N)cc4)cc3)C[C@@H]2C1 ZINC001141295872 1378293313 /nfs/dbraw/zinc/29/33/13/1378293313.db2.gz OFAMXUUEFWRUFT-KDURUIRLSA-N 2 1 333.435 3.344 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883985 1380502510 /nfs/dbraw/zinc/50/25/10/1380502510.db2.gz VDBOKQQURJZUPO-QZTJIDSGSA-N 2 1 325.541 3.146 20 30 EGEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001158060148 1381116646 /nfs/dbraw/zinc/11/66/46/1381116646.db2.gz GYDAYCSKZROMOR-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158060148 1381116654 /nfs/dbraw/zinc/11/66/54/1381116654.db2.gz GYDAYCSKZROMOR-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001158060148 1381116658 /nfs/dbraw/zinc/11/66/58/1381116658.db2.gz GYDAYCSKZROMOR-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555538 1381296917 /nfs/dbraw/zinc/29/69/17/1381296917.db2.gz UBQKJMJZIFVJNU-AZUAARDMSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160359936 1382083143 /nfs/dbraw/zinc/08/31/43/1382083143.db2.gz GQLKHNDQWOGOAP-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359936 1382083146 /nfs/dbraw/zinc/08/31/46/1382083146.db2.gz GQLKHNDQWOGOAP-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359936 1382083152 /nfs/dbraw/zinc/08/31/52/1382083152.db2.gz GQLKHNDQWOGOAP-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160467487 1382114348 /nfs/dbraw/zinc/11/43/48/1382114348.db2.gz UTIPXFKJZRUIBP-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160467487 1382114353 /nfs/dbraw/zinc/11/43/53/1382114353.db2.gz UTIPXFKJZRUIBP-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160467487 1382114355 /nfs/dbraw/zinc/11/43/55/1382114355.db2.gz UTIPXFKJZRUIBP-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001161643816 1382468330 /nfs/dbraw/zinc/46/83/30/1382468330.db2.gz BSZGZKLJCGIDGY-GOSISDBHSA-N 2 1 325.541 3.173 20 30 EGEDMP N#Cc1c2c(c[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1)CCN2Cc1ccccc1 ZINC001162393335 1382746595 /nfs/dbraw/zinc/74/65/95/1382746595.db2.gz JZYWRJOCUVIXOG-QZTJIDSGSA-N 2 1 347.466 3.198 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165333045 1383275330 /nfs/dbraw/zinc/27/53/30/1383275330.db2.gz LGYIEOMCDLFILR-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165568796 1383311807 /nfs/dbraw/zinc/31/18/07/1383311807.db2.gz LWHCLGOUUOZJDW-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165894528 1383359375 /nfs/dbraw/zinc/35/93/75/1383359375.db2.gz RBWLKEZLZBNTBU-UHFFFAOYSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)C[N@H+](C)CCCCCC ZINC001168595508 1383944596 /nfs/dbraw/zinc/94/45/96/1383944596.db2.gz JRRRRCJBQFTJFQ-UHFFFAOYSA-N 2 1 325.541 3.341 20 30 EGEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCOCC2)cc1 ZINC001170801486 1384388664 /nfs/dbraw/zinc/38/86/64/1384388664.db2.gz VVLQQKQYODDCLM-VAMGGRTRSA-N 2 1 327.472 3.199 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170877394 1384403539 /nfs/dbraw/zinc/40/35/39/1384403539.db2.gz DBSQPDIAQGYLMQ-DLBZAZTESA-N 2 1 334.508 3.237 20 30 EGEDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171183007 1384462621 /nfs/dbraw/zinc/46/26/21/1384462621.db2.gz AIISMBUOEBCYPA-KRWDZBQOSA-N 2 1 334.467 3.451 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001171308794 1384491148 /nfs/dbraw/zinc/49/11/48/1384491148.db2.gz WKTTZONBERMNKS-MOPGFXCFSA-N 2 1 349.563 3.175 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001171308794 1384491153 /nfs/dbraw/zinc/49/11/53/1384491153.db2.gz WKTTZONBERMNKS-MOPGFXCFSA-N 2 1 349.563 3.175 20 30 EGEDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172301791 1384763951 /nfs/dbraw/zinc/76/39/51/1384763951.db2.gz WVZYLANDLVABCI-KRWDZBQOSA-N 2 1 334.467 3.451 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001177317022 1385911053 /nfs/dbraw/zinc/91/10/53/1385911053.db2.gz MTLZHMLLTBSAEN-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001177349025 1385924319 /nfs/dbraw/zinc/92/43/19/1385924319.db2.gz UYWLFEVEFJHIFI-WOJBJXKFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001177488703 1385975967 /nfs/dbraw/zinc/97/59/67/1385975967.db2.gz IGIHXHLQBUZESY-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891372 1386340375 /nfs/dbraw/zinc/34/03/75/1386340375.db2.gz QAFGFLZWJIYXHG-BZSNNMDCSA-N 2 1 346.519 3.310 20 30 EGEDMP CCCCCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180265078 1386750877 /nfs/dbraw/zinc/75/08/77/1386750877.db2.gz NZHMJFQUDCPOGN-SFHVURJKSA-N 2 1 325.541 3.175 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720865 1387045765 /nfs/dbraw/zinc/04/57/65/1387045765.db2.gz QQLROFQOXFQDAY-SFHLNBCPSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182001303 1387092152 /nfs/dbraw/zinc/09/21/52/1387092152.db2.gz NWNDWUIWFUTDPW-SVFBPWRDSA-N 2 1 349.563 3.147 20 30 EGEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC001335439789 1390684738 /nfs/dbraw/zinc/68/47/38/1390684738.db2.gz HPGICBWBEHRTCS-QGZVFWFLSA-N 2 1 341.282 3.104 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753005042 1440265709 /nfs/dbraw/zinc/26/57/09/1440265709.db2.gz AWULNAAESXJICY-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001753062226 1440283882 /nfs/dbraw/zinc/28/38/82/1440283882.db2.gz ZCLSYBNNKPKSDK-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753062226 1440283883 /nfs/dbraw/zinc/28/38/83/1440283883.db2.gz ZCLSYBNNKPKSDK-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753062226 1440283884 /nfs/dbraw/zinc/28/38/84/1440283884.db2.gz ZCLSYBNNKPKSDK-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753275387 1440346187 /nfs/dbraw/zinc/34/61/87/1440346187.db2.gz QMVLBKQNECIDFX-HKUYNNGSSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753336025 1440372378 /nfs/dbraw/zinc/37/23/78/1440372378.db2.gz YJTJNLHVFGQLMB-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753358169 1440381068 /nfs/dbraw/zinc/38/10/68/1440381068.db2.gz KZKIFJKDIWKDKH-ICSRJNTNSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753358169 1440381069 /nfs/dbraw/zinc/38/10/69/1440381069.db2.gz KZKIFJKDIWKDKH-ICSRJNTNSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753358169 1440381070 /nfs/dbraw/zinc/38/10/70/1440381070.db2.gz KZKIFJKDIWKDKH-ICSRJNTNSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753547710 1440434504 /nfs/dbraw/zinc/43/45/04/1440434504.db2.gz HCEBDAMGFQEMNA-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CCCCCC1 ZINC001754545876 1440627667 /nfs/dbraw/zinc/62/76/67/1440627667.db2.gz XPLKQFDQSBRYAK-UHFFFAOYSA-N 2 1 347.547 3.189 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001754696707 1440667166 /nfs/dbraw/zinc/66/71/66/1440667166.db2.gz BQMUOKKZNSIVKQ-PZJWPPBQSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCC1 ZINC001754989314 1440723827 /nfs/dbraw/zinc/72/38/27/1440723827.db2.gz BJEIENOHMFVDFJ-UHFFFAOYSA-N 2 1 335.536 3.234 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001755143488 1440762033 /nfs/dbraw/zinc/76/20/33/1440762033.db2.gz JUEYKZFJLRFHNZ-ROUUACIJSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001755143488 1440762034 /nfs/dbraw/zinc/76/20/34/1440762034.db2.gz JUEYKZFJLRFHNZ-ROUUACIJSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001755143488 1440762035 /nfs/dbraw/zinc/76/20/35/1440762035.db2.gz JUEYKZFJLRFHNZ-ROUUACIJSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC001755143592 1440762264 /nfs/dbraw/zinc/76/22/64/1440762264.db2.gz LTIWIZBKHKRFOC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755143592 1440762265 /nfs/dbraw/zinc/76/22/65/1440762265.db2.gz LTIWIZBKHKRFOC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001755143592 1440762266 /nfs/dbraw/zinc/76/22/66/1440762266.db2.gz LTIWIZBKHKRFOC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001755143995 1440762471 /nfs/dbraw/zinc/76/24/71/1440762471.db2.gz UJPFXCNWOAYZBF-SFHVURJKSA-N 2 1 348.535 3.379 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001755143995 1440762472 /nfs/dbraw/zinc/76/24/72/1440762472.db2.gz UJPFXCNWOAYZBF-SFHVURJKSA-N 2 1 348.535 3.379 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755193131 1440775501 /nfs/dbraw/zinc/77/55/01/1440775501.db2.gz SDOQJQMHLRTRHM-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755193131 1440775502 /nfs/dbraw/zinc/77/55/02/1440775502.db2.gz SDOQJQMHLRTRHM-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755193131 1440775503 /nfs/dbraw/zinc/77/55/03/1440775503.db2.gz SDOQJQMHLRTRHM-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001755204472 1440781796 /nfs/dbraw/zinc/78/17/96/1440781796.db2.gz KUCPGIZILAUUDJ-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001755204472 1440781797 /nfs/dbraw/zinc/78/17/97/1440781797.db2.gz KUCPGIZILAUUDJ-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001755204472 1440781798 /nfs/dbraw/zinc/78/17/98/1440781798.db2.gz KUCPGIZILAUUDJ-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001755211719 1440783234 /nfs/dbraw/zinc/78/32/34/1440783234.db2.gz UVIBHVQQNCQCSY-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001755211719 1440783235 /nfs/dbraw/zinc/78/32/35/1440783235.db2.gz UVIBHVQQNCQCSY-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001755211719 1440783236 /nfs/dbraw/zinc/78/32/36/1440783236.db2.gz UVIBHVQQNCQCSY-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001755560061 1440874265 /nfs/dbraw/zinc/87/42/65/1440874265.db2.gz OXBHQTHLBQFINB-UXHICEINSA-N 2 1 347.547 3.186 20 30 EGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000093844436 162030479 /nfs/dbraw/zinc/03/04/79/162030479.db2.gz OMXDVKPLLJNVLF-IYBDPMFKSA-N 2 1 347.528 3.331 20 30 EGEDMP N#Cc1ccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)c(F)c1 ZINC000285431602 268166812 /nfs/dbraw/zinc/16/68/12/268166812.db2.gz HLFNMKWLNVLRDU-UHFFFAOYSA-N 2 1 345.462 3.417 20 30 EGEDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149955 455294392 /nfs/dbraw/zinc/29/43/92/455294392.db2.gz BKNIJVKCJWFWAM-WBVHZDCISA-N 2 1 348.288 3.237 20 30 EGEDMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000130776133 454218425 /nfs/dbraw/zinc/21/84/25/454218425.db2.gz WYJMHFJEZGAGOR-UHFFFAOYSA-N 2 1 348.494 3.332 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066455 454513088 /nfs/dbraw/zinc/51/30/88/454513088.db2.gz IKTPXFJECHYCMI-HGHGUNKESA-N 2 1 339.483 3.426 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066455 454513095 /nfs/dbraw/zinc/51/30/95/454513095.db2.gz IKTPXFJECHYCMI-HGHGUNKESA-N 2 1 339.483 3.426 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066455 454513100 /nfs/dbraw/zinc/51/31/00/454513100.db2.gz IKTPXFJECHYCMI-HGHGUNKESA-N 2 1 339.483 3.426 20 30 EGEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](C#N)CCC#N ZINC000092820954 454640099 /nfs/dbraw/zinc/64/00/99/454640099.db2.gz YFUFQJFEQZAXIC-SFHVURJKSA-N 2 1 325.460 3.063 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000152974925 454748468 /nfs/dbraw/zinc/74/84/68/454748468.db2.gz NVVQEOVOCGZFOS-OAQYLSRUSA-N 2 1 327.516 3.281 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000152974925 454748471 /nfs/dbraw/zinc/74/84/71/454748471.db2.gz NVVQEOVOCGZFOS-OAQYLSRUSA-N 2 1 327.516 3.281 20 30 EGEDMP C=CCC[C@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156940447 455158112 /nfs/dbraw/zinc/15/81/12/455158112.db2.gz CDEYGBZUHSEGOG-PMACEKPBSA-N 2 1 343.515 3.218 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000185775248 455620032 /nfs/dbraw/zinc/62/00/32/455620032.db2.gz ULLHHUGMTYPGJL-TYPHKJRUSA-N 2 1 340.515 3.037 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)c2)CCO1 ZINC000248855899 455734553 /nfs/dbraw/zinc/73/45/53/455734553.db2.gz PHJDQHIGWRDRNY-MBOZVWFJSA-N 2 1 327.472 3.079 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)c2)CCO1 ZINC000248855899 455734556 /nfs/dbraw/zinc/73/45/56/455734556.db2.gz PHJDQHIGWRDRNY-MBOZVWFJSA-N 2 1 327.472 3.079 20 30 EGEDMP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273308395 456222629 /nfs/dbraw/zinc/22/26/29/456222629.db2.gz TUBJUSGKHQHIQZ-WMZOPIPTSA-N 2 1 327.472 3.332 20 30 EGEDMP CN(C(=[NH2+])NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000273336720 456223452 /nfs/dbraw/zinc/22/34/52/456223452.db2.gz LFRKFKLDLSKNGK-UHFFFAOYSA-N 2 1 328.504 3.360 20 30 EGEDMP CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000330280634 457021147 /nfs/dbraw/zinc/02/11/47/457021147.db2.gz SSNCSNSITJXELC-SJORKVTESA-N 2 1 347.507 3.218 20 30 EGEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354380490 457187849 /nfs/dbraw/zinc/18/78/49/457187849.db2.gz IBGZXNNOBNXYJP-UHFFFAOYSA-N 2 1 347.528 3.177 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459400568 458359979 /nfs/dbraw/zinc/35/99/79/458359979.db2.gz LAVOOFDFPZSWAF-SFHVURJKSA-N 2 1 343.515 3.042 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453171898 458520920 /nfs/dbraw/zinc/52/09/20/458520920.db2.gz XCQDZKKJPSUSKK-UWHLTILDSA-N 2 1 328.500 3.204 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512617774 458787212 /nfs/dbraw/zinc/78/72/12/458787212.db2.gz GRXHBZJGMFUGDM-JSXRDJHFSA-N 2 1 328.500 3.061 20 30 EGEDMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(C#N)n(C)c2)C[N@H+]1Cc1ccccc1 ZINC000480305038 459193072 /nfs/dbraw/zinc/19/30/72/459193072.db2.gz DBZYAXCMRIDKQG-HKUYNNGSSA-N 2 1 336.483 3.287 20 30 EGEDMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000559786942 459277824 /nfs/dbraw/zinc/27/78/24/459277824.db2.gz LFGVREKGCVLVTG-CTNGQTDRSA-N 2 1 335.451 3.362 20 30 EGEDMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC000559786942 459277829 /nfs/dbraw/zinc/27/78/29/459277829.db2.gz LFGVREKGCVLVTG-CTNGQTDRSA-N 2 1 335.451 3.362 20 30 EGEDMP C=CCCCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000488164522 459539670 /nfs/dbraw/zinc/53/96/70/459539670.db2.gz QQMGMHWOOFGVBR-OALUTQOASA-N 2 1 338.536 3.323 20 30 EGEDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000611392619 460354245 /nfs/dbraw/zinc/35/42/45/460354245.db2.gz YZAIDWIIXCYCEU-LLGFUMIMSA-N 2 1 341.499 3.415 20 30 EGEDMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807464 460468749 /nfs/dbraw/zinc/46/87/49/460468749.db2.gz MFJULNQREALRON-JTSKRJEESA-N 2 1 349.478 3.333 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)cc1Cl ZINC000303780786 1296852733 /nfs/dbraw/zinc/85/27/33/1296852733.db2.gz LQFGBCDQQILAFQ-ZDUSSCGKSA-N 2 1 338.883 3.340 20 30 EGEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000303871344 1296863056 /nfs/dbraw/zinc/86/30/56/1296863056.db2.gz FVALKIJCEGDVOO-HNNXBMFYSA-N 2 1 344.425 3.401 20 30 EGEDMP CCCCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303882393 1296867117 /nfs/dbraw/zinc/86/71/17/1296867117.db2.gz LKNMIPGNPLHLGJ-IBGZPJMESA-N 2 1 330.520 3.036 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000303885203 1296867280 /nfs/dbraw/zinc/86/72/80/1296867280.db2.gz JNQVKIYBZBKITO-HZPDHXFCSA-N 2 1 332.492 3.321 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303883218 1296868832 /nfs/dbraw/zinc/86/88/32/1296868832.db2.gz ILXHCSOTKSHWFW-GOSISDBHSA-N 2 1 330.520 3.348 20 30 EGEDMP CCCCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000303890089 1296871082 /nfs/dbraw/zinc/87/10/82/1296871082.db2.gz PWVZTAICFZRUNK-UHFFFAOYSA-N 2 1 331.439 3.304 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000303911719 1296880916 /nfs/dbraw/zinc/88/09/16/1296880916.db2.gz ZTUVHEPVABJABY-CHWSQXEVSA-N 2 1 338.883 3.196 20 30 EGEDMP COc1ccc([C@H](CNC(=[NH2+])N2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000305049320 1296957279 /nfs/dbraw/zinc/95/72/79/1296957279.db2.gz GOWBBGUJPHOFAL-IBGZPJMESA-N 2 1 344.503 3.023 20 30 EGEDMP C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311739129 1297111103 /nfs/dbraw/zinc/11/11/03/1297111103.db2.gz AZYYRGUFAMMQDX-MTNREXPMSA-N 2 1 349.478 3.092 20 30 EGEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000877060668 1299139201 /nfs/dbraw/zinc/13/92/01/1299139201.db2.gz NDSCWXFLPBDKEX-NHCUHLMSSA-N 2 1 328.500 3.043 20 30 EGEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000877060668 1299139208 /nfs/dbraw/zinc/13/92/08/1299139208.db2.gz NDSCWXFLPBDKEX-NHCUHLMSSA-N 2 1 328.500 3.043 20 30 EGEDMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877660666 1299461727 /nfs/dbraw/zinc/46/17/27/1299461727.db2.gz QDIQMFNQCAHCPE-SBHAEUEKSA-N 2 1 326.484 3.373 20 30 EGEDMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877660666 1299461729 /nfs/dbraw/zinc/46/17/29/1299461729.db2.gz QDIQMFNQCAHCPE-SBHAEUEKSA-N 2 1 326.484 3.373 20 30 EGEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)C2)CC1 ZINC000755776203 1300394501 /nfs/dbraw/zinc/39/45/01/1300394501.db2.gz YFZCNDXCKHLPSW-HXUWFJFHSA-N 2 1 349.482 3.043 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(O)c(OC)c1 ZINC000755782054 1300397247 /nfs/dbraw/zinc/39/72/47/1300397247.db2.gz XOLOTEWMAKXPNT-GOSISDBHSA-N 2 1 344.499 3.293 20 30 EGEDMP Cc1[nH]c(C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)[nH+]c1C ZINC000886662722 1303544316 /nfs/dbraw/zinc/54/43/16/1303544316.db2.gz KPQLBFUBJFCYII-UHFFFAOYSA-N 2 1 330.476 3.307 20 30 EGEDMP COc1ccc(C(C)=NNc2cc[nH+]cc2)cc1C[NH+]1CCCCC1 ZINC000779812638 1304608617 /nfs/dbraw/zinc/60/86/17/1304608617.db2.gz VSBMGXVGGJOVJP-UHFFFAOYSA-N 2 1 338.455 3.334 20 30 EGEDMP C#CCSCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781421610 1304825101 /nfs/dbraw/zinc/82/51/01/1304825101.db2.gz HTCSWFOZKOKMNB-HSALFYBXSA-N 2 1 328.525 3.243 20 30 EGEDMP C=CCCC[C@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000904602920 1317867289 /nfs/dbraw/zinc/86/72/89/1317867289.db2.gz YSIDPDHSCBNPMC-INIZCTEOSA-N 2 1 330.432 3.033 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000815652768 1319037871 /nfs/dbraw/zinc/03/78/71/1319037871.db2.gz RUYZLEXSEAXGFY-LBPRGKRZSA-N 2 1 329.307 3.425 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)c(Br)s1 ZINC000815652768 1319037880 /nfs/dbraw/zinc/03/78/80/1319037880.db2.gz RUYZLEXSEAXGFY-LBPRGKRZSA-N 2 1 329.307 3.425 20 30 EGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cc1 ZINC000859212676 1328946817 /nfs/dbraw/zinc/94/68/17/1328946817.db2.gz MUECTJSDEVGJHK-UHFFFAOYSA-N 2 1 329.488 3.281 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433818 1324273110 /nfs/dbraw/zinc/27/31/10/1324273110.db2.gz PNBPHAPENHUMDQ-JKSUJKDBSA-N 2 1 349.544 3.216 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025433816 1324273766 /nfs/dbraw/zinc/27/37/66/1324273766.db2.gz PNBPHAPENHUMDQ-HZPDHXFCSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025475299 1324320991 /nfs/dbraw/zinc/32/09/91/1324320991.db2.gz SPGXZKBHAZBWSR-AEFFLSMTSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025624069 1324474915 /nfs/dbraw/zinc/47/49/15/1324474915.db2.gz AYJJAXCJPWEOQH-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963419208 1325228894 /nfs/dbraw/zinc/22/88/94/1325228894.db2.gz CPPMWJJOEFRRJB-QLOJAFMTSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945088471 1332496563 /nfs/dbraw/zinc/49/65/63/1332496563.db2.gz BSLMMEKSWKMQML-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377043 1333502008 /nfs/dbraw/zinc/50/20/08/1333502008.db2.gz GEWPSMBBZFWDJI-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948377043 1333502009 /nfs/dbraw/zinc/50/20/09/1333502009.db2.gz GEWPSMBBZFWDJI-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948377043 1333502013 /nfs/dbraw/zinc/50/20/13/1333502013.db2.gz GEWPSMBBZFWDJI-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990606 1336112445 /nfs/dbraw/zinc/11/24/45/1336112445.db2.gz IWEBDNXEGOHXJR-UXHICEINSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990606 1336112446 /nfs/dbraw/zinc/11/24/46/1336112446.db2.gz IWEBDNXEGOHXJR-UXHICEINSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990606 1336112448 /nfs/dbraw/zinc/11/24/48/1336112448.db2.gz IWEBDNXEGOHXJR-UXHICEINSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083666 1336449324 /nfs/dbraw/zinc/44/93/24/1336449324.db2.gz LPHXPFQVSRHDPL-IBGZPJMESA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006277523 1336480582 /nfs/dbraw/zinc/48/05/82/1336480582.db2.gz GNNIPWWETKZLMF-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017839633 1339429251 /nfs/dbraw/zinc/42/92/51/1339429251.db2.gz QFUDWAITFFMMBS-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001017839633 1339429257 /nfs/dbraw/zinc/42/92/57/1339429257.db2.gz QFUDWAITFFMMBS-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017839633 1339429262 /nfs/dbraw/zinc/42/92/62/1339429262.db2.gz QFUDWAITFFMMBS-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001017839633 1339429271 /nfs/dbraw/zinc/42/92/71/1339429271.db2.gz QFUDWAITFFMMBS-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755039 1340791381 /nfs/dbraw/zinc/79/13/81/1340791381.db2.gz FEFPZCIXHDZKIC-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755039 1340791385 /nfs/dbraw/zinc/79/13/85/1340791385.db2.gz FEFPZCIXHDZKIC-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755039 1340791389 /nfs/dbraw/zinc/79/13/89/1340791389.db2.gz FEFPZCIXHDZKIC-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251454 1342347919 /nfs/dbraw/zinc/34/79/19/1342347919.db2.gz ZIMAZISFGNQGBH-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251454 1342347921 /nfs/dbraw/zinc/34/79/21/1342347921.db2.gz ZIMAZISFGNQGBH-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251454 1342347926 /nfs/dbraw/zinc/34/79/26/1342347926.db2.gz ZIMAZISFGNQGBH-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034290208 1342376318 /nfs/dbraw/zinc/37/63/18/1342376318.db2.gz YSCWJMZDRLGQTA-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034290208 1342376322 /nfs/dbraw/zinc/37/63/22/1342376322.db2.gz YSCWJMZDRLGQTA-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034290208 1342376323 /nfs/dbraw/zinc/37/63/23/1342376323.db2.gz YSCWJMZDRLGQTA-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001039458213 1345077799 /nfs/dbraw/zinc/07/77/99/1345077799.db2.gz JXDHSEDSUPEZBX-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039458213 1345077803 /nfs/dbraw/zinc/07/78/03/1345077803.db2.gz JXDHSEDSUPEZBX-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001039458213 1345077805 /nfs/dbraw/zinc/07/78/05/1345077805.db2.gz JXDHSEDSUPEZBX-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244054 1345393609 /nfs/dbraw/zinc/39/36/09/1345393609.db2.gz GRQWKPCNGKGLSI-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244054 1345393614 /nfs/dbraw/zinc/39/36/14/1345393614.db2.gz GRQWKPCNGKGLSI-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244054 1345393619 /nfs/dbraw/zinc/39/36/19/1345393619.db2.gz GRQWKPCNGKGLSI-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433544 1345496242 /nfs/dbraw/zinc/49/62/42/1345496242.db2.gz XEBXEUAMFGSLIJ-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040702790 1345567656 /nfs/dbraw/zinc/56/76/56/1345567656.db2.gz YWHZISNHYJUYPT-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040953893 1345609314 /nfs/dbraw/zinc/60/93/14/1345609314.db2.gz SVHXNWZRXCUPDV-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357953 1345710079 /nfs/dbraw/zinc/71/00/79/1345710079.db2.gz JMJUVFPBQCJWOS-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357953 1345710082 /nfs/dbraw/zinc/71/00/82/1345710082.db2.gz JMJUVFPBQCJWOS-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357953 1345710083 /nfs/dbraw/zinc/71/00/83/1345710083.db2.gz JMJUVFPBQCJWOS-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063378 1345933436 /nfs/dbraw/zinc/93/34/36/1345933436.db2.gz VTQDVCDNKUVRMZ-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045966431 1346801283 /nfs/dbraw/zinc/80/12/83/1346801283.db2.gz WMTQQDXUGHZJKI-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966431 1346801285 /nfs/dbraw/zinc/80/12/85/1346801285.db2.gz WMTQQDXUGHZJKI-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966431 1346801286 /nfs/dbraw/zinc/80/12/86/1346801286.db2.gz WMTQQDXUGHZJKI-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001048530733 1347580123 /nfs/dbraw/zinc/58/01/23/1347580123.db2.gz AATRVKXCAYBTHQ-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048530733 1347580124 /nfs/dbraw/zinc/58/01/24/1347580124.db2.gz AATRVKXCAYBTHQ-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048530733 1347580126 /nfs/dbraw/zinc/58/01/26/1347580126.db2.gz AATRVKXCAYBTHQ-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476982 1347868205 /nfs/dbraw/zinc/86/82/05/1347868205.db2.gz DXPCNSRMIOOWFS-OALUTQOASA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763166 1348668711 /nfs/dbraw/zinc/66/87/11/1348668711.db2.gz DOPKVBJXUXIWJK-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088537 1348914290 /nfs/dbraw/zinc/91/42/90/1348914290.db2.gz XCZHXPWDEZPHRE-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088537 1348914297 /nfs/dbraw/zinc/91/42/97/1348914297.db2.gz XCZHXPWDEZPHRE-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088537 1348914298 /nfs/dbraw/zinc/91/42/98/1348914298.db2.gz XCZHXPWDEZPHRE-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071509007 1354733799 /nfs/dbraw/zinc/73/37/99/1354733799.db2.gz WGJGNIJBUFWLRW-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072110165 1355136540 /nfs/dbraw/zinc/13/65/40/1355136540.db2.gz TWTDNPBOGWGXDH-IRXDYDNUSA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597742 1358623622 /nfs/dbraw/zinc/62/36/22/1358623622.db2.gz FHUKWJDGZKTZEQ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597742 1358623623 /nfs/dbraw/zinc/62/36/23/1358623623.db2.gz FHUKWJDGZKTZEQ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597742 1358623629 /nfs/dbraw/zinc/62/36/29/1358623629.db2.gz FHUKWJDGZKTZEQ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792005 1359648348 /nfs/dbraw/zinc/64/83/48/1359648348.db2.gz IKQOXUOHCSESHU-OTWHNJEPSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792005 1359648350 /nfs/dbraw/zinc/64/83/50/1359648350.db2.gz IKQOXUOHCSESHU-OTWHNJEPSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792005 1359648353 /nfs/dbraw/zinc/64/83/53/1359648353.db2.gz IKQOXUOHCSESHU-OTWHNJEPSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407307 1360406024 /nfs/dbraw/zinc/40/60/24/1360406024.db2.gz YIVYDORTEJBUBE-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407307 1360406026 /nfs/dbraw/zinc/40/60/26/1360406026.db2.gz YIVYDORTEJBUBE-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407307 1360406028 /nfs/dbraw/zinc/40/60/28/1360406028.db2.gz YIVYDORTEJBUBE-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472345 1360455495 /nfs/dbraw/zinc/45/54/95/1360455495.db2.gz GQRZOFSOJGDOKO-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472345 1360455496 /nfs/dbraw/zinc/45/54/96/1360455496.db2.gz GQRZOFSOJGDOKO-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472345 1360455498 /nfs/dbraw/zinc/45/54/98/1360455498.db2.gz GQRZOFSOJGDOKO-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089504844 1360477857 /nfs/dbraw/zinc/47/78/57/1360477857.db2.gz CXILNKBLIUXKEY-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC(C)(C)C1 ZINC001089504844 1360477858 /nfs/dbraw/zinc/47/78/58/1360477858.db2.gz CXILNKBLIUXKEY-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510610 1360482224 /nfs/dbraw/zinc/48/22/24/1360482224.db2.gz YVCWDRSGSWESRY-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656621 1360568272 /nfs/dbraw/zinc/56/82/72/1360568272.db2.gz LNHCIKMNXAEONQ-SFHVURJKSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089663593 1360573660 /nfs/dbraw/zinc/57/36/60/1360573660.db2.gz QDKTUKCPOAFBPR-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663593 1360573662 /nfs/dbraw/zinc/57/36/62/1360573662.db2.gz QDKTUKCPOAFBPR-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089663593 1360573663 /nfs/dbraw/zinc/57/36/63/1360573663.db2.gz QDKTUKCPOAFBPR-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001089684034 1360589569 /nfs/dbraw/zinc/58/95/69/1360589569.db2.gz MTXMOLBILMFDFG-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684034 1360589573 /nfs/dbraw/zinc/58/95/73/1360589573.db2.gz MTXMOLBILMFDFG-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001089684034 1360589576 /nfs/dbraw/zinc/58/95/76/1360589576.db2.gz MTXMOLBILMFDFG-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089707074 1360609823 /nfs/dbraw/zinc/60/98/23/1360609823.db2.gz YZTIFMHHAVVVAF-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089707074 1360609828 /nfs/dbraw/zinc/60/98/28/1360609828.db2.gz YZTIFMHHAVVVAF-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089707074 1360609830 /nfs/dbraw/zinc/60/98/30/1360609830.db2.gz YZTIFMHHAVVVAF-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184809405 1387543666 /nfs/dbraw/zinc/54/36/66/1387543666.db2.gz FUQFSIJXAZXENS-PKOBYXMFSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099234004 1363705712 /nfs/dbraw/zinc/70/57/12/1363705712.db2.gz FUPJDXKUFPTCAC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234004 1363705715 /nfs/dbraw/zinc/70/57/15/1363705715.db2.gz FUPJDXKUFPTCAC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099234004 1363705718 /nfs/dbraw/zinc/70/57/18/1363705718.db2.gz FUPJDXKUFPTCAC-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251415 1363713767 /nfs/dbraw/zinc/71/37/67/1363713767.db2.gz JRRXIQHPPRREII-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251198 1363713798 /nfs/dbraw/zinc/71/37/98/1363713798.db2.gz HMUKVCVPFULZHE-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270409 1363725447 /nfs/dbraw/zinc/72/54/47/1363725447.db2.gz KZIMZHHGTRACDR-SFHVURJKSA-N 2 1 346.519 3.155 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099270409 1363725448 /nfs/dbraw/zinc/72/54/48/1363725448.db2.gz KZIMZHHGTRACDR-SFHVURJKSA-N 2 1 346.519 3.155 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099354231 1363768657 /nfs/dbraw/zinc/76/86/57/1363768657.db2.gz PDPBXVIHISLEBT-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403382 1364103359 /nfs/dbraw/zinc/10/33/59/1364103359.db2.gz LYOODDKWGRFSBF-IOJLRTSASA-N 2 1 349.563 3.195 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001100420648 1364108550 /nfs/dbraw/zinc/10/85/50/1364108550.db2.gz PPVATPDAYVITCU-ACBHZAAOSA-N 2 1 337.552 3.316 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001101036352 1364383933 /nfs/dbraw/zinc/38/39/33/1364383933.db2.gz NZFPDOKFVNTZHA-ACBHZAAOSA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001185317416 1387681389 /nfs/dbraw/zinc/68/13/89/1387681389.db2.gz PHLGEXCGHYECAL-OALUTQOASA-N 2 1 337.552 3.149 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101547908 1364611814 /nfs/dbraw/zinc/61/18/14/1364611814.db2.gz VFJHDEFUUWECBM-LJQANCHMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001101552311 1364614501 /nfs/dbraw/zinc/61/45/01/1364614501.db2.gz BRJOMRCBVHPANY-LJQANCHMSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101594581 1364645676 /nfs/dbraw/zinc/64/56/76/1364645676.db2.gz GCQJEVLOOTUUQN-ZWKOTPCHSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495464 1365597429 /nfs/dbraw/zinc/59/74/29/1365597429.db2.gz DIEZXYGCJIXUKE-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544585 1365625124 /nfs/dbraw/zinc/62/51/24/1365625124.db2.gz YYKBEQHNORVGDT-QRVBRYPASA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563193 1366532737 /nfs/dbraw/zinc/53/27/37/1366532737.db2.gz GKUMPVYTVGDVIB-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](CCC)CCC)CCC[C@@H]12 ZINC001107606582 1367068324 /nfs/dbraw/zinc/06/83/24/1367068324.db2.gz DHLCEYPVWHRJQA-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419465 1367112960 /nfs/dbraw/zinc/11/29/60/1367112960.db2.gz QWVVWFMOYXCVCU-YRPNKDGESA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419465 1367112964 /nfs/dbraw/zinc/11/29/64/1367112964.db2.gz QWVVWFMOYXCVCU-YRPNKDGESA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419465 1367112967 /nfs/dbraw/zinc/11/29/67/1367112967.db2.gz QWVVWFMOYXCVCU-YRPNKDGESA-N 2 1 347.547 3.329 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001190756823 1367343552 /nfs/dbraw/zinc/34/35/52/1367343552.db2.gz XXGHCAOJAQGFNB-GVDBMIGSSA-N 2 1 332.492 3.016 20 30 EGEDMP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001190756823 1367343555 /nfs/dbraw/zinc/34/35/55/1367343555.db2.gz XXGHCAOJAQGFNB-GVDBMIGSSA-N 2 1 332.492 3.016 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001190756823 1367343562 /nfs/dbraw/zinc/34/35/62/1367343562.db2.gz XXGHCAOJAQGFNB-GVDBMIGSSA-N 2 1 332.492 3.016 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975971 1367439488 /nfs/dbraw/zinc/43/94/88/1367439488.db2.gz MERVRLQNWNGYSH-YRXWBPOGSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109975971 1367439490 /nfs/dbraw/zinc/43/94/90/1367439490.db2.gz MERVRLQNWNGYSH-YRXWBPOGSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109975971 1367439494 /nfs/dbraw/zinc/43/94/94/1367439494.db2.gz MERVRLQNWNGYSH-YRXWBPOGSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975970 1367439694 /nfs/dbraw/zinc/43/96/94/1367439694.db2.gz MERVRLQNWNGYSH-RDGPPVDQSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109975970 1367439698 /nfs/dbraw/zinc/43/96/98/1367439698.db2.gz MERVRLQNWNGYSH-RDGPPVDQSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109975970 1367439701 /nfs/dbraw/zinc/43/97/01/1367439701.db2.gz MERVRLQNWNGYSH-RDGPPVDQSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002716 1367453675 /nfs/dbraw/zinc/45/36/75/1367453675.db2.gz QYDODDJXOCAVQM-QYZOEREBSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950573 1367647907 /nfs/dbraw/zinc/64/79/07/1367647907.db2.gz URZKMXIBKGYNSD-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191950573 1367647908 /nfs/dbraw/zinc/64/79/08/1367647908.db2.gz URZKMXIBKGYNSD-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191950573 1367647910 /nfs/dbraw/zinc/64/79/10/1367647910.db2.gz URZKMXIBKGYNSD-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192857105 1367890131 /nfs/dbraw/zinc/89/01/31/1367890131.db2.gz GCKLYQVFVHAUTE-IBGZPJMESA-N 2 1 346.519 3.251 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192857105 1367890132 /nfs/dbraw/zinc/89/01/32/1367890132.db2.gz GCKLYQVFVHAUTE-IBGZPJMESA-N 2 1 346.519 3.251 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110670948 1367911049 /nfs/dbraw/zinc/91/10/49/1367911049.db2.gz KNZPFQYQSOXZQL-QRVBRYPASA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110670948 1367911055 /nfs/dbraw/zinc/91/10/55/1367911055.db2.gz KNZPFQYQSOXZQL-QRVBRYPASA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110670948 1367911059 /nfs/dbraw/zinc/91/10/59/1367911059.db2.gz KNZPFQYQSOXZQL-QRVBRYPASA-N 2 1 335.536 3.163 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194274232 1368221331 /nfs/dbraw/zinc/22/13/31/1368221331.db2.gz GEFILLIMDPSXCX-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274885 1368241491 /nfs/dbraw/zinc/24/14/91/1368241491.db2.gz MERVRLQNWNGYSH-MKXGPGLRSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274885 1368241495 /nfs/dbraw/zinc/24/14/95/1368241495.db2.gz MERVRLQNWNGYSH-MKXGPGLRSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111274885 1368241498 /nfs/dbraw/zinc/24/14/98/1368241498.db2.gz MERVRLQNWNGYSH-MKXGPGLRSA-N 2 1 335.536 3.020 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463265 1368311046 /nfs/dbraw/zinc/31/10/46/1368311046.db2.gz HDNQPRHCUKYGGA-ZRNYENFQSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197188235 1368761286 /nfs/dbraw/zinc/76/12/86/1368761286.db2.gz WWWBNPQLENTKHT-UHFFFAOYSA-N 2 1 337.552 3.245 20 30 EGEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001112492907 1368888833 /nfs/dbraw/zinc/88/88/33/1368888833.db2.gz KEBCZWJKDZOLOX-RXVVDRJESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198243148 1368987681 /nfs/dbraw/zinc/98/76/81/1368987681.db2.gz FWGGYRUPXDGSPE-UHFFFAOYSA-N 2 1 335.536 3.143 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791687 1370266524 /nfs/dbraw/zinc/26/65/24/1370266524.db2.gz KDQHBWQXXWKLNB-MSOLQXFVSA-N 2 1 337.552 3.314 20 30 EGEDMP CCC[NH+](CCC)CCCN1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001203906271 1370310467 /nfs/dbraw/zinc/31/04/67/1370310467.db2.gz LRUXYVBIDLGZCM-UHFFFAOYSA-N 2 1 342.531 3.188 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CCN(CCC[NH+](CC)CC)CC2)cc1 ZINC001204299958 1370436549 /nfs/dbraw/zinc/43/65/49/1370436549.db2.gz GKPRVEPVOMUTEC-UHFFFAOYSA-N 2 1 345.531 3.101 20 30 EGEDMP CCCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115451098 1370459159 /nfs/dbraw/zinc/45/91/59/1370459159.db2.gz ZWMPETWFRVWFKZ-SFHVURJKSA-N 2 1 337.552 3.460 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536771 1370533691 /nfs/dbraw/zinc/53/36/91/1370533691.db2.gz GWWSXYNTOZLMJN-RTBURBONSA-N 2 1 347.547 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573656 1370576755 /nfs/dbraw/zinc/57/67/55/1370576755.db2.gz SJQXDHXEXHESQC-QGZVFWFLSA-N 2 1 344.503 3.135 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611399 1370610477 /nfs/dbraw/zinc/61/04/77/1370610477.db2.gz GPHYUEYPLPNFEG-IBGZPJMESA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462410 1370763451 /nfs/dbraw/zinc/76/34/51/1370763451.db2.gz XFOYOEWBONKWEV-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@@H]1C[NH3+] ZINC001206004130 1370935666 /nfs/dbraw/zinc/93/56/66/1370935666.db2.gz QPCQKGXBJDVLRS-CHWSQXEVSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@@H]1C[NH3+] ZINC001206004130 1370935667 /nfs/dbraw/zinc/93/56/67/1370935667.db2.gz QPCQKGXBJDVLRS-CHWSQXEVSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206948071 1371240725 /nfs/dbraw/zinc/24/07/25/1371240725.db2.gz TYTDHOWPPUVTIH-KDURUIRLSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120366309 1371550291 /nfs/dbraw/zinc/55/02/91/1371550291.db2.gz YTZYZUXSTCAKCH-ROUUACIJSA-N 2 1 344.503 3.012 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013104 1371567401 /nfs/dbraw/zinc/56/74/01/1371567401.db2.gz AESBJKGUZZNTKQ-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC1(C[NH+](C)C)CCCC1)C2 ZINC001208185077 1371627272 /nfs/dbraw/zinc/62/72/72/1371627272.db2.gz IYZMNNOBWVSOSG-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH+](CC)CC1)[C@@H]2CC ZINC001208596496 1371834932 /nfs/dbraw/zinc/83/49/32/1371834932.db2.gz QXWPGIMOBMGJND-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604545 1371838010 /nfs/dbraw/zinc/83/80/10/1371838010.db2.gz INIZESJUFSCHSU-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604545 1371838014 /nfs/dbraw/zinc/83/80/14/1371838014.db2.gz INIZESJUFSCHSU-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604545 1371838017 /nfs/dbraw/zinc/83/80/17/1371838017.db2.gz INIZESJUFSCHSU-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103539 1371855176 /nfs/dbraw/zinc/85/51/76/1371855176.db2.gz XQFJOEHDMXKQSD-CGAYHSHTSA-N 2 1 347.547 3.231 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121134061 1371863144 /nfs/dbraw/zinc/86/31/44/1371863144.db2.gz RDOKHXUSQKGGTR-DTTFFNRZSA-N 2 1 347.547 3.088 20 30 EGEDMP C=CCCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001209201146 1372035718 /nfs/dbraw/zinc/03/57/18/1372035718.db2.gz VRCDIWDFSLXPNO-HXUWFJFHSA-N 2 1 343.515 3.493 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772866 1372076474 /nfs/dbraw/zinc/07/64/74/1372076474.db2.gz JCAPATYYZUIGIJ-PMRGXDQWSA-N 2 1 347.547 3.092 20 30 EGEDMP C=CCCCCCC[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001209435219 1372105389 /nfs/dbraw/zinc/10/53/89/1372105389.db2.gz GKQOHFDRHGIOOI-UHFFFAOYSA-N 2 1 330.520 3.474 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CCC)C2)C1 ZINC001122106928 1372176186 /nfs/dbraw/zinc/17/61/86/1372176186.db2.gz WDOUZFYHUSZERC-UHFFFAOYSA-N 2 1 337.552 3.316 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001122186093 1372196448 /nfs/dbraw/zinc/19/64/48/1372196448.db2.gz HNMMUMQWMFNDMF-UHFFFAOYSA-N 2 1 346.519 3.179 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584903 1372384981 /nfs/dbraw/zinc/38/49/81/1372384981.db2.gz MKRHNPPYOUVRHZ-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP Cc1c(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccc2c1CC[NH2+]C2 ZINC001218336389 1373599301 /nfs/dbraw/zinc/59/93/01/1373599301.db2.gz HAIWLVYYHKUHSQ-HXUWFJFHSA-N 2 1 347.462 3.166 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221544013 1373778936 /nfs/dbraw/zinc/77/89/36/1373778936.db2.gz JXFLGNZRYYQWLR-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544013 1373778938 /nfs/dbraw/zinc/77/89/38/1373778938.db2.gz JXFLGNZRYYQWLR-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544013 1373778942 /nfs/dbraw/zinc/77/89/42/1373778942.db2.gz JXFLGNZRYYQWLR-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111384 1375152950 /nfs/dbraw/zinc/15/29/50/1375152950.db2.gz QJIQLUYKNIAEFX-QZTJIDSGSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132111384 1375152954 /nfs/dbraw/zinc/15/29/54/1375152954.db2.gz QJIQLUYKNIAEFX-QZTJIDSGSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132111384 1375152958 /nfs/dbraw/zinc/15/29/58/1375152958.db2.gz QJIQLUYKNIAEFX-QZTJIDSGSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183412 1375192980 /nfs/dbraw/zinc/19/29/80/1375192980.db2.gz ONCPLBNVLWXUCZ-FUHWJXTLSA-N 2 1 334.508 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183412 1375192983 /nfs/dbraw/zinc/19/29/83/1375192983.db2.gz ONCPLBNVLWXUCZ-FUHWJXTLSA-N 2 1 334.508 3.131 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211715 1375211776 /nfs/dbraw/zinc/21/17/76/1375211776.db2.gz QMMYFFHCYSCUGZ-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248921 1375243834 /nfs/dbraw/zinc/24/38/34/1375243834.db2.gz KNRGCYUZQKEDGX-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132264825 1375254097 /nfs/dbraw/zinc/25/40/97/1375254097.db2.gz CADCSPJRGWWVMU-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419557 1375366392 /nfs/dbraw/zinc/36/63/92/1375366392.db2.gz DTJRLURHMHQLEG-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001132523885 1375439374 /nfs/dbraw/zinc/43/93/74/1375439374.db2.gz BLDKOYGCIGALHI-XLIONFOSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147922 1375807986 /nfs/dbraw/zinc/80/79/86/1375807986.db2.gz YMOQVZXXUUISSQ-MSOLQXFVSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133224430 1375853185 /nfs/dbraw/zinc/85/31/85/1375853185.db2.gz BUILYDZVUZLPJT-MOPGFXCFSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001230581157 1376084962 /nfs/dbraw/zinc/08/49/62/1376084962.db2.gz VVEKEYWWHJMGRB-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001231619835 1376283139 /nfs/dbraw/zinc/28/31/39/1376283139.db2.gz JVHXDMXBDQNOKI-RBUKOAKNSA-N 2 1 327.472 3.406 20 30 EGEDMP COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001231619835 1376283142 /nfs/dbraw/zinc/28/31/42/1376283142.db2.gz JVHXDMXBDQNOKI-RBUKOAKNSA-N 2 1 327.472 3.406 20 30 EGEDMP COc1cc(C#N)ccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001231619835 1376283146 /nfs/dbraw/zinc/28/31/46/1376283146.db2.gz JVHXDMXBDQNOKI-RBUKOAKNSA-N 2 1 327.472 3.406 20 30 EGEDMP COc1cc(C#N)ccc1C[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001231619835 1376283152 /nfs/dbraw/zinc/28/31/52/1376283152.db2.gz JVHXDMXBDQNOKI-RBUKOAKNSA-N 2 1 327.472 3.406 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077090 1376881298 /nfs/dbraw/zinc/88/12/98/1376881298.db2.gz LDFLOYLCWCBJEH-JKSUJKDBSA-N 2 1 343.943 3.266 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691621 1377185353 /nfs/dbraw/zinc/18/53/53/1377185353.db2.gz XREIHGGXIWWWHI-ZWKOTPCHSA-N 2 1 325.541 3.338 20 30 EGEDMP C#CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCCC)CC2)cc1OC ZINC001138348265 1377707367 /nfs/dbraw/zinc/70/73/67/1377707367.db2.gz QERSDFAAEAXUBP-UHFFFAOYSA-N 2 1 344.499 3.404 20 30 EGEDMP C#CCOc1ccc(C[N@H+](C)C2CC[NH+](CCCC)CC2)cc1OC ZINC001138348265 1377707371 /nfs/dbraw/zinc/70/73/71/1377707371.db2.gz QERSDFAAEAXUBP-UHFFFAOYSA-N 2 1 344.499 3.404 20 30 EGEDMP Cc1cnccc1O[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140117023 1378011958 /nfs/dbraw/zinc/01/19/58/1378011958.db2.gz KJDAFWQADQYBHB-QGZVFWFLSA-N 2 1 332.407 3.396 20 30 EGEDMP N#Cc1cncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001144085770 1378682109 /nfs/dbraw/zinc/68/21/09/1378682109.db2.gz FQJWWWNRNBMPBD-FCHUYYIVSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001144085770 1378682111 /nfs/dbraw/zinc/68/21/11/1378682111.db2.gz FQJWWWNRNBMPBD-FCHUYYIVSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001144085770 1378682112 /nfs/dbraw/zinc/68/21/12/1378682112.db2.gz FQJWWWNRNBMPBD-FCHUYYIVSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144169653 1378692374 /nfs/dbraw/zinc/69/23/74/1378692374.db2.gz QEXXKBFJLGAFPB-SFTDATJTSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144169653 1378692377 /nfs/dbraw/zinc/69/23/77/1378692377.db2.gz QEXXKBFJLGAFPB-SFTDATJTSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)nc1 ZINC001144169653 1378692381 /nfs/dbraw/zinc/69/23/81/1378692381.db2.gz QEXXKBFJLGAFPB-SFTDATJTSA-N 2 1 346.478 3.297 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147541183 1379039586 /nfs/dbraw/zinc/03/95/86/1379039586.db2.gz LFRWXVDXPIPWDD-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541183 1379039590 /nfs/dbraw/zinc/03/95/90/1379039590.db2.gz LFRWXVDXPIPWDD-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147541183 1379039593 /nfs/dbraw/zinc/03/95/93/1379039593.db2.gz LFRWXVDXPIPWDD-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990426 1380171499 /nfs/dbraw/zinc/17/14/99/1380171499.db2.gz FIYARAJZEXEBOD-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155838895 1380498030 /nfs/dbraw/zinc/49/80/30/1380498030.db2.gz GQAFNAKDJHTEJB-QGZVFWFLSA-N 2 1 331.504 3.155 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132747 1380782875 /nfs/dbraw/zinc/78/28/75/1380782875.db2.gz OALYUQQKLDHIQP-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157132747 1380782878 /nfs/dbraw/zinc/78/28/78/1380782878.db2.gz OALYUQQKLDHIQP-MJGOQNOKSA-N 2 1 331.504 3.082 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132746 1380783322 /nfs/dbraw/zinc/78/33/22/1380783322.db2.gz OALYUQQKLDHIQP-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132746 1380783328 /nfs/dbraw/zinc/78/33/28/1380783328.db2.gz OALYUQQKLDHIQP-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701859 1381007672 /nfs/dbraw/zinc/00/76/72/1381007672.db2.gz JUCUYKWAUZFHIU-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157701859 1381007674 /nfs/dbraw/zinc/00/76/74/1381007674.db2.gz JUCUYKWAUZFHIU-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157701859 1381007680 /nfs/dbraw/zinc/00/76/80/1381007680.db2.gz JUCUYKWAUZFHIU-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001157958474 1381082962 /nfs/dbraw/zinc/08/29/62/1381082962.db2.gz UVFMBWUKUKOADU-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001157958474 1381082966 /nfs/dbraw/zinc/08/29/66/1381082966.db2.gz UVFMBWUKUKOADU-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001157958474 1381082971 /nfs/dbraw/zinc/08/29/71/1381082971.db2.gz UVFMBWUKUKOADU-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158062047 1381116509 /nfs/dbraw/zinc/11/65/09/1381116509.db2.gz YIKXAPUYQSSHAP-MSOLQXFVSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158062047 1381116513 /nfs/dbraw/zinc/11/65/13/1381116513.db2.gz YIKXAPUYQSSHAP-MSOLQXFVSA-N 2 1 344.503 3.040 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001158356960 1381215676 /nfs/dbraw/zinc/21/56/76/1381215676.db2.gz XSICHEQGSJBNNA-KRWDZBQOSA-N 2 1 336.524 3.463 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158554714 1381296402 /nfs/dbraw/zinc/29/64/02/1381296402.db2.gz MNTCFIDAPZTVME-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158554714 1381296404 /nfs/dbraw/zinc/29/64/04/1381296404.db2.gz MNTCFIDAPZTVME-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161213882 1382344817 /nfs/dbraw/zinc/34/48/17/1382344817.db2.gz NKCNWRFYKSLPAH-IBGZPJMESA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161930690 1382558471 /nfs/dbraw/zinc/55/84/71/1382558471.db2.gz HIOXHJJILONDGT-LJQANCHMSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001163333373 1383024172 /nfs/dbraw/zinc/02/41/72/1383024172.db2.gz RGJUFQBPQFJSAA-HBMCJLEFSA-N 2 1 341.499 3.333 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236245 1383571663 /nfs/dbraw/zinc/57/16/63/1383571663.db2.gz IQOSYNZPEIXETO-MSOLQXFVSA-N 2 1 337.552 3.031 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168346233 1383880475 /nfs/dbraw/zinc/88/04/75/1383880475.db2.gz YIUZEVLHJJQPAV-IBGZPJMESA-N 2 1 343.515 3.132 20 30 EGEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168501511 1383925857 /nfs/dbraw/zinc/92/58/57/1383925857.db2.gz RRERLVAROVHRJD-LJQANCHMSA-N 2 1 345.506 3.048 20 30 EGEDMP N#CCc1cc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001170333878 1384293818 /nfs/dbraw/zinc/29/38/18/1384293818.db2.gz XLKRVBHSQXRNAS-MZADTFQBSA-N 2 1 332.451 3.177 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171237553 1384476753 /nfs/dbraw/zinc/47/67/53/1384476753.db2.gz QVYWVKZARKBWOJ-OALUTQOASA-N 2 1 337.552 3.195 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172304664 1384764497 /nfs/dbraw/zinc/76/44/97/1384764497.db2.gz OSVXBVKFIVXVQF-MRXNPFEDSA-N 2 1 334.467 3.432 20 30 EGEDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319328 1384768890 /nfs/dbraw/zinc/76/88/90/1384768890.db2.gz MVGMWUMPHZFGEZ-UTKZUKDTSA-N 2 1 341.499 3.064 20 30 EGEDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319328 1384768895 /nfs/dbraw/zinc/76/88/95/1384768895.db2.gz MVGMWUMPHZFGEZ-UTKZUKDTSA-N 2 1 341.499 3.064 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262176 1385232685 /nfs/dbraw/zinc/23/26/85/1385232685.db2.gz COZVZMLJNWFCLV-RTBURBONSA-N 2 1 337.552 3.339 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175527999 1385321331 /nfs/dbraw/zinc/32/13/31/1385321331.db2.gz AICCBWQDISGXOS-OAHLLOKOSA-N 2 1 340.899 3.024 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176167329 1385501050 /nfs/dbraw/zinc/50/10/50/1385501050.db2.gz XWDKNNVANIEOGM-RBUKOAKNSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179593173 1386526591 /nfs/dbraw/zinc/52/65/91/1386526591.db2.gz YNILXJKGJMWNFE-GOSISDBHSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614634 1387197067 /nfs/dbraw/zinc/19/70/67/1387197067.db2.gz LRHOINHQOVNPND-SFHLNBCPSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001484560997 1395445978 /nfs/dbraw/zinc/44/59/78/1395445978.db2.gz KJEOJSFUSTWGAR-APWZRJJASA-N 2 1 329.488 3.014 20 30 EGEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001752508261 1440189721 /nfs/dbraw/zinc/18/97/21/1440189721.db2.gz PMRSSAGSZTYGNH-MSOLQXFVSA-N 2 1 346.519 3.143 20 30 EGEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001752508261 1440189722 /nfs/dbraw/zinc/18/97/22/1440189722.db2.gz PMRSSAGSZTYGNH-MSOLQXFVSA-N 2 1 346.519 3.143 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752828454 1440224590 /nfs/dbraw/zinc/22/45/90/1440224590.db2.gz XZUHZFDESVEOIT-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001753001440 1440264754 /nfs/dbraw/zinc/26/47/54/1440264754.db2.gz ZZNCOHOKJHJGPQ-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001753001440 1440264755 /nfs/dbraw/zinc/26/47/55/1440264755.db2.gz ZZNCOHOKJHJGPQ-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753001440 1440264756 /nfs/dbraw/zinc/26/47/56/1440264756.db2.gz ZZNCOHOKJHJGPQ-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753001440 1440264757 /nfs/dbraw/zinc/26/47/57/1440264757.db2.gz ZZNCOHOKJHJGPQ-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001753749822 1440482117 /nfs/dbraw/zinc/48/21/17/1440482117.db2.gz QVYKZBDEBIMEMB-MOPGFXCFSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@@H]21 ZINC001753872883 1440517899 /nfs/dbraw/zinc/51/78/99/1440517899.db2.gz PJGKTKWXQKZSKN-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001753872883 1440517900 /nfs/dbraw/zinc/51/79/00/1440517900.db2.gz PJGKTKWXQKZSKN-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@@H]21 ZINC001753872883 1440517901 /nfs/dbraw/zinc/51/79/01/1440517901.db2.gz PJGKTKWXQKZSKN-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001754542724 1440626434 /nfs/dbraw/zinc/62/64/34/1440626434.db2.gz BISSLPSAMLQGCC-OTWHNJEPSA-N 2 1 345.531 3.035 20 30 EGEDMP CCCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001754547185 1440628178 /nfs/dbraw/zinc/62/81/78/1440628178.db2.gz SKFVDWAMOYQGAM-XUBOLADHSA-N 2 1 349.563 3.410 20 30 EGEDMP C=CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCCC1 ZINC001754547694 1440628314 /nfs/dbraw/zinc/62/83/14/1440628314.db2.gz NJZYFNKRVIFLCX-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001754568117 1440636602 /nfs/dbraw/zinc/63/66/02/1440636602.db2.gz ADEBZKZKQQKPEN-OAQYLSRUSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001754626421 1440646504 /nfs/dbraw/zinc/64/65/04/1440646504.db2.gz BSYFVCYNXBZKPW-FGTMMUONSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001754868465 1440704111 /nfs/dbraw/zinc/70/41/11/1440704111.db2.gz LPCDVAQNOOWTRV-OALUTQOASA-N 2 1 344.503 3.003 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001754868465 1440704112 /nfs/dbraw/zinc/70/41/12/1440704112.db2.gz LPCDVAQNOOWTRV-OALUTQOASA-N 2 1 344.503 3.003 20 30 EGEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001754948953 1440714465 /nfs/dbraw/zinc/71/44/65/1440714465.db2.gz SNAPYVASGIWKEB-PXNSSMCTSA-N 2 1 343.515 3.402 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755028966 1440730353 /nfs/dbraw/zinc/73/03/53/1440730353.db2.gz KIKJRWTUBVGUSB-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001755028966 1440730354 /nfs/dbraw/zinc/73/03/54/1440730354.db2.gz KIKJRWTUBVGUSB-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001755028966 1440730355 /nfs/dbraw/zinc/73/03/55/1440730355.db2.gz KIKJRWTUBVGUSB-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755036335 1440734613 /nfs/dbraw/zinc/73/46/13/1440734613.db2.gz BXFHGOZSLFUZLH-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755036335 1440734614 /nfs/dbraw/zinc/73/46/14/1440734614.db2.gz BXFHGOZSLFUZLH-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755036335 1440734615 /nfs/dbraw/zinc/73/46/15/1440734615.db2.gz BXFHGOZSLFUZLH-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001755069561 1440746051 /nfs/dbraw/zinc/74/60/51/1440746051.db2.gz YVVJZDVTJLBLRX-KRWDZBQOSA-N 2 1 346.519 3.334 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001755200932 1440779576 /nfs/dbraw/zinc/77/95/76/1440779576.db2.gz MDANGWDJNRUZNT-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001755200932 1440779577 /nfs/dbraw/zinc/77/95/77/1440779577.db2.gz MDANGWDJNRUZNT-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001755200932 1440779578 /nfs/dbraw/zinc/77/95/78/1440779578.db2.gz MDANGWDJNRUZNT-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245713928 455362974 /nfs/dbraw/zinc/36/29/74/455362974.db2.gz GMLXDYUQHRWEIP-PKOBYXMFSA-N 2 1 327.472 3.428 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245713928 455362976 /nfs/dbraw/zinc/36/29/76/455362976.db2.gz GMLXDYUQHRWEIP-PKOBYXMFSA-N 2 1 327.472 3.428 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)C1 ZINC000190764993 455379285 /nfs/dbraw/zinc/37/92/85/455379285.db2.gz ABZYJEKJMXVTMX-QGZVFWFLSA-N 2 1 336.483 3.418 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000057969813 454158373 /nfs/dbraw/zinc/15/83/73/454158373.db2.gz RIASLYRZNVEDBP-SFHVURJKSA-N 2 1 332.488 3.470 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)C[C@H](C)O1 ZINC000047609582 454389979 /nfs/dbraw/zinc/38/99/79/454389979.db2.gz RKQJVHURAMXVPA-HDICACEKSA-N 2 1 349.478 3.457 20 30 EGEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000104179680 454576298 /nfs/dbraw/zinc/57/62/98/454576298.db2.gz KTUHARMCFMZBQW-LBPRGKRZSA-N 2 1 344.381 3.044 20 30 EGEDMP Cc1cc2ncn(C[C@H](O)CN(CCC#N)CC(C)(C)C)c2cc1C ZINC000111250661 454858982 /nfs/dbraw/zinc/85/89/82/454858982.db2.gz BHADVSOTIBGZHR-QGZVFWFLSA-N 2 1 342.487 3.276 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C ZINC000156449677 455119724 /nfs/dbraw/zinc/11/97/24/455119724.db2.gz LLPRHIMDKIQQNC-DNVCBOLYSA-N 2 1 340.471 3.253 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246088170 455423938 /nfs/dbraw/zinc/42/39/38/455423938.db2.gz IKTPXFJECHYCMI-MMOPVJDHSA-N 2 1 339.483 3.426 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246088170 455423943 /nfs/dbraw/zinc/42/39/43/455423943.db2.gz IKTPXFJECHYCMI-MMOPVJDHSA-N 2 1 339.483 3.426 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000247082621 455556922 /nfs/dbraw/zinc/55/69/22/455556922.db2.gz NOQLDGLEBYOEIH-ZWOKBUDYSA-N 2 1 329.488 3.346 20 30 EGEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247930233 455656500 /nfs/dbraw/zinc/65/65/00/455656500.db2.gz BXVXQYQLFPDFDS-ACRUOGEOSA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247930233 455656504 /nfs/dbraw/zinc/65/65/04/455656504.db2.gz BXVXQYQLFPDFDS-ACRUOGEOSA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247930233 455656507 /nfs/dbraw/zinc/65/65/07/455656507.db2.gz BXVXQYQLFPDFDS-ACRUOGEOSA-N 2 1 328.500 3.300 20 30 EGEDMP CC(C)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000285599790 455879477 /nfs/dbraw/zinc/87/94/77/455879477.db2.gz JQFCXXJKOCDOBG-NRFANRHFSA-N 2 1 340.515 3.237 20 30 EGEDMP CC(C)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000285599794 455879775 /nfs/dbraw/zinc/87/97/75/455879775.db2.gz JQFCXXJKOCDOBG-OAQYLSRUSA-N 2 1 340.515 3.237 20 30 EGEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000261965232 455978987 /nfs/dbraw/zinc/97/89/87/455978987.db2.gz AZCCJPOIXQMEQC-UHFFFAOYSA-N 2 1 347.528 3.225 20 30 EGEDMP Cn1ccnc1[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000329440556 456890268 /nfs/dbraw/zinc/89/02/68/456890268.db2.gz JXHVSRXPJORFIQ-SJLPKXTDSA-N 2 1 348.491 3.109 20 30 EGEDMP C=CC[C@@H]1[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CCCC1(C)C ZINC000444783999 457977776 /nfs/dbraw/zinc/97/77/76/457977776.db2.gz MLLGIRPCDVATPM-SFHVURJKSA-N 2 1 335.536 3.042 20 30 EGEDMP N#CC1(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000375600678 457986003 /nfs/dbraw/zinc/98/60/03/457986003.db2.gz ZGULYWXSSNJTOO-IEBWSBKVSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000375600678 457986005 /nfs/dbraw/zinc/98/60/05/457986005.db2.gz ZGULYWXSSNJTOO-IEBWSBKVSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000375600678 457986013 /nfs/dbraw/zinc/98/60/13/457986013.db2.gz ZGULYWXSSNJTOO-IEBWSBKVSA-N 2 1 331.504 3.036 20 30 EGEDMP C=CCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000467296421 458966428 /nfs/dbraw/zinc/96/64/28/458966428.db2.gz DFAJMQZDDNBOPB-GOSISDBHSA-N 2 1 349.906 3.101 20 30 EGEDMP C=CCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000467296421 458966431 /nfs/dbraw/zinc/96/64/31/458966431.db2.gz DFAJMQZDDNBOPB-GOSISDBHSA-N 2 1 349.906 3.101 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000577171625 458990559 /nfs/dbraw/zinc/99/05/59/458990559.db2.gz AAQLYIRZSJDZBG-UHFFFAOYSA-N 2 1 335.879 3.299 20 30 EGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000611392258 460354146 /nfs/dbraw/zinc/35/41/46/460354146.db2.gz OWKDNYDDGMUMAJ-FQEVSTJZSA-N 2 1 339.483 3.170 20 30 EGEDMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807467 460468221 /nfs/dbraw/zinc/46/82/21/460468221.db2.gz MFJULNQREALRON-VGSWGCGISA-N 2 1 349.478 3.333 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000738228439 576302697 /nfs/dbraw/zinc/30/26/97/576302697.db2.gz VFSOFLFOSXANGU-OAHLLOKOSA-N 2 1 330.501 3.155 20 30 EGEDMP C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000738228439 576302699 /nfs/dbraw/zinc/30/26/99/576302699.db2.gz VFSOFLFOSXANGU-OAHLLOKOSA-N 2 1 330.501 3.155 20 30 EGEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000104180793 1293019871 /nfs/dbraw/zinc/01/98/71/1293019871.db2.gz DAAHHDWFCOTLNC-HZPDHXFCSA-N 2 1 334.533 3.007 20 30 EGEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160710612 1294274852 /nfs/dbraw/zinc/27/48/52/1294274852.db2.gz VMVKIJDOROLORZ-NSHDSACASA-N 2 1 332.370 3.042 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c(OC)c1 ZINC000164409272 1294348004 /nfs/dbraw/zinc/34/80/04/1294348004.db2.gz BTQOORRWSCNVPG-SFHVURJKSA-N 2 1 344.499 3.437 20 30 EGEDMP C#CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183100002 1295097649 /nfs/dbraw/zinc/09/76/49/1295097649.db2.gz UBMGXVIJOWRHIC-MJGOQNOKSA-N 2 1 326.484 3.441 20 30 EGEDMP C[C@@H]1CCC[N@@H+](CCCC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000303899808 1296873625 /nfs/dbraw/zinc/87/36/25/1296873625.db2.gz RTRVWZFSZCAYEF-GOSISDBHSA-N 2 1 330.520 3.206 20 30 EGEDMP C[C@@]1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311840347 1297110557 /nfs/dbraw/zinc/11/05/57/1297110557.db2.gz UFHUUMGMUXKREG-VXKWHMMOSA-N 2 1 349.478 3.093 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000815652555 1319037457 /nfs/dbraw/zinc/03/74/57/1319037457.db2.gz HXFKQRWKSMNQRO-ZDUSSCGKSA-N 2 1 339.277 3.069 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000815652555 1319037467 /nfs/dbraw/zinc/03/74/67/1319037467.db2.gz HXFKQRWKSMNQRO-ZDUSSCGKSA-N 2 1 339.277 3.069 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961374988 1319530899 /nfs/dbraw/zinc/53/08/99/1319530899.db2.gz NITRAVYPXFDCOL-PMACEKPBSA-N 2 1 349.563 3.099 20 30 EGEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819079831 1319628675 /nfs/dbraw/zinc/62/86/75/1319628675.db2.gz WXFYCCWJNOLKPP-VGOFRKELSA-N 2 1 349.478 3.407 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763089 1319909411 /nfs/dbraw/zinc/90/94/11/1319909411.db2.gz CHPQSGMRQCZDPQ-SFHVURJKSA-N 2 1 343.515 3.156 20 30 EGEDMP N#CCCC[C@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000822765623 1320121894 /nfs/dbraw/zinc/12/18/94/1320121894.db2.gz BEIPINRKUDYLDU-INIZCTEOSA-N 2 1 325.416 3.026 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000850470519 1322255169 /nfs/dbraw/zinc/25/51/69/1322255169.db2.gz CEKWLQQAFTZLPW-INIZCTEOSA-N 2 1 340.467 3.463 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000850470519 1322255173 /nfs/dbraw/zinc/25/51/73/1322255173.db2.gz CEKWLQQAFTZLPW-INIZCTEOSA-N 2 1 340.467 3.463 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479177 1323431485 /nfs/dbraw/zinc/43/14/85/1323431485.db2.gz BALQZSTZSPKQJJ-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479177 1323431490 /nfs/dbraw/zinc/43/14/90/1323431490.db2.gz BALQZSTZSPKQJJ-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479177 1323431495 /nfs/dbraw/zinc/43/14/95/1323431495.db2.gz BALQZSTZSPKQJJ-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586072 1324427815 /nfs/dbraw/zinc/42/78/15/1324427815.db2.gz VRPFVJSJNTYKRM-QUCCMNQESA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025627618 1324478531 /nfs/dbraw/zinc/47/85/31/1324478531.db2.gz ADHQUIRQZWDUPZ-ZWKOTPCHSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948373330 1333499550 /nfs/dbraw/zinc/49/95/50/1333499550.db2.gz MNQXKSPHKUYIKN-SFHVURJKSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829814 1333702045 /nfs/dbraw/zinc/70/20/45/1333702045.db2.gz WXTLRDBEPUEIMX-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829814 1333702049 /nfs/dbraw/zinc/70/20/49/1333702049.db2.gz WXTLRDBEPUEIMX-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829814 1333702051 /nfs/dbraw/zinc/70/20/51/1333702051.db2.gz WXTLRDBEPUEIMX-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100710 1336142998 /nfs/dbraw/zinc/14/29/98/1336142998.db2.gz GAMWNUVQLJFHJJ-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719496 1336335738 /nfs/dbraw/zinc/33/57/38/1336335738.db2.gz RZWIPMZNMJSLTP-HKUYNNGSSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862257 1338751304 /nfs/dbraw/zinc/75/13/04/1338751304.db2.gz UYPQNFACVAENFX-OALUTQOASA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210587 1342320295 /nfs/dbraw/zinc/32/02/95/1342320295.db2.gz IAUYMLUHOWRCIE-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210587 1342320297 /nfs/dbraw/zinc/32/02/97/1342320297.db2.gz IAUYMLUHOWRCIE-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210587 1342320301 /nfs/dbraw/zinc/32/03/01/1342320301.db2.gz IAUYMLUHOWRCIE-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210989 1342320845 /nfs/dbraw/zinc/32/08/45/1342320845.db2.gz JYBXJONIKQGHJL-GOSISDBHSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360363 1342432138 /nfs/dbraw/zinc/43/21/38/1342432138.db2.gz HWPIFGSKZQAXLI-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360363 1342432144 /nfs/dbraw/zinc/43/21/44/1342432144.db2.gz HWPIFGSKZQAXLI-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360363 1342432147 /nfs/dbraw/zinc/43/21/47/1342432147.db2.gz HWPIFGSKZQAXLI-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545133 1342606533 /nfs/dbraw/zinc/60/65/33/1342606533.db2.gz PJNCKTYVVVDZKX-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035259955 1343086783 /nfs/dbraw/zinc/08/67/83/1343086783.db2.gz KDBVDKGKLRIYQV-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035259955 1343086789 /nfs/dbraw/zinc/08/67/89/1343086789.db2.gz KDBVDKGKLRIYQV-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035259955 1343086794 /nfs/dbraw/zinc/08/67/94/1343086794.db2.gz KDBVDKGKLRIYQV-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357952 1345709787 /nfs/dbraw/zinc/70/97/87/1345709787.db2.gz JMJUVFPBQCJWOS-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357952 1345709789 /nfs/dbraw/zinc/70/97/89/1345709789.db2.gz JMJUVFPBQCJWOS-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357952 1345709792 /nfs/dbraw/zinc/70/97/92/1345709792.db2.gz JMJUVFPBQCJWOS-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041780652 1345847346 /nfs/dbraw/zinc/84/73/46/1345847346.db2.gz CLVCADXZADHHRC-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041780652 1345847348 /nfs/dbraw/zinc/84/73/48/1345847348.db2.gz CLVCADXZADHHRC-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041780652 1345847351 /nfs/dbraw/zinc/84/73/51/1345847351.db2.gz CLVCADXZADHHRC-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041781842 1345848013 /nfs/dbraw/zinc/84/80/13/1345848013.db2.gz LEOKGKFDGTYSPX-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041781842 1345848014 /nfs/dbraw/zinc/84/80/14/1345848014.db2.gz LEOKGKFDGTYSPX-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041781842 1345848015 /nfs/dbraw/zinc/84/80/15/1345848015.db2.gz LEOKGKFDGTYSPX-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761488 1348006629 /nfs/dbraw/zinc/00/66/29/1348006629.db2.gz KUUBZSYTAZKYCA-QZTJIDSGSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761488 1348006630 /nfs/dbraw/zinc/00/66/30/1348006630.db2.gz KUUBZSYTAZKYCA-QZTJIDSGSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050686789 1348326989 /nfs/dbraw/zinc/32/69/89/1348326989.db2.gz AXLPDPFIIRGTRI-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448334 1348544606 /nfs/dbraw/zinc/54/46/06/1348544606.db2.gz XRAJHNLSZPNWQY-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448334 1348544608 /nfs/dbraw/zinc/54/46/08/1348544608.db2.gz XRAJHNLSZPNWQY-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448334 1348544610 /nfs/dbraw/zinc/54/46/10/1348544610.db2.gz XRAJHNLSZPNWQY-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052516523 1348564131 /nfs/dbraw/zinc/56/41/31/1348564131.db2.gz PEJGJKSSDOTUCF-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516523 1348564132 /nfs/dbraw/zinc/56/41/32/1348564132.db2.gz PEJGJKSSDOTUCF-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516523 1348564133 /nfs/dbraw/zinc/56/41/33/1348564133.db2.gz PEJGJKSSDOTUCF-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955738 1348769771 /nfs/dbraw/zinc/76/97/71/1348769771.db2.gz JLBQQDDTZCVECB-KRWDZBQOSA-N 2 1 349.906 3.085 20 30 EGEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264867 1349262618 /nfs/dbraw/zinc/26/26/18/1349262618.db2.gz UPPWUOZKUILPDD-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264867 1349262622 /nfs/dbraw/zinc/26/26/22/1349262622.db2.gz UPPWUOZKUILPDD-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264867 1349262627 /nfs/dbraw/zinc/26/26/27/1349262627.db2.gz UPPWUOZKUILPDD-FQEVSTJZSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072110166 1355136585 /nfs/dbraw/zinc/13/65/85/1355136585.db2.gz TWTDNPBOGWGXDH-SJORKVTESA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942354 1359264261 /nfs/dbraw/zinc/26/42/61/1359264261.db2.gz OULLLHVOHYWGJO-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431026 1359898822 /nfs/dbraw/zinc/89/88/22/1359898822.db2.gz FRKVWWGQTOPTMQ-UXHICEINSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431027 1359898830 /nfs/dbraw/zinc/89/88/30/1359898830.db2.gz FRKVWWGQTOPTMQ-VQTJNVASSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089386458 1360387457 /nfs/dbraw/zinc/38/74/57/1360387457.db2.gz PPSJUGNBGAHCSH-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400597 1360400104 /nfs/dbraw/zinc/40/01/04/1360400104.db2.gz JWRGFERJBCWFFY-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400597 1360400106 /nfs/dbraw/zinc/40/01/06/1360400106.db2.gz JWRGFERJBCWFFY-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400597 1360400108 /nfs/dbraw/zinc/40/01/08/1360400108.db2.gz JWRGFERJBCWFFY-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430417 1360422312 /nfs/dbraw/zinc/42/23/12/1360422312.db2.gz MTNLIWPNNYQUSE-QGZVFWFLSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089431114 1360422844 /nfs/dbraw/zinc/42/28/44/1360422844.db2.gz ZIQUMLIEEJAHCY-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089560701 1360508386 /nfs/dbraw/zinc/50/83/86/1360508386.db2.gz FFUXFGKMIXOVPI-IBGZPJMESA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089647764 1360560789 /nfs/dbraw/zinc/56/07/89/1360560789.db2.gz ZZWNVQAXKKUVPQ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089647764 1360560790 /nfs/dbraw/zinc/56/07/90/1360560790.db2.gz ZZWNVQAXKKUVPQ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089647764 1360560794 /nfs/dbraw/zinc/56/07/94/1360560794.db2.gz ZZWNVQAXKKUVPQ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662287 1360572468 /nfs/dbraw/zinc/57/24/68/1360572468.db2.gz AXVLVYNOPDLHFW-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662287 1360572470 /nfs/dbraw/zinc/57/24/70/1360572470.db2.gz AXVLVYNOPDLHFW-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662287 1360572471 /nfs/dbraw/zinc/57/24/71/1360572471.db2.gz AXVLVYNOPDLHFW-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116555 1363632740 /nfs/dbraw/zinc/63/27/40/1363632740.db2.gz UHLYWYOLFXIVNQ-ROUUACIJSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001099121146 1363635758 /nfs/dbraw/zinc/63/57/58/1363635758.db2.gz JEVFEUPYNPLJQZ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001099121146 1363635760 /nfs/dbraw/zinc/63/57/60/1363635760.db2.gz JEVFEUPYNPLJQZ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099121146 1363635762 /nfs/dbraw/zinc/63/57/62/1363635762.db2.gz JEVFEUPYNPLJQZ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001099121146 1363635763 /nfs/dbraw/zinc/63/57/63/1363635763.db2.gz JEVFEUPYNPLJQZ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001099324274 1363751230 /nfs/dbraw/zinc/75/12/30/1363751230.db2.gz IQXNQQBDKQWNGZ-RXVVDRJESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001099324274 1363751237 /nfs/dbraw/zinc/75/12/37/1363751237.db2.gz IQXNQQBDKQWNGZ-RXVVDRJESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001099324274 1363751238 /nfs/dbraw/zinc/75/12/38/1363751238.db2.gz IQXNQQBDKQWNGZ-RXVVDRJESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101963304 1364792592 /nfs/dbraw/zinc/79/25/92/1364792592.db2.gz UQVRWCCCKIOWAV-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963304 1364792594 /nfs/dbraw/zinc/79/25/94/1364792594.db2.gz UQVRWCCCKIOWAV-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963304 1364792596 /nfs/dbraw/zinc/79/25/96/1364792596.db2.gz UQVRWCCCKIOWAV-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021571 1364813855 /nfs/dbraw/zinc/81/38/55/1364813855.db2.gz SKYUVDMBVZUKHK-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021571 1364813858 /nfs/dbraw/zinc/81/38/58/1364813858.db2.gz SKYUVDMBVZUKHK-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021571 1364813860 /nfs/dbraw/zinc/81/38/60/1364813860.db2.gz SKYUVDMBVZUKHK-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](CCC)CCC)[C@H](C)C1 ZINC001102507518 1365091987 /nfs/dbraw/zinc/09/19/87/1365091987.db2.gz CUPUGMGTMMVFRE-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213611 1365954357 /nfs/dbraw/zinc/95/43/57/1365954357.db2.gz HHHJTVMUPQJGPG-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104290807 1365977244 /nfs/dbraw/zinc/97/72/44/1365977244.db2.gz DZSULYFWWSUCEZ-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105537560 1366517266 /nfs/dbraw/zinc/51/72/66/1366517266.db2.gz TZNJRWFCPQUTAB-RTBURBONSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105540055 1366519249 /nfs/dbraw/zinc/51/92/49/1366519249.db2.gz YAJWIWJLYMPGJH-IPMKNSEASA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105560848 1366530594 /nfs/dbraw/zinc/53/05/94/1366530594.db2.gz DIJLYHPTLJTDBH-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479529 1366707716 /nfs/dbraw/zinc/70/77/16/1366707716.db2.gz FBGGTJICMKKZEQ-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107454683 1366969049 /nfs/dbraw/zinc/96/90/49/1366969049.db2.gz JTJQHJAPMBAVGA-YLJYHZDGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454683 1366969050 /nfs/dbraw/zinc/96/90/50/1366969050.db2.gz JTJQHJAPMBAVGA-YLJYHZDGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107454683 1366969054 /nfs/dbraw/zinc/96/90/54/1366969054.db2.gz JTJQHJAPMBAVGA-YLJYHZDGSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084053 1367168567 /nfs/dbraw/zinc/16/85/67/1367168567.db2.gz JSZQEXGYEZFKCD-RBUKOAKNSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084053 1367168568 /nfs/dbraw/zinc/16/85/68/1367168568.db2.gz JSZQEXGYEZFKCD-RBUKOAKNSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084053 1367168570 /nfs/dbraw/zinc/16/85/70/1367168570.db2.gz JSZQEXGYEZFKCD-RBUKOAKNSA-N 2 1 337.552 3.362 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190484248 1367273782 /nfs/dbraw/zinc/27/37/82/1367273782.db2.gz VOLYREPTGHHXMS-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190484248 1367273786 /nfs/dbraw/zinc/27/37/86/1367273786.db2.gz VOLYREPTGHHXMS-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190484248 1367273790 /nfs/dbraw/zinc/27/37/90/1367273790.db2.gz VOLYREPTGHHXMS-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844975 1367354151 /nfs/dbraw/zinc/35/41/51/1367354151.db2.gz OPTALVHGOCPLMA-YSHGAJCASA-N 2 1 344.503 3.048 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109844975 1367354155 /nfs/dbraw/zinc/35/41/55/1367354155.db2.gz OPTALVHGOCPLMA-YSHGAJCASA-N 2 1 344.503 3.048 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542706 1367525150 /nfs/dbraw/zinc/52/51/50/1367525150.db2.gz HVJCBUVGOOPYKR-RBUKOAKNSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192324182 1367751729 /nfs/dbraw/zinc/75/17/29/1367751729.db2.gz GEDOVHCMHKDXBP-RBUKOAKNSA-N 2 1 337.552 3.386 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192386961 1367771320 /nfs/dbraw/zinc/77/13/20/1367771320.db2.gz TXAZHOLRZZTENZ-SFHVURJKSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192386961 1367771325 /nfs/dbraw/zinc/77/13/25/1367771325.db2.gz TXAZHOLRZZTENZ-SFHVURJKSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192386961 1367771329 /nfs/dbraw/zinc/77/13/29/1367771329.db2.gz TXAZHOLRZZTENZ-SFHVURJKSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111307800 1368262572 /nfs/dbraw/zinc/26/25/72/1368262572.db2.gz YHEZPDJHXBLOFF-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307800 1368262576 /nfs/dbraw/zinc/26/25/76/1368262576.db2.gz YHEZPDJHXBLOFF-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307800 1368262582 /nfs/dbraw/zinc/26/25/82/1368262582.db2.gz YHEZPDJHXBLOFF-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060537 1368542160 /nfs/dbraw/zinc/54/21/60/1368542160.db2.gz YZBZGLOYNTVGNK-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060537 1368542164 /nfs/dbraw/zinc/54/21/64/1368542164.db2.gz YZBZGLOYNTVGNK-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060537 1368542166 /nfs/dbraw/zinc/54/21/66/1368542166.db2.gz YZBZGLOYNTVGNK-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001111937982 1368567614 /nfs/dbraw/zinc/56/76/14/1368567614.db2.gz FZDGGOCKMPEBFC-ZJOUEHCJSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001111937982 1368567618 /nfs/dbraw/zinc/56/76/18/1368567618.db2.gz FZDGGOCKMPEBFC-ZJOUEHCJSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111937982 1368567622 /nfs/dbraw/zinc/56/76/22/1368567622.db2.gz FZDGGOCKMPEBFC-ZJOUEHCJSA-N 2 1 349.563 3.269 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949176 1368571312 /nfs/dbraw/zinc/57/13/12/1368571312.db2.gz RAOCKGBVVDVOTI-HBFSDRIKSA-N 2 1 335.536 3.044 20 30 EGEDMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001196936838 1368717457 /nfs/dbraw/zinc/71/74/57/1368717457.db2.gz VLIXYDOOWCRGQM-LEWJYISDSA-N 2 1 341.499 3.178 20 30 EGEDMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001196936838 1368717460 /nfs/dbraw/zinc/71/74/60/1368717460.db2.gz VLIXYDOOWCRGQM-LEWJYISDSA-N 2 1 341.499 3.178 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112382367 1368810339 /nfs/dbraw/zinc/81/03/39/1368810339.db2.gz UJRLIVOBMMVSDR-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CCCN(C(=O)CCC[NH+](CCC)CCC)CC1 ZINC001197795527 1368899066 /nfs/dbraw/zinc/89/90/66/1368899066.db2.gz XHUIDFIIYXZZLX-UHFFFAOYSA-N 2 1 337.552 3.389 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259916 1368992262 /nfs/dbraw/zinc/99/22/62/1368992262.db2.gz UEZNXDLAKDHICH-QUCCMNQESA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259916 1368992263 /nfs/dbraw/zinc/99/22/63/1368992263.db2.gz UEZNXDLAKDHICH-QUCCMNQESA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401414 1369399535 /nfs/dbraw/zinc/39/95/35/1369399535.db2.gz AQLMVXIYUXRARV-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201817717 1369628093 /nfs/dbraw/zinc/62/80/93/1369628093.db2.gz DBQPDJILXPWASN-UHFFFAOYSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203506740 1370148304 /nfs/dbraw/zinc/14/83/04/1370148304.db2.gz LEVUSOGRSMYZQN-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203649499 1370200613 /nfs/dbraw/zinc/20/06/13/1370200613.db2.gz BKYDFXZSNDEDGX-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791692 1370265972 /nfs/dbraw/zinc/26/59/72/1370265972.db2.gz KDQHBWQXXWKLNB-ROUUACIJSA-N 2 1 337.552 3.314 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450712 1370459186 /nfs/dbraw/zinc/45/91/86/1370459186.db2.gz LNIKJIXIIBCDMD-SFHVURJKSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420044 1370749574 /nfs/dbraw/zinc/74/95/74/1370749574.db2.gz AWZYSRZEPVKPCH-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483725 1370769431 /nfs/dbraw/zinc/76/94/31/1370769431.db2.gz OTHDZMRIRLZMAC-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206003103 1370934341 /nfs/dbraw/zinc/93/43/41/1370934341.db2.gz DSSWLSNVDVJNOI-QWHCGFSZSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206002900 1370934757 /nfs/dbraw/zinc/93/47/57/1370934757.db2.gz CJWMWDCLRDNBRX-TZMCWYRMSA-N 2 1 336.277 3.128 20 30 EGEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cn2)cc1 ZINC001206622487 1371111720 /nfs/dbraw/zinc/11/17/20/1371111720.db2.gz CWYHNHYPIGPFBV-QGZVFWFLSA-N 2 1 336.439 3.306 20 30 EGEDMP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)cn2)cc1 ZINC001206622487 1371111723 /nfs/dbraw/zinc/11/17/23/1371111723.db2.gz CWYHNHYPIGPFBV-QGZVFWFLSA-N 2 1 336.439 3.306 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001206954228 1371243371 /nfs/dbraw/zinc/24/33/71/1371243371.db2.gz AHLBWABTZXQSPV-UHFFFAOYSA-N 2 1 325.541 3.125 20 30 EGEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC001207108968 1371296082 /nfs/dbraw/zinc/29/60/82/1371296082.db2.gz QORBRPCGHLYNCL-NHCUHLMSSA-N 2 1 348.494 3.241 20 30 EGEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC001207108968 1371296085 /nfs/dbraw/zinc/29/60/85/1371296085.db2.gz QORBRPCGHLYNCL-NHCUHLMSSA-N 2 1 348.494 3.241 20 30 EGEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC001207108968 1371296088 /nfs/dbraw/zinc/29/60/88/1371296088.db2.gz QORBRPCGHLYNCL-NHCUHLMSSA-N 2 1 348.494 3.241 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001207232692 1371336992 /nfs/dbraw/zinc/33/69/92/1371336992.db2.gz XOFVEWJWJAFWQR-FGTMMUONSA-N 2 1 343.531 3.073 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC1CC[NH+](C)CC1)[C@H]2CC ZINC001207482551 1371409478 /nfs/dbraw/zinc/40/94/78/1371409478.db2.gz NPPRJMSZOMFYPJ-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CCCCC1 ZINC001119989443 1371444603 /nfs/dbraw/zinc/44/46/03/1371444603.db2.gz MTAHJJQYTMBCJJ-LJQANCHMSA-N 2 1 347.547 3.073 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001120460561 1371583848 /nfs/dbraw/zinc/58/38/48/1371583848.db2.gz QJKDMBMZLIOLAP-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758632 1371885721 /nfs/dbraw/zinc/88/57/21/1371885721.db2.gz MEVMGDQYCOREOV-GOSISDBHSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCC1CC1 ZINC001209160743 1372018574 /nfs/dbraw/zinc/01/85/74/1372018574.db2.gz BLBOMEOKUFFHCL-RTWAWAEBSA-N 2 1 332.532 3.413 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772865 1372076258 /nfs/dbraw/zinc/07/62/58/1372076258.db2.gz JCAPATYYZUIGIJ-GGQJKKPXSA-N 2 1 347.547 3.092 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584655 1372385304 /nfs/dbraw/zinc/38/53/04/1372385304.db2.gz JOHIYEGAXQBYLS-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780268 1373117741 /nfs/dbraw/zinc/11/77/41/1373117741.db2.gz SCCANSHKJMHRGR-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552952 1373780737 /nfs/dbraw/zinc/78/07/37/1373780737.db2.gz LLFYTMOUWIYQIU-IPMKNSEASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001132417366 1375365219 /nfs/dbraw/zinc/36/52/19/1375365219.db2.gz WLZYVYLBQVHQNU-YLJYHZDGSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419554 1375366358 /nfs/dbraw/zinc/36/63/58/1375366358.db2.gz DTJRLURHMHQLEG-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419497 1375366511 /nfs/dbraw/zinc/36/65/11/1375366511.db2.gz CPVKBBCCKFUKJN-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147239 1375807845 /nfs/dbraw/zinc/80/78/45/1375807845.db2.gz QQJLGXUMAGAUPF-ROUUACIJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229468170 1375841181 /nfs/dbraw/zinc/84/11/81/1375841181.db2.gz ADCKZIMVJOESPM-QGZVFWFLSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232013363 1376381822 /nfs/dbraw/zinc/38/18/22/1376381822.db2.gz MJQDYLNXZQFOTC-HXUWFJFHSA-N 2 1 338.455 3.096 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323684 1376809878 /nfs/dbraw/zinc/80/98/78/1376809878.db2.gz SCTAPCCNEUEXSS-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323684 1376809883 /nfs/dbraw/zinc/80/98/83/1376809883.db2.gz SCTAPCCNEUEXSS-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323684 1376809893 /nfs/dbraw/zinc/80/98/93/1376809893.db2.gz SCTAPCCNEUEXSS-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691620 1377185690 /nfs/dbraw/zinc/18/56/90/1377185690.db2.gz XREIHGGXIWWWHI-ROUUACIJSA-N 2 1 325.541 3.338 20 30 EGEDMP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135996846 1377292722 /nfs/dbraw/zinc/29/27/22/1377292722.db2.gz WNNPWPQNPJHLER-MSOLQXFVSA-N 2 1 325.541 3.338 20 30 EGEDMP C[N@H+](Cc1ccc(C#N)nc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001140545860 1378082822 /nfs/dbraw/zinc/08/28/22/1378082822.db2.gz NHZBIXIRJXKSJO-UHFFFAOYSA-N 2 1 334.467 3.297 20 30 EGEDMP C[N@H+](Cc1ccc(C#N)cn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001144163901 1378690119 /nfs/dbraw/zinc/69/01/19/1378690119.db2.gz ZLRLDYJTJPJNGA-UHFFFAOYSA-N 2 1 334.467 3.297 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148820614 1379275601 /nfs/dbraw/zinc/27/56/01/1379275601.db2.gz XNRLVBIYRBGJGQ-KDURUIRLSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148820614 1379275602 /nfs/dbraw/zinc/27/56/02/1379275602.db2.gz XNRLVBIYRBGJGQ-KDURUIRLSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148820614 1379275603 /nfs/dbraw/zinc/27/56/03/1379275603.db2.gz XNRLVBIYRBGJGQ-KDURUIRLSA-N 2 1 349.563 3.364 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156318488 1380557310 /nfs/dbraw/zinc/55/73/10/1380557310.db2.gz BYSZSVPYQLIYFI-QUCCMNQESA-N 2 1 345.531 3.472 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318488 1380557313 /nfs/dbraw/zinc/55/73/13/1380557313.db2.gz BYSZSVPYQLIYFI-QUCCMNQESA-N 2 1 345.531 3.472 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318488 1380557315 /nfs/dbraw/zinc/55/73/15/1380557315.db2.gz BYSZSVPYQLIYFI-QUCCMNQESA-N 2 1 345.531 3.472 20 30 EGEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001157241256 1380821050 /nfs/dbraw/zinc/82/10/50/1380821050.db2.gz BPEWHYXEBUDCNT-MRXNPFEDSA-N 2 1 335.492 3.138 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158062064 1381116461 /nfs/dbraw/zinc/11/64/61/1381116461.db2.gz YSIQSNOFYKOXEI-MSOLQXFVSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158062064 1381116466 /nfs/dbraw/zinc/11/64/66/1381116466.db2.gz YSIQSNOFYKOXEI-MSOLQXFVSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090397 1381125375 /nfs/dbraw/zinc/12/53/75/1381125375.db2.gz ZRQIYLFTIOHCPJ-IEBWSBKVSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090397 1381125381 /nfs/dbraw/zinc/12/53/81/1381125381.db2.gz ZRQIYLFTIOHCPJ-IEBWSBKVSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090397 1381125385 /nfs/dbraw/zinc/12/53/85/1381125385.db2.gz ZRQIYLFTIOHCPJ-IEBWSBKVSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158645867 1381336224 /nfs/dbraw/zinc/33/62/24/1381336224.db2.gz ASWIZBICVZIKBM-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]c(C)cc2ccccc21 ZINC001159925626 1381939645 /nfs/dbraw/zinc/93/96/45/1381939645.db2.gz QDYTYKWDJSHJNT-KRWDZBQOSA-N 2 1 327.428 3.182 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568483 1382145612 /nfs/dbraw/zinc/14/56/12/1382145612.db2.gz WCWHGXCFGZGLRO-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568483 1382145617 /nfs/dbraw/zinc/14/56/17/1382145617.db2.gz WCWHGXCFGZGLRO-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568483 1382145621 /nfs/dbraw/zinc/14/56/21/1382145621.db2.gz WCWHGXCFGZGLRO-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001161391928 1382397378 /nfs/dbraw/zinc/39/73/78/1382397378.db2.gz ZGIOKYUJJYEKEO-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391928 1382397384 /nfs/dbraw/zinc/39/73/84/1382397384.db2.gz ZGIOKYUJJYEKEO-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001161391928 1382397389 /nfs/dbraw/zinc/39/73/89/1382397389.db2.gz ZGIOKYUJJYEKEO-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001161683206 1382480352 /nfs/dbraw/zinc/48/03/52/1382480352.db2.gz QVJHVNPBGNOEKF-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683206 1382480356 /nfs/dbraw/zinc/48/03/56/1382480356.db2.gz QVJHVNPBGNOEKF-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683206 1382480361 /nfs/dbraw/zinc/48/03/61/1382480361.db2.gz QVJHVNPBGNOEKF-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP Cc1[nH+]c(N(Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)ccc1CC#N ZINC001162198078 1382654829 /nfs/dbraw/zinc/65/48/29/1382654829.db2.gz RWCSRBXLDPUFED-WGSAOQKQSA-N 2 1 335.455 3.128 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164515176 1383195270 /nfs/dbraw/zinc/19/52/70/1383195270.db2.gz XDIWSGABIRDVBC-IBGZPJMESA-N 2 1 349.563 3.482 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232478 1383571161 /nfs/dbraw/zinc/57/11/61/1383571161.db2.gz DMJMBMRHFSMRGM-GOSISDBHSA-N 2 1 337.552 3.175 20 30 EGEDMP [NH2+]=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccc2ccccc2n1 ZINC001167969857 1383782396 /nfs/dbraw/zinc/78/23/96/1383782396.db2.gz GXILLFTUPFAHSX-AYHJJNSGSA-N 2 1 334.467 3.346 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646095 1384591425 /nfs/dbraw/zinc/59/14/25/1384591425.db2.gz IVIQKQHGAIMYDG-MOPGFXCFSA-N 2 1 337.552 3.338 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171821116 1384650715 /nfs/dbraw/zinc/65/07/15/1384650715.db2.gz KMAOPKPCMZJQBP-KRWDZBQOSA-N 2 1 336.524 3.427 20 30 EGEDMP C[NH+]1CCC(C#N)(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977560 1384702065 /nfs/dbraw/zinc/70/20/65/1384702065.db2.gz FYURPCYRVQAVOR-LJQANCHMSA-N 2 1 340.515 3.007 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001172127987 1384736309 /nfs/dbraw/zinc/73/63/09/1384736309.db2.gz NBPOTYPJCTWJPZ-REPLKXPHSA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001172127987 1384736313 /nfs/dbraw/zinc/73/63/13/1384736313.db2.gz NBPOTYPJCTWJPZ-REPLKXPHSA-N 2 1 339.483 3.417 20 30 EGEDMP N#Cc1cccc(C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172223073 1384751701 /nfs/dbraw/zinc/75/17/01/1384751701.db2.gz NBDVVBZYYRHXOZ-YRMMNHGISA-N 2 1 339.483 3.340 20 30 EGEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001172498965 1384805602 /nfs/dbraw/zinc/80/56/02/1384805602.db2.gz PULLVBDDWQNZJR-GOSISDBHSA-N 2 1 326.488 3.452 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262180 1385232494 /nfs/dbraw/zinc/23/24/94/1385232494.db2.gz CPZZEKCYBJOURK-VQIMIIECSA-N 2 1 341.515 3.040 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001175574343 1385336609 /nfs/dbraw/zinc/33/66/09/1385336609.db2.gz VIJXSABLXZFRKW-RBUKOAKNSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001176111124 1385486780 /nfs/dbraw/zinc/48/67/80/1385486780.db2.gz GGQHOKZCTWRZBY-MOPGFXCFSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001176111792 1385486978 /nfs/dbraw/zinc/48/69/78/1385486978.db2.gz JZOFAMWMTKJNAD-RBUKOAKNSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820543 1385713286 /nfs/dbraw/zinc/71/32/86/1385713286.db2.gz PZMOCQMHIHHBSV-IBGZPJMESA-N 2 1 345.531 3.349 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820543 1385713288 /nfs/dbraw/zinc/71/32/88/1385713288.db2.gz PZMOCQMHIHHBSV-IBGZPJMESA-N 2 1 345.531 3.349 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001177335761 1385918120 /nfs/dbraw/zinc/91/81/20/1385918120.db2.gz JVZGWWLOTCEVGM-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468886 1386226913 /nfs/dbraw/zinc/22/69/13/1386226913.db2.gz YISGDIKCEONIDG-OALUTQOASA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891779 1386340541 /nfs/dbraw/zinc/34/05/41/1386340541.db2.gz ZYKDCOPMKNIVOO-BZSNNMDCSA-N 2 1 344.503 3.086 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178920720 1386349528 /nfs/dbraw/zinc/34/95/28/1386349528.db2.gz GXDSVSZVEVWWCU-IBGZPJMESA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001179776873 1386582110 /nfs/dbraw/zinc/58/21/10/1386582110.db2.gz LKKJHAPWIHXSBG-DLBZAZTESA-N 2 1 334.508 3.209 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728916 1387046981 /nfs/dbraw/zinc/04/69/81/1387046981.db2.gz UGUKPBXNLNNWJP-SFHLNBCPSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001692098422 1405771365 /nfs/dbraw/zinc/77/13/65/1405771365.db2.gz XHOZYHQCFHSLTC-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001692098422 1405771369 /nfs/dbraw/zinc/77/13/69/1405771369.db2.gz XHOZYHQCFHSLTC-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001692098422 1405771373 /nfs/dbraw/zinc/77/13/73/1405771373.db2.gz XHOZYHQCFHSLTC-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752784217 1440210429 /nfs/dbraw/zinc/21/04/29/1440210429.db2.gz XNZAMIUMPDKIOZ-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001752841717 1440230987 /nfs/dbraw/zinc/23/09/87/1440230987.db2.gz SPFNUHMBJQVEHX-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001752999996 1440264066 /nfs/dbraw/zinc/26/40/66/1440264066.db2.gz LQVBXPOGDYGEQK-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753222831 1440340186 /nfs/dbraw/zinc/34/01/86/1440340186.db2.gz OZIMCGACFJUZCL-HKUYNNGSSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753352776 1440378680 /nfs/dbraw/zinc/37/86/80/1440378680.db2.gz QFXMQBRNIOLAPN-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753352776 1440378681 /nfs/dbraw/zinc/37/86/81/1440378681.db2.gz QFXMQBRNIOLAPN-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753352776 1440378682 /nfs/dbraw/zinc/37/86/82/1440378682.db2.gz QFXMQBRNIOLAPN-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753358168 1440381177 /nfs/dbraw/zinc/38/11/77/1440381177.db2.gz KZKIFJKDIWKDKH-AZUAARDMSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753358168 1440381178 /nfs/dbraw/zinc/38/11/78/1440381178.db2.gz KZKIFJKDIWKDKH-AZUAARDMSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753358168 1440381179 /nfs/dbraw/zinc/38/11/79/1440381179.db2.gz KZKIFJKDIWKDKH-AZUAARDMSA-N 2 1 343.515 3.036 20 30 EGEDMP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001753405240 1440391778 /nfs/dbraw/zinc/39/17/78/1440391778.db2.gz HNRIEQDSEMWMQI-MOPGFXCFSA-N 2 1 335.536 3.022 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001753459399 1440409701 /nfs/dbraw/zinc/40/97/01/1440409701.db2.gz MTKIOEFNAYDUMM-LJQANCHMSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753549422 1440434718 /nfs/dbraw/zinc/43/47/18/1440434718.db2.gz WMABKBHDAQYZAR-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753557389 1440436314 /nfs/dbraw/zinc/43/63/14/1440436314.db2.gz KLPNIPPGKKDJEP-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001753749825 1440482264 /nfs/dbraw/zinc/48/22/64/1440482264.db2.gz QVYKZBDEBIMEMB-RTBURBONSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001754674973 1440659443 /nfs/dbraw/zinc/65/94/43/1440659443.db2.gz GZHZVSUHPWBQQF-QRWLVFNGSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001755030919 1440731251 /nfs/dbraw/zinc/73/12/51/1440731251.db2.gz KIMDZVDFEAKZBT-AZUAARDMSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001755184245 1440772523 /nfs/dbraw/zinc/77/25/23/1440772523.db2.gz QSHLKDUQPOLIBT-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001755184245 1440772524 /nfs/dbraw/zinc/77/25/24/1440772524.db2.gz QSHLKDUQPOLIBT-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001755184245 1440772525 /nfs/dbraw/zinc/77/25/25/1440772525.db2.gz QSHLKDUQPOLIBT-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001755833248 1440929290 /nfs/dbraw/zinc/92/92/90/1440929290.db2.gz XXZCODHWJBRZRO-MRXNPFEDSA-N 2 1 325.541 3.051 20 30 EGEDMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000311203361 154147806 /nfs/dbraw/zinc/14/78/06/154147806.db2.gz LLKCBSOBWOHNQW-IBGZPJMESA-N 2 1 335.451 3.179 20 30 EGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C#N)c1 ZINC000248462829 163008041 /nfs/dbraw/zinc/00/80/41/163008041.db2.gz YOSKIMXRQHOLSK-JTSKRJEESA-N 2 1 349.478 3.366 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000122090398 222012822 /nfs/dbraw/zinc/01/28/22/222012822.db2.gz CSFVPOBEOKTMBF-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP N#Cc1ccc(N2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000423258530 269964513 /nfs/dbraw/zinc/96/45/13/269964513.db2.gz BRYLAGFSKWPBHH-HXUWFJFHSA-N 2 1 326.488 3.024 20 30 EGEDMP N#Cc1cccc(OCCCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134906765 454606724 /nfs/dbraw/zinc/60/67/24/454606724.db2.gz ZCCCQEPHLCMHJP-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134906765 454606729 /nfs/dbraw/zinc/60/67/29/454606729.db2.gz ZCCCQEPHLCMHJP-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134906765 454606734 /nfs/dbraw/zinc/60/67/34/454606734.db2.gz ZCCCQEPHLCMHJP-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134906765 454606739 /nfs/dbraw/zinc/60/67/39/454606739.db2.gz ZCCCQEPHLCMHJP-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134906765 454606744 /nfs/dbraw/zinc/60/67/44/454606744.db2.gz ZCCCQEPHLCMHJP-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000106245666 454687852 /nfs/dbraw/zinc/68/78/52/454687852.db2.gz UEHXSHMGTLMDCF-OAQYLSRUSA-N 2 1 344.499 3.375 20 30 EGEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)s3)c2)CCO1 ZINC000176955318 454803242 /nfs/dbraw/zinc/80/32/42/454803242.db2.gz UXOHLTWRSMVQDD-HNNXBMFYSA-N 2 1 341.480 3.130 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)s3)c2)CCO1 ZINC000176955318 454803246 /nfs/dbraw/zinc/80/32/46/454803246.db2.gz UXOHLTWRSMVQDD-HNNXBMFYSA-N 2 1 341.480 3.130 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000170911254 454998428 /nfs/dbraw/zinc/99/84/28/454998428.db2.gz QZDNFHBWHQRZBQ-INIZCTEOSA-N 2 1 337.471 3.383 20 30 EGEDMP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247928314 455655981 /nfs/dbraw/zinc/65/59/81/455655981.db2.gz BUVMYAHWFSVVQH-SQGPQFPESA-N 2 1 343.515 3.074 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268836323 455715566 /nfs/dbraw/zinc/71/55/66/455715566.db2.gz BKTADMBYDPQIES-SFHVURJKSA-N 2 1 343.515 3.214 20 30 EGEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270564888 455983799 /nfs/dbraw/zinc/98/37/99/455983799.db2.gz LCSUJZJYFAHQFE-DETPVDSQSA-N 2 1 340.874 3.175 20 30 EGEDMP CC[N@H+](CCC[NH+](C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289385023 456123161 /nfs/dbraw/zinc/12/31/61/456123161.db2.gz DACXXWZRLLECPL-UHFFFAOYSA-N 2 1 339.487 3.237 20 30 EGEDMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000289385023 456123170 /nfs/dbraw/zinc/12/31/70/456123170.db2.gz DACXXWZRLLECPL-UHFFFAOYSA-N 2 1 339.487 3.237 20 30 EGEDMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000289777222 456142192 /nfs/dbraw/zinc/14/21/92/456142192.db2.gz KFSVDUYCSUTWJT-LJQANCHMSA-N 2 1 336.483 3.289 20 30 EGEDMP Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC000282890325 456657320 /nfs/dbraw/zinc/65/73/20/456657320.db2.gz DNYKFLBCENDEGQ-FQEVSTJZSA-N 2 1 336.483 3.287 20 30 EGEDMP Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1C#N ZINC000282890325 456657331 /nfs/dbraw/zinc/65/73/31/456657331.db2.gz DNYKFLBCENDEGQ-FQEVSTJZSA-N 2 1 336.483 3.287 20 30 EGEDMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC000329396325 456884060 /nfs/dbraw/zinc/88/40/60/456884060.db2.gz XLMRVAULUZAOKU-CVEARBPZSA-N 2 1 332.492 3.303 20 30 EGEDMP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358141405 457811411 /nfs/dbraw/zinc/81/14/11/457811411.db2.gz OWRJGFPPNABCMO-KAXARAQCSA-N 2 1 339.483 3.465 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000442722339 459026534 /nfs/dbraw/zinc/02/65/34/459026534.db2.gz VDMLHHYCSIDDJX-WOUAJJJCSA-N 2 1 327.472 3.078 20 30 EGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1sccc1C#N ZINC000603112359 460245518 /nfs/dbraw/zinc/24/55/18/460245518.db2.gz XFVMHQNBQFPVTA-UHFFFAOYSA-N 2 1 348.516 3.146 20 30 EGEDMP N#CCC[C@H](C#N)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612051959 460521167 /nfs/dbraw/zinc/52/11/67/460521167.db2.gz ZANARWGLHUUYQR-XRXFAXGQSA-N 2 1 336.483 3.320 20 30 EGEDMP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000612051959 460521173 /nfs/dbraw/zinc/52/11/73/460521173.db2.gz ZANARWGLHUUYQR-XRXFAXGQSA-N 2 1 336.483 3.320 20 30 EGEDMP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000612051959 460521178 /nfs/dbraw/zinc/52/11/78/460521178.db2.gz ZANARWGLHUUYQR-XRXFAXGQSA-N 2 1 336.483 3.320 20 30 EGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629657235 460850701 /nfs/dbraw/zinc/85/07/01/460850701.db2.gz VCNILYLNMLJWJA-GDBMZVCRSA-N 2 1 328.378 3.211 20 30 EGEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629657235 460850704 /nfs/dbraw/zinc/85/07/04/460850704.db2.gz VCNILYLNMLJWJA-GDBMZVCRSA-N 2 1 328.378 3.211 20 30 EGEDMP C=CC[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)CC1 ZINC000171716720 526447425 /nfs/dbraw/zinc/44/74/25/526447425.db2.gz RNGDZHKNIOTTCD-UHFFFAOYSA-N 2 1 343.515 3.297 20 30 EGEDMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174274904 528151606 /nfs/dbraw/zinc/15/16/06/528151606.db2.gz AGVFGIGNCPVSCD-UHFFFAOYSA-N 2 1 327.428 3.162 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000246425263 1296352116 /nfs/dbraw/zinc/35/21/16/1296352116.db2.gz NLWPISZNHDVSAF-NXHRZFHOSA-N 2 1 345.487 3.196 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000246425263 1296352126 /nfs/dbraw/zinc/35/21/26/1296352126.db2.gz NLWPISZNHDVSAF-NXHRZFHOSA-N 2 1 345.487 3.196 20 30 EGEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)ccc1F ZINC000262240915 1296623248 /nfs/dbraw/zinc/62/32/48/1296623248.db2.gz BNOTXMXPXUJYQV-OAHLLOKOSA-N 2 1 344.409 3.214 20 30 EGEDMP COc1cccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)C(C)C)c1 ZINC000303891323 1296870596 /nfs/dbraw/zinc/87/05/96/1296870596.db2.gz NAGIAVNRYYUYCH-UHFFFAOYSA-N 2 1 340.471 3.462 20 30 EGEDMP C[C@@H](CCNC(=[NH2+])NCCc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000304519476 1296930283 /nfs/dbraw/zinc/93/02/83/1296930283.db2.gz WYOLXZZZRAOLBM-SFHVURJKSA-N 2 1 338.499 3.044 20 30 EGEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304760066 1296941109 /nfs/dbraw/zinc/94/11/09/1296941109.db2.gz RWAFRBIJLULJEX-ZDUSSCGKSA-N 2 1 344.381 3.186 20 30 EGEDMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513737 1298239615 /nfs/dbraw/zinc/23/96/15/1298239615.db2.gz PEQAOCLLSYRKAQ-YJBOKZPZSA-N 2 1 325.481 3.477 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513737 1298239627 /nfs/dbraw/zinc/23/96/27/1298239627.db2.gz PEQAOCLLSYRKAQ-YJBOKZPZSA-N 2 1 325.481 3.477 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000783293414 1305077607 /nfs/dbraw/zinc/07/76/07/1305077607.db2.gz HDUDEOXUWCHZHJ-CEMLEFRQSA-N 2 1 346.478 3.344 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000783293414 1305077615 /nfs/dbraw/zinc/07/76/15/1305077615.db2.gz HDUDEOXUWCHZHJ-CEMLEFRQSA-N 2 1 346.478 3.344 20 30 EGEDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cc(C#N)ccc2Br)C1 ZINC000894495850 1308921567 /nfs/dbraw/zinc/92/15/67/1308921567.db2.gz LLJIPEPJAWHAIW-WMLDXEAASA-N 2 1 348.288 3.237 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602852 1317491961 /nfs/dbraw/zinc/49/19/61/1317491961.db2.gz IMKLZSOVORTPIG-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369584 1319482699 /nfs/dbraw/zinc/48/26/99/1319482699.db2.gz FKCXHPYYQKUHRU-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369584 1319482703 /nfs/dbraw/zinc/48/27/03/1319482703.db2.gz FKCXHPYYQKUHRU-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369584 1319482707 /nfs/dbraw/zinc/48/27/07/1319482707.db2.gz FKCXHPYYQKUHRU-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000924643838 1323090593 /nfs/dbraw/zinc/09/05/93/1323090593.db2.gz QWNUJLLYJVSPHG-AZUAARDMSA-N 2 1 342.531 3.283 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811303 1323713144 /nfs/dbraw/zinc/71/31/44/1323713144.db2.gz PJCGHLQFMPAERD-HXUWFJFHSA-N 2 1 343.515 3.299 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025257659 1324064938 /nfs/dbraw/zinc/06/49/38/1324064938.db2.gz FQUDRQNPUGLJBH-RBUKOAKNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025264501 1324076741 /nfs/dbraw/zinc/07/67/41/1324076741.db2.gz ARSUSDDCLIJFLG-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025264501 1324076745 /nfs/dbraw/zinc/07/67/45/1324076745.db2.gz ARSUSDDCLIJFLG-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025264501 1324076748 /nfs/dbraw/zinc/07/67/48/1324076748.db2.gz ARSUSDDCLIJFLG-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516406 1324359994 /nfs/dbraw/zinc/35/99/94/1324359994.db2.gz SRNYUJBRPSYKDE-DLBZAZTESA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001025628647 1324478299 /nfs/dbraw/zinc/47/82/99/1324478299.db2.gz SLKPBGTZMLPBEW-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP CCC[N@@H+](CCO[C@@H](C)C#N)C1CCN(Cc2ccccc2)CC1 ZINC000934189165 1329953335 /nfs/dbraw/zinc/95/33/35/1329953335.db2.gz VOVNOXPWLHJICS-SFHVURJKSA-N 2 1 329.488 3.292 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829823 1333701770 /nfs/dbraw/zinc/70/17/70/1333701770.db2.gz XDUYCHLZXJIHOV-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969059304 1336132961 /nfs/dbraw/zinc/13/29/61/1336132961.db2.gz INGQJFDLHAYKJA-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059304 1336132964 /nfs/dbraw/zinc/13/29/64/1336132964.db2.gz INGQJFDLHAYKJA-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969059304 1336132967 /nfs/dbraw/zinc/13/29/67/1336132967.db2.gz INGQJFDLHAYKJA-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005504355 1336363677 /nfs/dbraw/zinc/36/36/77/1336363677.db2.gz PWYKRTFUHPUPGV-IBGZPJMESA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248421 1342345960 /nfs/dbraw/zinc/34/59/60/1342345960.db2.gz BXZBDGLGSVGTHC-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248421 1342345962 /nfs/dbraw/zinc/34/59/62/1342345962.db2.gz BXZBDGLGSVGTHC-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248421 1342345965 /nfs/dbraw/zinc/34/59/65/1342345965.db2.gz BXZBDGLGSVGTHC-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034366585 1342436405 /nfs/dbraw/zinc/43/64/05/1342436405.db2.gz BQLZPWDDEVFRDK-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034366585 1342436406 /nfs/dbraw/zinc/43/64/06/1342436406.db2.gz BQLZPWDDEVFRDK-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034366585 1342436408 /nfs/dbraw/zinc/43/64/08/1342436408.db2.gz BQLZPWDDEVFRDK-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034481287 1342538499 /nfs/dbraw/zinc/53/84/99/1342538499.db2.gz SMTSYJOXTTVZGP-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034481287 1342538501 /nfs/dbraw/zinc/53/85/01/1342538501.db2.gz SMTSYJOXTTVZGP-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034481287 1342538505 /nfs/dbraw/zinc/53/85/05/1342538505.db2.gz SMTSYJOXTTVZGP-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034662087 1342676828 /nfs/dbraw/zinc/67/68/28/1342676828.db2.gz CIGGIMZWKFFCLQ-ULQDDVLXSA-N 2 1 341.927 3.019 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035196236 1343009525 /nfs/dbraw/zinc/00/95/25/1343009525.db2.gz YWIQYDSFVGMUGM-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196236 1343009526 /nfs/dbraw/zinc/00/95/26/1343009526.db2.gz YWIQYDSFVGMUGM-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196236 1343009530 /nfs/dbraw/zinc/00/95/30/1343009530.db2.gz YWIQYDSFVGMUGM-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233986 1343056531 /nfs/dbraw/zinc/05/65/31/1343056531.db2.gz RJFXEGHQCNXYIS-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233986 1343056532 /nfs/dbraw/zinc/05/65/32/1343056532.db2.gz RJFXEGHQCNXYIS-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233986 1343056533 /nfs/dbraw/zinc/05/65/33/1343056533.db2.gz RJFXEGHQCNXYIS-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230419 1345385922 /nfs/dbraw/zinc/38/59/22/1345385922.db2.gz CEMNEVBSWDKWAP-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230419 1345385926 /nfs/dbraw/zinc/38/59/26/1345385926.db2.gz CEMNEVBSWDKWAP-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230419 1345385930 /nfs/dbraw/zinc/38/59/30/1345385930.db2.gz CEMNEVBSWDKWAP-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040431413 1345494895 /nfs/dbraw/zinc/49/48/95/1345494895.db2.gz IBBSFSJCDVEOLY-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431413 1345494897 /nfs/dbraw/zinc/49/48/97/1345494897.db2.gz IBBSFSJCDVEOLY-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431413 1345494899 /nfs/dbraw/zinc/49/48/99/1345494899.db2.gz IBBSFSJCDVEOLY-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001040489321 1345516818 /nfs/dbraw/zinc/51/68/18/1345516818.db2.gz OHJBUZBCVJXVGL-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040489321 1345516819 /nfs/dbraw/zinc/51/68/19/1345516819.db2.gz OHJBUZBCVJXVGL-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001040489321 1345516821 /nfs/dbraw/zinc/51/68/21/1345516821.db2.gz OHJBUZBCVJXVGL-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583840 1347605751 /nfs/dbraw/zinc/60/57/51/1347605751.db2.gz RTGZZFIUIZDMDX-FSGKZVOOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787332 1348022021 /nfs/dbraw/zinc/02/20/21/1348022021.db2.gz HGZMVMDGDXURLY-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054174711 1349175816 /nfs/dbraw/zinc/17/58/16/1349175816.db2.gz YNDKTWAUOBKZCP-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209239 1349210249 /nfs/dbraw/zinc/21/02/49/1349210249.db2.gz MAXOZVKFFFMAOI-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209239 1349210252 /nfs/dbraw/zinc/21/02/52/1349210252.db2.gz MAXOZVKFFFMAOI-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209239 1349210255 /nfs/dbraw/zinc/21/02/55/1349210255.db2.gz MAXOZVKFFFMAOI-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054245318 1349238950 /nfs/dbraw/zinc/23/89/50/1349238950.db2.gz RMHZTXOOPUTICY-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245318 1349238952 /nfs/dbraw/zinc/23/89/52/1349238952.db2.gz RMHZTXOOPUTICY-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245318 1349238953 /nfs/dbraw/zinc/23/89/53/1349238953.db2.gz RMHZTXOOPUTICY-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001183129770 1387266997 /nfs/dbraw/zinc/26/69/97/1387266997.db2.gz YIFLAASSKZIETB-SVFBPWRDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073116272 1355605742 /nfs/dbraw/zinc/60/57/42/1355605742.db2.gz IQPUCNIBUUATNH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073116272 1355605744 /nfs/dbraw/zinc/60/57/44/1355605744.db2.gz IQPUCNIBUUATNH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073116272 1355605747 /nfs/dbraw/zinc/60/57/47/1355605747.db2.gz IQPUCNIBUUATNH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458303 1356390311 /nfs/dbraw/zinc/39/03/11/1356390311.db2.gz BRSOPSKULIYMAP-ICSRJNTNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085307070 1358461699 /nfs/dbraw/zinc/46/16/99/1358461699.db2.gz DKGIIMHDDBXIOQ-VAMGGRTRSA-N 2 1 347.547 3.377 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699199 1359598877 /nfs/dbraw/zinc/59/88/77/1359598877.db2.gz HNFSMZZRSQRBLT-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699199 1359598879 /nfs/dbraw/zinc/59/88/79/1359598879.db2.gz HNFSMZZRSQRBLT-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699199 1359598883 /nfs/dbraw/zinc/59/88/83/1359598883.db2.gz HNFSMZZRSQRBLT-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509552 1360481022 /nfs/dbraw/zinc/48/10/22/1360481022.db2.gz JEFWDHYGRHIXRS-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC(C)(C)C1 ZINC001089548962 1360502500 /nfs/dbraw/zinc/50/25/00/1360502500.db2.gz RCORZNWUWOHGFA-NQIIRXRSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC(C)(C)C1 ZINC001089548962 1360502502 /nfs/dbraw/zinc/50/25/02/1360502502.db2.gz RCORZNWUWOHGFA-NQIIRXRSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC(C)(C)C1 ZINC001089548962 1360502504 /nfs/dbraw/zinc/50/25/04/1360502504.db2.gz RCORZNWUWOHGFA-NQIIRXRSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565675 1360512310 /nfs/dbraw/zinc/51/23/10/1360512310.db2.gz WJZNOVMBAGVIKG-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565675 1360512313 /nfs/dbraw/zinc/51/23/13/1360512313.db2.gz WJZNOVMBAGVIKG-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565675 1360512316 /nfs/dbraw/zinc/51/23/16/1360512316.db2.gz WJZNOVMBAGVIKG-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089565743 1360512459 /nfs/dbraw/zinc/51/24/59/1360512459.db2.gz YPBFEAVEXYTPQQ-SFHVURJKSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089638902 1360552349 /nfs/dbraw/zinc/55/23/49/1360552349.db2.gz IYURUBUGJOBEDE-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638902 1360552351 /nfs/dbraw/zinc/55/23/51/1360552351.db2.gz IYURUBUGJOBEDE-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638902 1360552353 /nfs/dbraw/zinc/55/23/53/1360552353.db2.gz IYURUBUGJOBEDE-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089645942 1360558026 /nfs/dbraw/zinc/55/80/26/1360558026.db2.gz DSUZALCTYQFUSW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089645942 1360558029 /nfs/dbraw/zinc/55/80/29/1360558029.db2.gz DSUZALCTYQFUSW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089645942 1360558031 /nfs/dbraw/zinc/55/80/31/1360558031.db2.gz DSUZALCTYQFUSW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089647761 1360560821 /nfs/dbraw/zinc/56/08/21/1360560821.db2.gz ZZWNVQAXKKUVPQ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089647761 1360560824 /nfs/dbraw/zinc/56/08/24/1360560824.db2.gz ZZWNVQAXKKUVPQ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089647761 1360560827 /nfs/dbraw/zinc/56/08/27/1360560827.db2.gz ZZWNVQAXKKUVPQ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089647763 1360561109 /nfs/dbraw/zinc/56/11/09/1360561109.db2.gz ZZWNVQAXKKUVPQ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089647763 1360561110 /nfs/dbraw/zinc/56/11/10/1360561110.db2.gz ZZWNVQAXKKUVPQ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089647763 1360561114 /nfs/dbraw/zinc/56/11/14/1360561114.db2.gz ZZWNVQAXKKUVPQ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089657940 1360569847 /nfs/dbraw/zinc/56/98/47/1360569847.db2.gz GFHNIHIEKOQMHW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089657940 1360569848 /nfs/dbraw/zinc/56/98/48/1360569848.db2.gz GFHNIHIEKOQMHW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657940 1360569849 /nfs/dbraw/zinc/56/98/49/1360569849.db2.gz GFHNIHIEKOQMHW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657940 1360569851 /nfs/dbraw/zinc/56/98/51/1360569851.db2.gz GFHNIHIEKOQMHW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001089733903 1360638713 /nfs/dbraw/zinc/63/87/13/1360638713.db2.gz CTFIWCNQQUXOPJ-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089733903 1360638715 /nfs/dbraw/zinc/63/87/15/1360638715.db2.gz CTFIWCNQQUXOPJ-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001089733903 1360638717 /nfs/dbraw/zinc/63/87/17/1360638717.db2.gz CTFIWCNQQUXOPJ-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891506 1387555950 /nfs/dbraw/zinc/55/59/50/1387555950.db2.gz HWRMOLZUEKUDSY-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533887 1362163764 /nfs/dbraw/zinc/16/37/64/1362163764.db2.gz RSRYNVWUNYVJQK-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533887 1362163767 /nfs/dbraw/zinc/16/37/67/1362163767.db2.gz RSRYNVWUNYVJQK-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533887 1362163768 /nfs/dbraw/zinc/16/37/68/1362163768.db2.gz RSRYNVWUNYVJQK-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098821601 1363482166 /nfs/dbraw/zinc/48/21/66/1363482166.db2.gz PVCKYXIELKRVIK-QUCCMNQESA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099154046 1363660313 /nfs/dbraw/zinc/66/03/13/1363660313.db2.gz TYUJHBYRPDRELQ-OALUTQOASA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099239471 1363708522 /nfs/dbraw/zinc/70/85/22/1363708522.db2.gz FEHNWTWXDPGTGV-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239471 1363708525 /nfs/dbraw/zinc/70/85/25/1363708525.db2.gz FEHNWTWXDPGTGV-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099239471 1363708527 /nfs/dbraw/zinc/70/85/27/1363708527.db2.gz FEHNWTWXDPGTGV-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099340202 1363760774 /nfs/dbraw/zinc/76/07/74/1363760774.db2.gz QRZUBXMHIJBQIK-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185227270 1387656766 /nfs/dbraw/zinc/65/67/66/1387656766.db2.gz WKKRMEWRJJOUNA-ROUUACIJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001101036009 1364382959 /nfs/dbraw/zinc/38/29/59/1364382959.db2.gz GRSDGGHBVRDWKD-ACBHZAAOSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001101550546 1364613454 /nfs/dbraw/zinc/61/34/54/1364613454.db2.gz NSPGVONAQQSIBU-OALUTQOASA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101557089 1364618187 /nfs/dbraw/zinc/61/81/87/1364618187.db2.gz SZPDPLWXBAYPMV-UHFFFAOYSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001101574798 1364629049 /nfs/dbraw/zinc/62/90/49/1364629049.db2.gz DLJKJRNUDVDFLE-GOSISDBHSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001101579355 1364631963 /nfs/dbraw/zinc/63/19/63/1364631963.db2.gz DAUZJPFZGXJXCX-UHFFFAOYSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102190867 1364924364 /nfs/dbraw/zinc/92/43/64/1364924364.db2.gz KNMCTMRCIWEBTP-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007348 1365335079 /nfs/dbraw/zinc/33/50/79/1365335079.db2.gz KRJCXYLSDILSIQ-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001103007348 1365335081 /nfs/dbraw/zinc/33/50/81/1365335081.db2.gz KRJCXYLSDILSIQ-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103084127 1365371808 /nfs/dbraw/zinc/37/18/08/1365371808.db2.gz ZWHIRFHTOJMRDY-AQNXPRMDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103084127 1365371812 /nfs/dbraw/zinc/37/18/12/1365371812.db2.gz ZWHIRFHTOJMRDY-AQNXPRMDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103084127 1365371816 /nfs/dbraw/zinc/37/18/16/1365371816.db2.gz ZWHIRFHTOJMRDY-AQNXPRMDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495812 1365596994 /nfs/dbraw/zinc/59/69/94/1365596994.db2.gz UYQZOJFCAIYLEA-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612372 1365675953 /nfs/dbraw/zinc/67/59/53/1365675953.db2.gz ALOMQWVRGHQLPY-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612372 1365675956 /nfs/dbraw/zinc/67/59/56/1365675956.db2.gz ALOMQWVRGHQLPY-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)CC)C1 ZINC001103612372 1365675958 /nfs/dbraw/zinc/67/59/58/1365675958.db2.gz ALOMQWVRGHQLPY-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724667 1365749903 /nfs/dbraw/zinc/74/99/03/1365749903.db2.gz NWTOCKNJCWLTMI-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724667 1365749906 /nfs/dbraw/zinc/74/99/06/1365749906.db2.gz NWTOCKNJCWLTMI-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732548 1365754424 /nfs/dbraw/zinc/75/44/24/1365754424.db2.gz GLHCBWRLGKURSV-WOJBJXKFSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573116 1366082494 /nfs/dbraw/zinc/08/24/94/1366082494.db2.gz IEYIDYWITXHDAC-AQNXPRMDSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105017157 1366276287 /nfs/dbraw/zinc/27/62/87/1366276287.db2.gz SJOMLPFLIFBQIT-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572337 1366538698 /nfs/dbraw/zinc/53/86/98/1366538698.db2.gz OQQCWNSLJKTXEX-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578919 1366542423 /nfs/dbraw/zinc/54/24/23/1366542423.db2.gz IANGBAMYEDOCJB-LJQANCHMSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543994 1367035281 /nfs/dbraw/zinc/03/52/81/1367035281.db2.gz HMSPGYXDGABHID-QWFCFKBJSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107630087 1367083612 /nfs/dbraw/zinc/08/36/12/1367083612.db2.gz ZFQHEYHRLNYVNF-SFHLNBCPSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107630087 1367083617 /nfs/dbraw/zinc/08/36/17/1367083617.db2.gz ZFQHEYHRLNYVNF-SFHLNBCPSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107630087 1367083621 /nfs/dbraw/zinc/08/36/21/1367083621.db2.gz ZFQHEYHRLNYVNF-SFHLNBCPSA-N 2 1 349.563 3.269 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001109399230 1367104129 /nfs/dbraw/zinc/10/41/29/1367104129.db2.gz CMLHJRJBFXLXMV-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001109399230 1367104131 /nfs/dbraw/zinc/10/41/31/1367104131.db2.gz CMLHJRJBFXLXMV-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001109399230 1367104133 /nfs/dbraw/zinc/10/41/33/1367104133.db2.gz CMLHJRJBFXLXMV-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084052 1367168415 /nfs/dbraw/zinc/16/84/15/1367168415.db2.gz JSZQEXGYEZFKCD-OALUTQOASA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084052 1367168419 /nfs/dbraw/zinc/16/84/19/1367168419.db2.gz JSZQEXGYEZFKCD-OALUTQOASA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084052 1367168422 /nfs/dbraw/zinc/16/84/22/1367168422.db2.gz JSZQEXGYEZFKCD-OALUTQOASA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109718216 1367291835 /nfs/dbraw/zinc/29/18/35/1367291835.db2.gz CATONVMJEVVYNW-RDGPPVDQSA-N 2 1 335.536 3.020 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190655548 1367318744 /nfs/dbraw/zinc/31/87/44/1367318744.db2.gz QALBXEVNRGQCRB-ZWKOTPCHSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190655548 1367318749 /nfs/dbraw/zinc/31/87/49/1367318749.db2.gz QALBXEVNRGQCRB-ZWKOTPCHSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110143288 1367524366 /nfs/dbraw/zinc/52/43/66/1367524366.db2.gz ZKHQYUJAPAHVFR-AABGKKOBSA-N 2 1 341.499 3.050 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001110886241 1368059852 /nfs/dbraw/zinc/05/98/52/1368059852.db2.gz SLJXOALWXRCRSL-QRVBRYPASA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164302 1368174672 /nfs/dbraw/zinc/17/46/72/1368174672.db2.gz RVODZSCJIIPVDL-AKHDSKFASA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217068 1368196055 /nfs/dbraw/zinc/19/60/55/1368196055.db2.gz DUZMLLCGPRMPEY-NBYUQASBSA-N 2 1 347.547 3.183 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111269302 1368235862 /nfs/dbraw/zinc/23/58/62/1368235862.db2.gz ZLQDCTXHKUMFOF-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449674 1368264155 /nfs/dbraw/zinc/26/41/55/1368264155.db2.gz WSPBUFOTPDOMCH-UYAOXDASSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449674 1368264157 /nfs/dbraw/zinc/26/41/57/1368264157.db2.gz WSPBUFOTPDOMCH-UYAOXDASSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449674 1368264162 /nfs/dbraw/zinc/26/41/62/1368264162.db2.gz WSPBUFOTPDOMCH-UYAOXDASSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449674 1368264165 /nfs/dbraw/zinc/26/41/65/1368264165.db2.gz WSPBUFOTPDOMCH-UYAOXDASSA-N 2 1 343.515 3.006 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788776 1368463016 /nfs/dbraw/zinc/46/30/16/1368463016.db2.gz JZKGNNFVWPHKSZ-NSHGMRRFSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111988557 1368593546 /nfs/dbraw/zinc/59/35/46/1368593546.db2.gz MSAQSUKLGCJFFE-FPOVZHCZSA-N 2 1 347.547 3.189 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198230180 1368984612 /nfs/dbraw/zinc/98/46/12/1368984612.db2.gz XPJHBHOUORRUAL-GOSISDBHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200644014 1369404898 /nfs/dbraw/zinc/40/48/98/1369404898.db2.gz IEEGQGBRZQZDKW-DLBZAZTESA-N 2 1 346.519 3.332 20 30 EGEDMP CCCCCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001201846273 1369633699 /nfs/dbraw/zinc/63/36/99/1369633699.db2.gz FDEWZHNSPCPKKW-UHFFFAOYSA-N 2 1 348.535 3.261 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCCCC)CCCCC1 ZINC001115577905 1370581329 /nfs/dbraw/zinc/58/13/29/1370581329.db2.gz ODTNQAJFRHCYNT-IBGZPJMESA-N 2 1 347.547 3.073 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCCCC)CCCCC1 ZINC001115577905 1370581330 /nfs/dbraw/zinc/58/13/30/1370581330.db2.gz ODTNQAJFRHCYNT-IBGZPJMESA-N 2 1 347.547 3.073 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730426 1370712850 /nfs/dbraw/zinc/71/28/50/1370712850.db2.gz JNUBDVVUBQFUEB-RBUKOAKNSA-N 2 1 349.563 3.339 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457797 1370761438 /nfs/dbraw/zinc/76/14/38/1370761438.db2.gz QKRLYKCTWDBEPH-QUCCMNQESA-N 2 1 349.563 3.147 20 30 EGEDMP C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@@H]1C[NH3+] ZINC001206004132 1370935561 /nfs/dbraw/zinc/93/55/61/1370935561.db2.gz QPCQKGXBJDVLRS-QWHCGFSZSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@@H]1C[NH3+] ZINC001206004132 1370935563 /nfs/dbraw/zinc/93/55/63/1370935563.db2.gz QPCQKGXBJDVLRS-QWHCGFSZSA-N 2 1 336.277 3.128 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431140 1371574037 /nfs/dbraw/zinc/57/40/37/1371574037.db2.gz PZMGSINMXICXEJ-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431140 1371574041 /nfs/dbraw/zinc/57/40/41/1371574041.db2.gz PZMGSINMXICXEJ-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431140 1371574044 /nfs/dbraw/zinc/57/40/44/1371574044.db2.gz PZMGSINMXICXEJ-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187858119 1388178909 /nfs/dbraw/zinc/17/89/09/1388178909.db2.gz XMZKELYLQXSDKW-SLFFLAALSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187858119 1388178913 /nfs/dbraw/zinc/17/89/13/1388178913.db2.gz XMZKELYLQXSDKW-SLFFLAALSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001187858119 1388178917 /nfs/dbraw/zinc/17/89/17/1388178917.db2.gz XMZKELYLQXSDKW-SLFFLAALSA-N 2 1 349.563 3.362 20 30 EGEDMP C=CCCCCCCN1CCCn2c(CN(C)C(C)C)nnc2C1 ZINC001209437856 1372106542 /nfs/dbraw/zinc/10/65/42/1372106542.db2.gz WUWAZIWLXJVROB-UHFFFAOYSA-N 2 1 333.524 3.461 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210642077 1372398245 /nfs/dbraw/zinc/39/82/45/1372398245.db2.gz AUCKYNYKRBFKIJ-WOJBJXKFSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349644 1372538492 /nfs/dbraw/zinc/53/84/92/1372538492.db2.gz ILWQUXUHQBUWQY-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001221544157 1373778797 /nfs/dbraw/zinc/77/87/97/1373778797.db2.gz PARVGDUCDGADAZ-VAMGGRTRSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001221544157 1373778800 /nfs/dbraw/zinc/77/88/00/1373778800.db2.gz PARVGDUCDGADAZ-VAMGGRTRSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001221544157 1373778803 /nfs/dbraw/zinc/77/88/03/1373778803.db2.gz PARVGDUCDGADAZ-VAMGGRTRSA-N 2 1 349.563 3.362 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221562094 1373781788 /nfs/dbraw/zinc/78/17/88/1373781788.db2.gz LHYXEXFYYJBVOP-IYWMVGAKSA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221562094 1373781793 /nfs/dbraw/zinc/78/17/93/1373781793.db2.gz LHYXEXFYYJBVOP-IYWMVGAKSA-N 2 1 349.563 3.220 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001221562094 1373781795 /nfs/dbraw/zinc/78/17/95/1373781795.db2.gz LHYXEXFYYJBVOP-IYWMVGAKSA-N 2 1 349.563 3.220 20 30 EGEDMP C=CCCCCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223164313 1375033399 /nfs/dbraw/zinc/03/33/99/1375033399.db2.gz JWVCDFMOCBQJRC-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001132041662 1375112769 /nfs/dbraw/zinc/11/27/69/1375112769.db2.gz IPTIXNFBRLNKHL-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132141598 1375167179 /nfs/dbraw/zinc/16/71/79/1375167179.db2.gz SMDJKKBNAMOMKA-DLBZAZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141598 1375167183 /nfs/dbraw/zinc/16/71/83/1375167183.db2.gz SMDJKKBNAMOMKA-DLBZAZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132141598 1375167187 /nfs/dbraw/zinc/16/71/87/1375167187.db2.gz SMDJKKBNAMOMKA-DLBZAZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132211721 1375211814 /nfs/dbraw/zinc/21/18/14/1375211814.db2.gz QMMYFFHCYSCUGZ-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226333912 1375242012 /nfs/dbraw/zinc/24/20/12/1375242012.db2.gz PVRZHOITRVBPMY-KZNAEPCWSA-N 2 1 346.519 3.380 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494230 1375424544 /nfs/dbraw/zinc/42/45/44/1375424544.db2.gz PXSZXELRRRZZCH-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494236 1375424647 /nfs/dbraw/zinc/42/46/47/1375424647.db2.gz PXSZXELRRRZZCH-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548530 1375455288 /nfs/dbraw/zinc/45/52/88/1375455288.db2.gz FBJBJVIOMYMNCA-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132942208 1375663411 /nfs/dbraw/zinc/66/34/11/1375663411.db2.gz YGNAPFRFBLOQAO-ROUUACIJSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791099 1376724031 /nfs/dbraw/zinc/72/40/31/1376724031.db2.gz NUNRWFVJHKMBTH-IAGOWNOFSA-N 2 1 337.552 3.479 20 30 EGEDMP COCC[N@H+](Cc1ccccc1C#Cc1ccccc1)C1CC[NH2+]CC1 ZINC001235945025 1376922378 /nfs/dbraw/zinc/92/23/78/1376922378.db2.gz QOFQHIDINIWGPD-UHFFFAOYSA-N 2 1 348.490 3.287 20 30 EGEDMP COCC[N@@H+](Cc1ccccc1C#Cc1ccccc1)C1CC[NH2+]CC1 ZINC001235945025 1376922384 /nfs/dbraw/zinc/92/23/84/1376922384.db2.gz QOFQHIDINIWGPD-UHFFFAOYSA-N 2 1 348.490 3.287 20 30 EGEDMP C=CCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476618 1377110743 /nfs/dbraw/zinc/11/07/43/1377110743.db2.gz LJGKZLNBBUBUDJ-ZWKOTPCHSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601779 1377159663 /nfs/dbraw/zinc/15/96/63/1377159663.db2.gz XUZYCLQSYZUPFF-IRXDYDNUSA-N 2 1 334.508 3.236 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900167 1379294451 /nfs/dbraw/zinc/29/44/51/1379294451.db2.gz UCVRDSXNBOXMPS-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677400 1380113722 /nfs/dbraw/zinc/11/37/22/1380113722.db2.gz BKAKOIFHZZVWJL-OAHLLOKOSA-N 2 1 337.533 3.216 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824000 1380137408 /nfs/dbraw/zinc/13/74/08/1380137408.db2.gz HEBBVTCXCLECDS-SJLPKXTDSA-N 2 1 325.541 3.124 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158067239 1381118867 /nfs/dbraw/zinc/11/88/67/1381118867.db2.gz YFOXMDSYPSMLEP-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158067239 1381118870 /nfs/dbraw/zinc/11/88/70/1381118870.db2.gz YFOXMDSYPSMLEP-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158067239 1381118877 /nfs/dbraw/zinc/11/88/77/1381118877.db2.gz YFOXMDSYPSMLEP-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC001158605323 1381316862 /nfs/dbraw/zinc/31/68/62/1381316862.db2.gz VIXZNKNQPPZJKZ-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001158605323 1381316868 /nfs/dbraw/zinc/31/68/68/1381316868.db2.gz VIXZNKNQPPZJKZ-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001158605323 1381316874 /nfs/dbraw/zinc/31/68/74/1381316874.db2.gz VIXZNKNQPPZJKZ-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207002 1382340893 /nfs/dbraw/zinc/34/08/93/1382340893.db2.gz OONQUWUWRUXXOV-AZUAARDMSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207002 1382340895 /nfs/dbraw/zinc/34/08/95/1382340895.db2.gz OONQUWUWRUXXOV-AZUAARDMSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161207002 1382340899 /nfs/dbraw/zinc/34/08/99/1382340899.db2.gz OONQUWUWRUXXOV-AZUAARDMSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161238848 1382351225 /nfs/dbraw/zinc/35/12/25/1382351225.db2.gz AQACQRASQNHKHF-IBGZPJMESA-N 2 1 337.552 3.435 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161240550 1382351856 /nfs/dbraw/zinc/35/18/56/1382351856.db2.gz WTCQTWGUXPRIJZ-IBGZPJMESA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164492242 1383193095 /nfs/dbraw/zinc/19/30/95/1383193095.db2.gz YOXYIMDMLQPZTR-PKOBYXMFSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473271 1383300095 /nfs/dbraw/zinc/30/00/95/1383300095.db2.gz ZGAGHLKPIKOPEC-OALUTQOASA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240972 1383573239 /nfs/dbraw/zinc/57/32/39/1383573239.db2.gz XVNGNXZNIKPHRZ-KRWDZBQOSA-N 2 1 337.552 3.195 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385635 1383619137 /nfs/dbraw/zinc/61/91/37/1383619137.db2.gz LQDYHXCUKUQNQO-RBUKOAKNSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168290838 1383865131 /nfs/dbraw/zinc/86/51/31/1383865131.db2.gz KLSLUDULTXMEBP-KDURUIRLSA-N 2 1 349.563 3.482 20 30 EGEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001168326971 1383873211 /nfs/dbraw/zinc/87/32/11/1383873211.db2.gz GUIIGZNMZMQYGM-CTWPCTMYSA-N 2 1 327.472 3.274 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335413 1383876026 /nfs/dbraw/zinc/87/60/26/1383876026.db2.gz IACISLCKOLQXKL-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169799656 1384187266 /nfs/dbraw/zinc/18/72/66/1384187266.db2.gz WTWUKKOCPPKEQI-QZTJIDSGSA-N 2 1 325.541 3.316 20 30 EGEDMP Cc1cc(N([C@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001171231334 1384474912 /nfs/dbraw/zinc/47/49/12/1384474912.db2.gz IPNOZOITKZSZMZ-MRXNPFEDSA-N 2 1 349.482 3.155 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171634184 1384587332 /nfs/dbraw/zinc/58/73/32/1384587332.db2.gz OARRKAWCOPPMEI-DLBZAZTESA-N 2 1 343.943 3.124 20 30 EGEDMP C=CCN1CC[C@]2(CCC[N@H+](C3CCC([NH+](CC)CC)CC3)C2)C1=O ZINC001173112082 1384916942 /nfs/dbraw/zinc/91/69/42/1384916942.db2.gz WGNPDJDHPYZBDX-GRERDSQWSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179651587 1386540349 /nfs/dbraw/zinc/54/03/49/1386540349.db2.gz JIUXTPMGVHDJNY-SQNIBIBYSA-N 2 1 346.519 3.330 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369600 1387157706 /nfs/dbraw/zinc/15/77/06/1387157706.db2.gz SKOCDMYJEIDZGE-XLIFZOOWSA-N 2 1 349.563 3.146 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182807595 1387228149 /nfs/dbraw/zinc/22/81/49/1387228149.db2.gz VFILVSRNYOGYED-SFHLNBCPSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182897431 1387241492 /nfs/dbraw/zinc/24/14/92/1387241492.db2.gz YNIXYGIFJOEMSN-YLJYHZDGSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001717129158 1421130143 /nfs/dbraw/zinc/13/01/43/1421130143.db2.gz AHKXGUFAOJSFJF-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001753112943 1440309528 /nfs/dbraw/zinc/30/95/28/1440309528.db2.gz FCBHTXOATXFYMA-YLJYHZDGSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001753569508 1440438214 /nfs/dbraw/zinc/43/82/14/1440438214.db2.gz WRKNYGSCUMPCFH-LJQANCHMSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753877002 1440519707 /nfs/dbraw/zinc/51/97/07/1440519707.db2.gz CYIZCHDSEJLIPJ-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754582156 1440638889 /nfs/dbraw/zinc/63/88/89/1440638889.db2.gz NGRRMWIRRHTLMI-PXNSSMCTSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001754947574 1440713783 /nfs/dbraw/zinc/71/37/83/1440713783.db2.gz OOZNVUPQSHGKQS-APWZRJJASA-N 2 1 329.488 3.014 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001754948915 1440714379 /nfs/dbraw/zinc/71/43/79/1440714379.db2.gz RVUMIIMZLPYUST-WBVHZDCISA-N 2 1 349.906 3.048 20 30 EGEDMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001755079315 1440750290 /nfs/dbraw/zinc/75/02/90/1440750290.db2.gz HZZQORPQJBCRGX-NRFANRHFSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001755079315 1440750291 /nfs/dbraw/zinc/75/02/91/1440750291.db2.gz HZZQORPQJBCRGX-NRFANRHFSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001755079315 1440750292 /nfs/dbraw/zinc/75/02/92/1440750292.db2.gz HZZQORPQJBCRGX-NRFANRHFSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001755716626 1440905364 /nfs/dbraw/zinc/90/53/64/1440905364.db2.gz NLXVUYVNAWVEAG-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001755893158 1440942121 /nfs/dbraw/zinc/94/21/21/1440942121.db2.gz KGFZVYHRUNRUHM-ICSRJNTNSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001755893158 1440942122 /nfs/dbraw/zinc/94/21/22/1440942122.db2.gz KGFZVYHRUNRUHM-ICSRJNTNSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001755893158 1440942123 /nfs/dbraw/zinc/94/21/23/1440942123.db2.gz KGFZVYHRUNRUHM-ICSRJNTNSA-N 2 1 349.563 3.435 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)oc1C ZINC000111412067 220152581 /nfs/dbraw/zinc/15/25/81/220152581.db2.gz ULFRARFWQBENNA-UHFFFAOYSA-N 2 1 338.455 3.165 20 30 EGEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(C#N)n(C)c2)C[N@H+]1Cc1ccccc1 ZINC000480305040 267783106 /nfs/dbraw/zinc/78/31/06/267783106.db2.gz DBZYAXCMRIDKQG-MJGOQNOKSA-N 2 1 336.483 3.287 20 30 EGEDMP CC(C)(CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000180987572 455272641 /nfs/dbraw/zinc/27/26/41/455272641.db2.gz CXDNFSSBPXVRDL-IBGZPJMESA-N 2 1 329.488 3.063 20 30 EGEDMP C=C(C)COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253965 454542716 /nfs/dbraw/zinc/54/27/16/454542716.db2.gz ZSCWKEOQFRHPRI-GOSISDBHSA-N 2 1 332.488 3.424 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253965 454542721 /nfs/dbraw/zinc/54/27/21/454542721.db2.gz ZSCWKEOQFRHPRI-GOSISDBHSA-N 2 1 332.488 3.424 20 30 EGEDMP C=C(C)COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000092253965 454542725 /nfs/dbraw/zinc/54/27/25/454542725.db2.gz ZSCWKEOQFRHPRI-GOSISDBHSA-N 2 1 332.488 3.424 20 30 EGEDMP C=C(C)COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000092253965 454542730 /nfs/dbraw/zinc/54/27/30/454542730.db2.gz ZSCWKEOQFRHPRI-GOSISDBHSA-N 2 1 332.488 3.424 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123194989 454613326 /nfs/dbraw/zinc/61/33/26/454613326.db2.gz OUWVXJMMWLKSEI-DLBZAZTESA-N 2 1 337.508 3.062 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660105 454727215 /nfs/dbraw/zinc/72/72/15/454727215.db2.gz WKRSMPRZLQAXAH-LJQANCHMSA-N 2 1 328.504 3.343 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000093660105 454727217 /nfs/dbraw/zinc/72/72/17/454727217.db2.gz WKRSMPRZLQAXAH-LJQANCHMSA-N 2 1 328.504 3.343 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000093660105 454727220 /nfs/dbraw/zinc/72/72/20/454727220.db2.gz WKRSMPRZLQAXAH-LJQANCHMSA-N 2 1 328.504 3.343 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C#N)c1 ZINC000182248256 455471889 /nfs/dbraw/zinc/47/18/89/455471889.db2.gz YOSKIMXRQHOLSK-VGOFRKELSA-N 2 1 349.478 3.366 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000267440884 455550947 /nfs/dbraw/zinc/55/09/47/455550947.db2.gz OZOMUOFULNNSBO-SFHVURJKSA-N 2 1 338.455 3.086 20 30 EGEDMP C=CCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247930234 455656533 /nfs/dbraw/zinc/65/65/33/455656533.db2.gz BXVXQYQLFPDFDS-HKBOAZHASA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247930234 455656536 /nfs/dbraw/zinc/65/65/36/455656536.db2.gz BXVXQYQLFPDFDS-HKBOAZHASA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247930234 455656540 /nfs/dbraw/zinc/65/65/40/455656540.db2.gz BXVXQYQLFPDFDS-HKBOAZHASA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000248461880 455715779 /nfs/dbraw/zinc/71/57/79/455715779.db2.gz XWACJGNTXVTMPZ-SFTDATJTSA-N 2 1 328.500 3.478 20 30 EGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286003581 455958712 /nfs/dbraw/zinc/95/87/12/455958712.db2.gz IUADDIDSYIGMOT-LJQANCHMSA-N 2 1 340.515 3.237 20 30 EGEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000262026918 455987222 /nfs/dbraw/zinc/98/72/22/455987222.db2.gz ZUZKYLCCXNHRME-SNVBAGLBSA-N 2 1 340.258 3.164 20 30 EGEDMP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000289221424 456117302 /nfs/dbraw/zinc/11/73/02/456117302.db2.gz JIWIFGFIOJYQOS-GOSISDBHSA-N 2 1 334.463 3.178 20 30 EGEDMP C#Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1 ZINC000289221424 456117305 /nfs/dbraw/zinc/11/73/05/456117305.db2.gz JIWIFGFIOJYQOS-GOSISDBHSA-N 2 1 334.463 3.178 20 30 EGEDMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000275713814 456294809 /nfs/dbraw/zinc/29/48/09/456294809.db2.gz RWMVMEYHFOGUQN-GOSISDBHSA-N 2 1 340.515 3.110 20 30 EGEDMP COc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1C#N ZINC000281727489 456304582 /nfs/dbraw/zinc/30/45/82/456304582.db2.gz POUNJNKXLWOZRC-UHFFFAOYSA-N 2 1 349.478 3.364 20 30 EGEDMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc(OC)c1O ZINC000353754841 456892248 /nfs/dbraw/zinc/89/22/48/456892248.db2.gz QPAPWKFPGFGTOF-CRAIPNDOSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc(OC)c1O ZINC000353754841 456892251 /nfs/dbraw/zinc/89/22/51/456892251.db2.gz QPAPWKFPGFGTOF-CRAIPNDOSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc(OC)c1O ZINC000353754841 456892255 /nfs/dbraw/zinc/89/22/55/456892255.db2.gz QPAPWKFPGFGTOF-CRAIPNDOSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc(OC)c1O ZINC000353754841 456892258 /nfs/dbraw/zinc/89/22/58/456892258.db2.gz QPAPWKFPGFGTOF-CRAIPNDOSA-N 2 1 332.488 3.434 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)C2 ZINC000329499604 456900672 /nfs/dbraw/zinc/90/06/72/456900672.db2.gz HCEVVFMUGGNQIF-ANQUJSFKSA-N 2 1 332.492 3.077 20 30 EGEDMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868672 457393973 /nfs/dbraw/zinc/39/39/73/457393973.db2.gz AFMKSWHIABQMRX-LAUBAEHRSA-N 2 1 341.499 3.416 20 30 EGEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCC(C)(C)C#N)CC2)CC1 ZINC000420986056 458406341 /nfs/dbraw/zinc/40/63/41/458406341.db2.gz XMQOEULTFIBYSH-UHFFFAOYSA-N 2 1 334.552 3.198 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494657569 458721052 /nfs/dbraw/zinc/72/10/52/458721052.db2.gz AQOGQSNKJVFILW-HZPDHXFCSA-N 2 1 339.524 3.308 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000491071338 459596131 /nfs/dbraw/zinc/59/61/31/459596131.db2.gz JWMLCCQNZOTODA-QGZVFWFLSA-N 2 1 344.503 3.166 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000491071338 459596141 /nfs/dbraw/zinc/59/61/41/459596141.db2.gz JWMLCCQNZOTODA-QGZVFWFLSA-N 2 1 344.503 3.166 20 30 EGEDMP CC1(C#N)CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000563935055 459769353 /nfs/dbraw/zinc/76/93/53/459769353.db2.gz VWNZVGGAZWINLM-KBWCOIMZSA-N 2 1 341.499 3.205 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602485860 459962523 /nfs/dbraw/zinc/96/25/23/459962523.db2.gz SZMIEWWMLVBDIT-KRWDZBQOSA-N 2 1 326.488 3.430 20 30 EGEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000598728566 460008440 /nfs/dbraw/zinc/00/84/40/460008440.db2.gz VFHYUIBCHAQFRT-PMACEKPBSA-N 2 1 343.515 3.179 20 30 EGEDMP C=CC[C@@]1(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CCC[NH2+]1 ZINC000662826249 461384488 /nfs/dbraw/zinc/38/44/88/461384488.db2.gz XTNOJGBHGCXTEX-NQIIRXRSSA-N 2 1 347.547 3.188 20 30 EGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093742320 1292930533 /nfs/dbraw/zinc/93/05/33/1292930533.db2.gz AERPDAAMRULBFB-LJQANCHMSA-N 2 1 328.504 3.200 20 30 EGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093742320 1292930540 /nfs/dbraw/zinc/93/05/40/1292930540.db2.gz AERPDAAMRULBFB-LJQANCHMSA-N 2 1 328.504 3.200 20 30 EGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093742320 1292930545 /nfs/dbraw/zinc/93/05/45/1292930545.db2.gz AERPDAAMRULBFB-LJQANCHMSA-N 2 1 328.504 3.200 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCC)C2)ccc1OC ZINC000127286448 1293558129 /nfs/dbraw/zinc/55/81/29/1293558129.db2.gz UEXHFQITMAZHCI-SFHVURJKSA-N 2 1 332.488 3.472 20 30 EGEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000157401279 1294177601 /nfs/dbraw/zinc/17/76/01/1294177601.db2.gz RHVYVUPPMNWOEV-INIZCTEOSA-N 2 1 328.504 3.270 20 30 EGEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000262256992 1296624002 /nfs/dbraw/zinc/62/40/02/1296624002.db2.gz FPRVFXSISVOSHN-MRXNPFEDSA-N 2 1 344.409 3.356 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1Cl ZINC000305038087 1296953922 /nfs/dbraw/zinc/95/39/22/1296953922.db2.gz UFARJPSGRLISNN-CYBMUJFWSA-N 2 1 338.883 3.053 20 30 EGEDMP C#CCSCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781421612 1304825629 /nfs/dbraw/zinc/82/56/29/1304825629.db2.gz HTCSWFOZKOKMNB-VAMGGRTRSA-N 2 1 328.525 3.243 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813327041 1318533647 /nfs/dbraw/zinc/53/36/47/1318533647.db2.gz YOSPZKDUVIEXIU-RXVVDRJESA-N 2 1 327.516 3.280 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813327041 1318533654 /nfs/dbraw/zinc/53/36/54/1318533654.db2.gz YOSPZKDUVIEXIU-RXVVDRJESA-N 2 1 327.516 3.280 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000813327044 1318534014 /nfs/dbraw/zinc/53/40/14/1318534014.db2.gz YOSPZKDUVIEXIU-WIYYLYMNSA-N 2 1 327.516 3.280 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000813327044 1318534024 /nfs/dbraw/zinc/53/40/24/1318534024.db2.gz YOSPZKDUVIEXIU-WIYYLYMNSA-N 2 1 327.516 3.280 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000815652404 1319036728 /nfs/dbraw/zinc/03/67/28/1319036728.db2.gz BCEKSOHJWRIGBL-CYBMUJFWSA-N 2 1 341.268 3.064 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000815652404 1319036732 /nfs/dbraw/zinc/03/67/32/1319036732.db2.gz BCEKSOHJWRIGBL-CYBMUJFWSA-N 2 1 341.268 3.064 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000815652767 1319038037 /nfs/dbraw/zinc/03/80/37/1319038037.db2.gz RUYZLEXSEAXGFY-GFCCVEGCSA-N 2 1 329.307 3.425 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)c(Br)s1 ZINC000815652767 1319038047 /nfs/dbraw/zinc/03/80/47/1319038047.db2.gz RUYZLEXSEAXGFY-GFCCVEGCSA-N 2 1 329.307 3.425 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369524 1319482980 /nfs/dbraw/zinc/48/29/80/1319482980.db2.gz FFBOIVFUTCCLLE-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369524 1319482982 /nfs/dbraw/zinc/48/29/82/1319482982.db2.gz FFBOIVFUTCCLLE-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369524 1319482988 /nfs/dbraw/zinc/48/29/88/1319482988.db2.gz FFBOIVFUTCCLLE-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819025131 1319618575 /nfs/dbraw/zinc/61/85/75/1319618575.db2.gz YWNUKSKIZZZBDU-QGZVFWFLSA-N 2 1 342.405 3.369 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024739078 1323638981 /nfs/dbraw/zinc/63/89/81/1323638981.db2.gz XMTYRNJULWHYSK-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024818717 1323724445 /nfs/dbraw/zinc/72/44/45/1323724445.db2.gz HFPHKPFQIUMUJE-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345034 1325136481 /nfs/dbraw/zinc/13/64/81/1325136481.db2.gz CWMBKOLPVZRSQT-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001027647332 1328026562 /nfs/dbraw/zinc/02/65/62/1328026562.db2.gz NWSCVOBKDLOWBY-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001027647332 1328026565 /nfs/dbraw/zinc/02/65/65/1328026565.db2.gz NWSCVOBKDLOWBY-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001027647332 1328026570 /nfs/dbraw/zinc/02/65/70/1328026570.db2.gz NWSCVOBKDLOWBY-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108254 1328187248 /nfs/dbraw/zinc/18/72/48/1328187248.db2.gz WWNLQQHIXHLMOM-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948079658 1333368650 /nfs/dbraw/zinc/36/86/50/1333368650.db2.gz YTUINLVSFJZGGW-IAGOWNOFSA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948852052 1333709402 /nfs/dbraw/zinc/70/94/02/1333709402.db2.gz HMWYOBPFGSODFT-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791555 1338728529 /nfs/dbraw/zinc/72/85/29/1338728529.db2.gz TYALPWTZXDWOFQ-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081251 1341718203 /nfs/dbraw/zinc/71/82/03/1341718203.db2.gz GROYTWAGWHZCLG-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081251 1341718204 /nfs/dbraw/zinc/71/82/04/1341718204.db2.gz GROYTWAGWHZCLG-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081251 1341718205 /nfs/dbraw/zinc/71/82/05/1341718205.db2.gz GROYTWAGWHZCLG-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573727 1341879027 /nfs/dbraw/zinc/87/90/27/1341879027.db2.gz IZHJSUSUDDKRNU-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573727 1341879028 /nfs/dbraw/zinc/87/90/28/1341879028.db2.gz IZHJSUSUDDKRNU-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033573727 1341879029 /nfs/dbraw/zinc/87/90/29/1341879029.db2.gz IZHJSUSUDDKRNU-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210307 1342319821 /nfs/dbraw/zinc/31/98/21/1342319821.db2.gz GLOVXHWUXQQYON-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210307 1342319825 /nfs/dbraw/zinc/31/98/25/1342319825.db2.gz GLOVXHWUXQQYON-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210307 1342319826 /nfs/dbraw/zinc/31/98/26/1342319826.db2.gz GLOVXHWUXQQYON-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437567 1342500342 /nfs/dbraw/zinc/50/03/42/1342500342.db2.gz HJOKZYBVJPSMLJ-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037934166 1344189719 /nfs/dbraw/zinc/18/97/19/1344189719.db2.gz LDQKEBSQGYWSJD-QZTJIDSGSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039301712 1345004216 /nfs/dbraw/zinc/00/42/16/1345004216.db2.gz NLOYLKLWJVSUPW-NXEWRWPSSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001039397330 1345045005 /nfs/dbraw/zinc/04/50/05/1345045005.db2.gz FOELVXQQGWYVKU-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397330 1345045009 /nfs/dbraw/zinc/04/50/09/1345045009.db2.gz FOELVXQQGWYVKU-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001039397330 1345045013 /nfs/dbraw/zinc/04/50/13/1345045013.db2.gz FOELVXQQGWYVKU-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001040912949 1345599206 /nfs/dbraw/zinc/59/92/06/1345599206.db2.gz WLQREEDLBWDQGE-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041781845 1345847825 /nfs/dbraw/zinc/84/78/25/1345847825.db2.gz LEOKGKFDGTYSPX-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041781845 1345847826 /nfs/dbraw/zinc/84/78/26/1345847826.db2.gz LEOKGKFDGTYSPX-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041781845 1345847827 /nfs/dbraw/zinc/84/78/27/1345847827.db2.gz LEOKGKFDGTYSPX-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125201 1345950382 /nfs/dbraw/zinc/95/03/82/1345950382.db2.gz PLVASJILLSJPDG-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125201 1345950383 /nfs/dbraw/zinc/95/03/83/1345950383.db2.gz PLVASJILLSJPDG-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125201 1345950384 /nfs/dbraw/zinc/95/03/84/1345950384.db2.gz PLVASJILLSJPDG-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001045441897 1346594745 /nfs/dbraw/zinc/59/47/45/1346594745.db2.gz LOLFYPCJAFOCCO-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958350 1346793477 /nfs/dbraw/zinc/79/34/77/1346793477.db2.gz QIFFWYRIOVUXEH-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319410 1346933571 /nfs/dbraw/zinc/93/35/71/1346933571.db2.gz RJMJSNZCVYUKQK-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319410 1346933572 /nfs/dbraw/zinc/93/35/72/1346933572.db2.gz RJMJSNZCVYUKQK-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319410 1346933574 /nfs/dbraw/zinc/93/35/74/1346933574.db2.gz RJMJSNZCVYUKQK-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700970 1357350324 /nfs/dbraw/zinc/35/03/24/1357350324.db2.gz REKVPAFPEDUVGX-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001079700970 1357350327 /nfs/dbraw/zinc/35/03/27/1357350327.db2.gz REKVPAFPEDUVGX-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001079700970 1357350332 /nfs/dbraw/zinc/35/03/32/1357350332.db2.gz REKVPAFPEDUVGX-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761489 1348006379 /nfs/dbraw/zinc/00/63/79/1348006379.db2.gz KUUBZSYTAZKYCA-ROUUACIJSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761489 1348006380 /nfs/dbraw/zinc/00/63/80/1348006380.db2.gz KUUBZSYTAZKYCA-ROUUACIJSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913517 1348108970 /nfs/dbraw/zinc/10/89/70/1348108970.db2.gz ZFDIYKBPBLBMLS-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381871 1348537240 /nfs/dbraw/zinc/53/72/40/1348537240.db2.gz ZRGCKFGBHIBBDN-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381871 1348537242 /nfs/dbraw/zinc/53/72/42/1348537242.db2.gz ZRGCKFGBHIBBDN-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381871 1348537244 /nfs/dbraw/zinc/53/72/44/1348537244.db2.gz ZRGCKFGBHIBBDN-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052860012 1348705822 /nfs/dbraw/zinc/70/58/22/1348705822.db2.gz PIAADVLFIPATIH-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860012 1348705825 /nfs/dbraw/zinc/70/58/25/1348705825.db2.gz PIAADVLFIPATIH-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860012 1348705827 /nfs/dbraw/zinc/70/58/27/1348705827.db2.gz PIAADVLFIPATIH-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054245321 1349239178 /nfs/dbraw/zinc/23/91/78/1349239178.db2.gz RMHZTXOOPUTICY-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245321 1349239181 /nfs/dbraw/zinc/23/91/81/1349239181.db2.gz RMHZTXOOPUTICY-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054245321 1349239183 /nfs/dbraw/zinc/23/91/83/1349239183.db2.gz RMHZTXOOPUTICY-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072110164 1355136803 /nfs/dbraw/zinc/13/68/03/1355136803.db2.gz TWTDNPBOGWGXDH-IAGOWNOFSA-N 2 1 347.503 3.280 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398501 1387306799 /nfs/dbraw/zinc/30/67/99/1387306799.db2.gz CGLGHQVYOKXYJI-YLJYHZDGSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781903 1358757027 /nfs/dbraw/zinc/75/70/27/1358757027.db2.gz HWILRNMKRXXKRD-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781903 1358757031 /nfs/dbraw/zinc/75/70/31/1358757031.db2.gz HWILRNMKRXXKRD-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781903 1358757034 /nfs/dbraw/zinc/75/70/34/1358757034.db2.gz HWILRNMKRXXKRD-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086927346 1359252641 /nfs/dbraw/zinc/25/26/41/1359252641.db2.gz ZTPQVEAPNAVEBR-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001088367628 1359851411 /nfs/dbraw/zinc/85/14/11/1359851411.db2.gz OURHPOYXHFYIMY-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089405424 1360403831 /nfs/dbraw/zinc/40/38/31/1360403831.db2.gz BTTFWXMBJGBMIN-MJGOQNOKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089405424 1360403835 /nfs/dbraw/zinc/40/38/35/1360403835.db2.gz BTTFWXMBJGBMIN-MJGOQNOKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089405424 1360403837 /nfs/dbraw/zinc/40/38/37/1360403837.db2.gz BTTFWXMBJGBMIN-MJGOQNOKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC(C)(C)C1 ZINC001089405423 1360404075 /nfs/dbraw/zinc/40/40/75/1360404075.db2.gz BTTFWXMBJGBMIN-IEBWSBKVSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089405423 1360404077 /nfs/dbraw/zinc/40/40/77/1360404077.db2.gz BTTFWXMBJGBMIN-IEBWSBKVSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)C1 ZINC001089405423 1360404078 /nfs/dbraw/zinc/40/40/78/1360404078.db2.gz BTTFWXMBJGBMIN-IEBWSBKVSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415892 1360409824 /nfs/dbraw/zinc/40/98/24/1360409824.db2.gz DWPSJGZALRDYJR-SFHVURJKSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533734 1360493927 /nfs/dbraw/zinc/49/39/27/1360493927.db2.gz IFOZYCMQWJVMRQ-IBGZPJMESA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089638980 1360552510 /nfs/dbraw/zinc/55/25/10/1360552510.db2.gz KUZSVQCVKTXKGH-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638980 1360552513 /nfs/dbraw/zinc/55/25/13/1360552513.db2.gz KUZSVQCVKTXKGH-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638980 1360552517 /nfs/dbraw/zinc/55/25/17/1360552517.db2.gz KUZSVQCVKTXKGH-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001089645940 1360558062 /nfs/dbraw/zinc/55/80/62/1360558062.db2.gz DSUZALCTYQFUSW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089645940 1360558064 /nfs/dbraw/zinc/55/80/64/1360558064.db2.gz DSUZALCTYQFUSW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001089645940 1360558067 /nfs/dbraw/zinc/55/80/67/1360558067.db2.gz DSUZALCTYQFUSW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089663591 1360573085 /nfs/dbraw/zinc/57/30/85/1360573085.db2.gz QDKTUKCPOAFBPR-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663591 1360573087 /nfs/dbraw/zinc/57/30/87/1360573087.db2.gz QDKTUKCPOAFBPR-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663591 1360573090 /nfs/dbraw/zinc/57/30/90/1360573090.db2.gz QDKTUKCPOAFBPR-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089663590 1360573635 /nfs/dbraw/zinc/57/36/35/1360573635.db2.gz QDKTUKCPOAFBPR-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663590 1360573637 /nfs/dbraw/zinc/57/36/37/1360573637.db2.gz QDKTUKCPOAFBPR-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089663590 1360573641 /nfs/dbraw/zinc/57/36/41/1360573641.db2.gz QDKTUKCPOAFBPR-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001099334543 1363756476 /nfs/dbraw/zinc/75/64/76/1363756476.db2.gz LVTDIXZOJCNARF-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099334543 1363756479 /nfs/dbraw/zinc/75/64/79/1363756479.db2.gz LVTDIXZOJCNARF-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001099334543 1363756481 /nfs/dbraw/zinc/75/64/81/1363756481.db2.gz LVTDIXZOJCNARF-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403381 1364103389 /nfs/dbraw/zinc/10/33/89/1364103389.db2.gz LYOODDKWGRFSBF-GPJFCIFZSA-N 2 1 349.563 3.195 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468507 1364125519 /nfs/dbraw/zinc/12/55/19/1364125519.db2.gz AQJDCPZCXKAFBE-UHFFFAOYSA-N 2 1 335.536 3.090 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001100848442 1364289913 /nfs/dbraw/zinc/28/99/13/1364289913.db2.gz MXPIZSGCBGORQI-CTWPCTMYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001101540346 1364606721 /nfs/dbraw/zinc/60/67/21/1364606721.db2.gz DFSDTEYNGLRTFA-IBGZPJMESA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101575009 1364629345 /nfs/dbraw/zinc/62/93/45/1364629345.db2.gz PEYRWNXBLPZDMN-HKUYNNGSSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001101580372 1364633627 /nfs/dbraw/zinc/63/36/27/1364633627.db2.gz VGSLWLCTQHKRTO-LJQANCHMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987736 1365328390 /nfs/dbraw/zinc/32/83/90/1365328390.db2.gz OSEPOCUFWJDUHT-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085399 1365373129 /nfs/dbraw/zinc/37/31/29/1365373129.db2.gz UBKOSFUKDZSLEF-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085399 1365373133 /nfs/dbraw/zinc/37/31/33/1365373133.db2.gz UBKOSFUKDZSLEF-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085399 1365373138 /nfs/dbraw/zinc/37/31/38/1365373138.db2.gz UBKOSFUKDZSLEF-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185549682 1387745703 /nfs/dbraw/zinc/74/57/03/1387745703.db2.gz RHBIXAAUYZMJBJ-MOPGFXCFSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103571105 1365644590 /nfs/dbraw/zinc/64/45/90/1365644590.db2.gz WQDZNKNOINEUFJ-HSALFYBXSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755289 1365766296 /nfs/dbraw/zinc/76/62/96/1365766296.db2.gz AHFOUGBRQFIQNH-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908797 1366219718 /nfs/dbraw/zinc/21/97/18/1366219718.db2.gz KYPGUGHRRGRSBK-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518296 1366505564 /nfs/dbraw/zinc/50/55/64/1366505564.db2.gz WELJDJSSCLWOGQ-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563716 1366533051 /nfs/dbraw/zinc/53/30/51/1366533051.db2.gz RCWARDSWZYJUCO-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105575170 1366540097 /nfs/dbraw/zinc/54/00/97/1366540097.db2.gz TTYISIDCNUMISE-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668148 1366769335 /nfs/dbraw/zinc/76/93/35/1366769335.db2.gz FEJSVCRMDOXOAT-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106859931 1366818349 /nfs/dbraw/zinc/81/83/49/1366818349.db2.gz ALLXUHBLGDYTBT-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001109289913 1367040449 /nfs/dbraw/zinc/04/04/49/1367040449.db2.gz RIUHMBKZNXEALP-RDGPPVDQSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109563227 1367200236 /nfs/dbraw/zinc/20/02/36/1367200236.db2.gz MQWGBMPVNBEMNN-AABGKKOBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109563227 1367200239 /nfs/dbraw/zinc/20/02/39/1367200239.db2.gz MQWGBMPVNBEMNN-AABGKKOBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109563227 1367200246 /nfs/dbraw/zinc/20/02/46/1367200246.db2.gz MQWGBMPVNBEMNN-AABGKKOBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565126 1367202236 /nfs/dbraw/zinc/20/22/36/1367202236.db2.gz ARAFPRAHHYLELD-YRXWBPOGSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841120 1367351659 /nfs/dbraw/zinc/35/16/59/1367351659.db2.gz IPYRCWPWYAKHCG-AABGKKOBSA-N 2 1 341.499 3.050 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860246 1367364551 /nfs/dbraw/zinc/36/45/51/1367364551.db2.gz RVODZSCJIIPVDL-XWSJACJDSA-N 2 1 335.536 3.041 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001110569320 1367838721 /nfs/dbraw/zinc/83/87/21/1367838721.db2.gz JRAJVMNUHUVKOU-WCIQWLHISA-N 2 1 347.547 3.020 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641673 1367840827 /nfs/dbraw/zinc/84/08/27/1367840827.db2.gz MKZXFJPKKARPEW-ZWKOTPCHSA-N 2 1 346.519 3.284 20 30 EGEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641673 1367840830 /nfs/dbraw/zinc/84/08/30/1367840830.db2.gz MKZXFJPKKARPEW-ZWKOTPCHSA-N 2 1 346.519 3.284 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028879 1368144952 /nfs/dbraw/zinc/14/49/52/1368144952.db2.gz VJRJOJQOKAZRRP-MLHJIOFPSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028879 1368144957 /nfs/dbraw/zinc/14/49/57/1368144957.db2.gz VJRJOJQOKAZRRP-MLHJIOFPSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028879 1368144962 /nfs/dbraw/zinc/14/49/62/1368144962.db2.gz VJRJOJQOKAZRRP-MLHJIOFPSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101252 1368159192 /nfs/dbraw/zinc/15/91/92/1368159192.db2.gz QVUJWGQSLXLJSS-KURKYZTESA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111101252 1368159195 /nfs/dbraw/zinc/15/91/95/1368159195.db2.gz QVUJWGQSLXLJSS-KURKYZTESA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406913 1368254550 /nfs/dbraw/zinc/25/45/50/1368254550.db2.gz DEVGAOFWADSKEM-QGZVFWFLSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111870528 1368518296 /nfs/dbraw/zinc/51/82/96/1368518296.db2.gz AYCKJICSFMROCB-DYXWJJEUSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870528 1368518298 /nfs/dbraw/zinc/51/82/98/1368518298.db2.gz AYCKJICSFMROCB-DYXWJJEUSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111870528 1368518300 /nfs/dbraw/zinc/51/83/00/1368518300.db2.gz AYCKJICSFMROCB-DYXWJJEUSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163387 1368560477 /nfs/dbraw/zinc/56/04/77/1368560477.db2.gz NBBFUBSUIQGSME-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163387 1368560480 /nfs/dbraw/zinc/56/04/80/1368560480.db2.gz NBBFUBSUIQGSME-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163387 1368560482 /nfs/dbraw/zinc/56/04/82/1368560482.db2.gz NBBFUBSUIQGSME-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641320 1368654470 /nfs/dbraw/zinc/65/44/70/1368654470.db2.gz ACDNKSLGQMKHHG-UHFFFAOYSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641320 1368654472 /nfs/dbraw/zinc/65/44/72/1368654472.db2.gz ACDNKSLGQMKHHG-UHFFFAOYSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641320 1368654474 /nfs/dbraw/zinc/65/44/74/1368654474.db2.gz ACDNKSLGQMKHHG-UHFFFAOYSA-N 2 1 335.536 3.142 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196717897 1368668743 /nfs/dbraw/zinc/66/87/43/1368668743.db2.gz FEHNOJHPFGZTME-UHFFFAOYSA-N 2 1 337.552 3.366 20 30 EGEDMP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001196936843 1368717540 /nfs/dbraw/zinc/71/75/40/1368717540.db2.gz VLIXYDOOWCRGQM-SFTDATJTSA-N 2 1 341.499 3.178 20 30 EGEDMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001196936843 1368717547 /nfs/dbraw/zinc/71/75/47/1368717547.db2.gz VLIXYDOOWCRGQM-SFTDATJTSA-N 2 1 341.499 3.178 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197332668 1368790082 /nfs/dbraw/zinc/79/00/82/1368790082.db2.gz YAVIKTAFDMXBRL-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332668 1368790086 /nfs/dbraw/zinc/79/00/86/1368790086.db2.gz YAVIKTAFDMXBRL-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332668 1368790088 /nfs/dbraw/zinc/79/00/88/1368790088.db2.gz YAVIKTAFDMXBRL-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197331857 1368790603 /nfs/dbraw/zinc/79/06/03/1368790603.db2.gz PARICMAIFWRLMN-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531660 1368916954 /nfs/dbraw/zinc/91/69/54/1368916954.db2.gz JXJWRFMZXVPPSY-RXVVDRJESA-N 2 1 349.563 3.149 20 30 EGEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001112560859 1368927802 /nfs/dbraw/zinc/92/78/02/1368927802.db2.gz TUUQODNVDSVCLI-ZVDOUQERSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186604625 1387983717 /nfs/dbraw/zinc/98/37/17/1387983717.db2.gz GBICNJKNNFXPJK-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605545 1387984061 /nfs/dbraw/zinc/98/40/61/1387984061.db2.gz PGKSYMZVPSIGPU-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044375 1369470522 /nfs/dbraw/zinc/47/05/22/1369470522.db2.gz UXIVBYIVSRSYOT-HKUYNNGSSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641636 1370198045 /nfs/dbraw/zinc/19/80/45/1370198045.db2.gz SPNIKJNCUKZJJW-MOPGFXCFSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203911138 1370311640 /nfs/dbraw/zinc/31/16/40/1370311640.db2.gz UGTCUFLHQZXKAU-PXNSSMCTSA-N 2 1 343.515 3.225 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573954 1370576792 /nfs/dbraw/zinc/57/67/92/1370576792.db2.gz ZHVWFOHPWVXCHS-IBGZPJMESA-N 2 1 347.547 3.378 20 30 EGEDMP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCCC1 ZINC001115608424 1370607049 /nfs/dbraw/zinc/60/70/49/1370607049.db2.gz MICIJHAIDIIXMV-UHFFFAOYSA-N 2 1 347.547 3.071 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483724 1370769536 /nfs/dbraw/zinc/76/95/36/1370769536.db2.gz OTHDZMRIRLZMAC-HKUYNNGSSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001205524713 1370780650 /nfs/dbraw/zinc/78/06/50/1370780650.db2.gz WADDEUHZWQUKFR-IBGZPJMESA-N 2 1 337.552 3.269 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001205524714 1370780682 /nfs/dbraw/zinc/78/06/82/1370780682.db2.gz WADDEUHZWQUKFR-LJQANCHMSA-N 2 1 337.552 3.269 20 30 EGEDMP N#Cc1ccc(Oc2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cn2)cc1 ZINC001206622486 1371111679 /nfs/dbraw/zinc/11/16/79/1371111679.db2.gz CWYHNHYPIGPFBV-KRWDZBQOSA-N 2 1 336.439 3.306 20 30 EGEDMP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)cn2)cc1 ZINC001206622486 1371111680 /nfs/dbraw/zinc/11/16/80/1371111680.db2.gz CWYHNHYPIGPFBV-KRWDZBQOSA-N 2 1 336.439 3.306 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952366 1371242612 /nfs/dbraw/zinc/24/26/12/1371242612.db2.gz LWNPJJNLJQHGCD-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953468 1371243911 /nfs/dbraw/zinc/24/39/11/1371243911.db2.gz MJSYKIBCCNAFLC-FQEVSTJZSA-N 2 1 343.515 3.084 20 30 EGEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)CC1 ZINC001208179426 1371621535 /nfs/dbraw/zinc/62/15/35/1371621535.db2.gz YZITXBGGVFCTFB-OAQYLSRUSA-N 2 1 331.548 3.248 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208330715 1371720472 /nfs/dbraw/zinc/72/04/72/1371720472.db2.gz CZLXIMOLSUHFOP-UXHICEINSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208409548 1371757387 /nfs/dbraw/zinc/75/73/87/1371757387.db2.gz GWPPFDRPHRIPFV-YDZRNGNQSA-N 2 1 337.552 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208409548 1371757392 /nfs/dbraw/zinc/75/73/92/1371757392.db2.gz GWPPFDRPHRIPFV-YDZRNGNQSA-N 2 1 337.552 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208409548 1371757395 /nfs/dbraw/zinc/75/73/95/1371757395.db2.gz GWPPFDRPHRIPFV-YDZRNGNQSA-N 2 1 337.552 3.124 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103540 1371854997 /nfs/dbraw/zinc/85/49/97/1371854997.db2.gz XQFJOEHDMXKQSD-RBUNFDSBSA-N 2 1 347.547 3.231 20 30 EGEDMP C#CCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001209267428 1372054993 /nfs/dbraw/zinc/05/49/93/1372054993.db2.gz PVFYAPRXUNLQPP-HXUWFJFHSA-N 2 1 326.484 3.155 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094793 1372484705 /nfs/dbraw/zinc/48/47/05/1372484705.db2.gz RHQGDCTUXYJWQA-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001224187507 1375060871 /nfs/dbraw/zinc/06/08/71/1375060871.db2.gz RGUSYAHBBVNSER-QUCCMNQESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791283 1375475156 /nfs/dbraw/zinc/47/51/56/1375475156.db2.gz BKSKZSDQXCNLRT-XLIONFOSSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147925 1375808298 /nfs/dbraw/zinc/80/82/98/1375808298.db2.gz YMOQVZXXUUISSQ-ZWKOTPCHSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133186662 1375831650 /nfs/dbraw/zinc/83/16/50/1375831650.db2.gz YNCDJLCDIZNWGI-MOPGFXCFSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001229544381 1375853102 /nfs/dbraw/zinc/85/31/02/1375853102.db2.gz GRWRBVGCTXMNDY-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001229652272 1375871202 /nfs/dbraw/zinc/87/12/02/1375871202.db2.gz KHIBMTPGNDWAGY-VAMGGRTRSA-N 2 1 343.515 3.273 20 30 EGEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001230017002 1375931637 /nfs/dbraw/zinc/93/16/37/1375931637.db2.gz SCZFJBMALJCPCT-HXUWFJFHSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598403 1376093155 /nfs/dbraw/zinc/09/31/55/1376093155.db2.gz NOFHZHOAVQVHIP-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077087 1376881338 /nfs/dbraw/zinc/88/13/38/1376881338.db2.gz LDFLOYLCWCBJEH-CVEARBPZSA-N 2 1 343.943 3.266 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135626986 1377167965 /nfs/dbraw/zinc/16/79/65/1377167965.db2.gz WCZWZNQUGXDVAX-HUUCEWRRSA-N 2 1 340.899 3.022 20 30 EGEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138557737 1377741870 /nfs/dbraw/zinc/74/18/70/1377741870.db2.gz PWQMSMAGKQBQGF-SZPZYZBQSA-N 2 1 346.474 3.262 20 30 EGEDMP C#CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138557737 1377741871 /nfs/dbraw/zinc/74/18/71/1377741871.db2.gz PWQMSMAGKQBQGF-SZPZYZBQSA-N 2 1 346.474 3.262 20 30 EGEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138557737 1377741872 /nfs/dbraw/zinc/74/18/72/1377741872.db2.gz PWQMSMAGKQBQGF-SZPZYZBQSA-N 2 1 346.474 3.262 20 30 EGEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138557737 1377741873 /nfs/dbraw/zinc/74/18/73/1377741873.db2.gz PWQMSMAGKQBQGF-SZPZYZBQSA-N 2 1 346.474 3.262 20 30 EGEDMP C#CCOc1ccc(C[NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)cc1 ZINC001138559975 1377742268 /nfs/dbraw/zinc/74/22/68/1377742268.db2.gz XVWJENFWJRPXAR-UHFFFAOYSA-N 2 1 335.451 3.141 20 30 EGEDMP C=CCOc1ccccc1C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001139029505 1377819722 /nfs/dbraw/zinc/81/97/22/1377819722.db2.gz AZNGROKIZDWSTB-UHFFFAOYSA-N 2 1 345.531 3.101 20 30 EGEDMP C[NH+]1CCC2(CC[N@H+](Cc3cc(Br)ccc3C#N)C2)CC1 ZINC001141905244 1378392097 /nfs/dbraw/zinc/39/20/97/1378392097.db2.gz XCFBPIIVSXMJAS-UHFFFAOYSA-N 2 1 348.288 3.238 20 30 EGEDMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(Br)ccc3C#N)C2)CC1 ZINC001141905244 1378392099 /nfs/dbraw/zinc/39/20/99/1378392099.db2.gz XCFBPIIVSXMJAS-UHFFFAOYSA-N 2 1 348.288 3.238 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001154116556 1380211803 /nfs/dbraw/zinc/21/18/03/1380211803.db2.gz QCXLUXUJDJDLKC-OAHLLOKOSA-N 2 1 328.460 3.049 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155630648 1380476051 /nfs/dbraw/zinc/47/60/51/1380476051.db2.gz CZUMRCYWMWOKRH-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157701374 1381008442 /nfs/dbraw/zinc/00/84/42/1381008442.db2.gz CECHTPQVQXAARR-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157701374 1381008435 /nfs/dbraw/zinc/00/84/35/1381008435.db2.gz CECHTPQVQXAARR-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157701374 1381008440 /nfs/dbraw/zinc/00/84/40/1381008440.db2.gz CECHTPQVQXAARR-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(Cl)CN(C)C[C@H]1CCCCN1C(=O)c1ccc2cncn2c1 ZINC001158227189 1381166029 /nfs/dbraw/zinc/16/60/29/1381166029.db2.gz DQFMIGFDGJEWKB-QGZVFWFLSA-N 2 1 346.862 3.013 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158540411 1381289084 /nfs/dbraw/zinc/28/90/84/1381289084.db2.gz JKQPCSSANZTPHC-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158540411 1381289095 /nfs/dbraw/zinc/28/90/95/1381289095.db2.gz JKQPCSSANZTPHC-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001158549838 1381293644 /nfs/dbraw/zinc/29/36/44/1381293644.db2.gz LZPKIFLYQKUGBR-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001159908275 1381934537 /nfs/dbraw/zinc/93/45/37/1381934537.db2.gz HWFPBDPTCGKXQQ-SFHVURJKSA-N 2 1 325.541 3.316 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159914476 1381935579 /nfs/dbraw/zinc/93/55/79/1381935579.db2.gz BVOANFPLCCLPOZ-LJQANCHMSA-N 2 1 337.552 3.460 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400456 1382094905 /nfs/dbraw/zinc/09/49/05/1382094905.db2.gz RLALXRRWLFJIDU-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400456 1382094909 /nfs/dbraw/zinc/09/49/09/1382094909.db2.gz RLALXRRWLFJIDU-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001160400456 1382094912 /nfs/dbraw/zinc/09/49/12/1382094912.db2.gz RLALXRRWLFJIDU-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160466805 1382113863 /nfs/dbraw/zinc/11/38/63/1382113863.db2.gz JKCVQELURIPUHR-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160466805 1382113864 /nfs/dbraw/zinc/11/38/64/1382113864.db2.gz JKCVQELURIPUHR-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160466805 1382113869 /nfs/dbraw/zinc/11/38/69/1382113869.db2.gz JKCVQELURIPUHR-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592843 1382149497 /nfs/dbraw/zinc/14/94/97/1382149497.db2.gz FSGYNBYUVUUREB-SFHVURJKSA-N 2 1 345.531 3.108 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207004 1382341257 /nfs/dbraw/zinc/34/12/57/1382341257.db2.gz OONQUWUWRUXXOV-QUCCMNQESA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207004 1382341260 /nfs/dbraw/zinc/34/12/60/1382341260.db2.gz OONQUWUWRUXXOV-QUCCMNQESA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207004 1382341267 /nfs/dbraw/zinc/34/12/67/1382341267.db2.gz OONQUWUWRUXXOV-QUCCMNQESA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001161643817 1382468151 /nfs/dbraw/zinc/46/81/51/1382468151.db2.gz BSZGZKLJCGIDGY-SFHVURJKSA-N 2 1 325.541 3.173 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001163275042 1383010672 /nfs/dbraw/zinc/01/06/72/1383010672.db2.gz NYXZVIHGDXLGFZ-UHFFFAOYSA-N 2 1 337.552 3.483 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377624 1383615650 /nfs/dbraw/zinc/61/56/50/1383615650.db2.gz UGEMAPUCEDAWPB-UHFFFAOYSA-N 2 1 346.519 3.239 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385800 1383619125 /nfs/dbraw/zinc/61/91/25/1383619125.db2.gz UFEJOUUAUHONLT-GOSISDBHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694738 1383713451 /nfs/dbraw/zinc/71/34/51/1383713451.db2.gz RRFRIMKNTIBRFY-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001167812017 1383746284 /nfs/dbraw/zinc/74/62/84/1383746284.db2.gz FVPGCEKBUIZYQV-UHFFFAOYSA-N 2 1 337.552 3.341 20 30 EGEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167827034 1383751108 /nfs/dbraw/zinc/75/11/08/1383751108.db2.gz ROYTZXINOUYMDY-UFYCRDLUSA-N 2 1 338.536 3.323 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144606 1384113945 /nfs/dbraw/zinc/11/39/45/1384113945.db2.gz KKKWEZOKJAJREN-XFKSJGNHSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144606 1384113949 /nfs/dbraw/zinc/11/39/49/1384113949.db2.gz KKKWEZOKJAJREN-XFKSJGNHSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144606 1384113954 /nfs/dbraw/zinc/11/39/54/1384113954.db2.gz KKKWEZOKJAJREN-XFKSJGNHSA-N 2 1 325.456 3.027 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171238688 1384477124 /nfs/dbraw/zinc/47/71/24/1384477124.db2.gz YHPCFTVZVNGDFE-MOPGFXCFSA-N 2 1 337.552 3.195 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171247968 1384477544 /nfs/dbraw/zinc/47/75/44/1384477544.db2.gz PJZIKZWMZHMHTF-MOPGFXCFSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171647191 1384591715 /nfs/dbraw/zinc/59/17/15/1384591715.db2.gz TVSNJHCPHOXQTK-RTBURBONSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175256783 1385230494 /nfs/dbraw/zinc/23/04/94/1385230494.db2.gz OSDNVXGOWMJAJO-MOPGFXCFSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271400 1385236024 /nfs/dbraw/zinc/23/60/24/1385236024.db2.gz BBENBLFOUOSBAW-ROUUACIJSA-N 2 1 337.552 3.338 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175296453 1385242384 /nfs/dbraw/zinc/24/23/84/1385242384.db2.gz PBACALOCFOLPIL-IBGZPJMESA-N 2 1 345.531 3.002 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177266876 1385889976 /nfs/dbraw/zinc/88/99/76/1385889976.db2.gz LWBKTMPBGQMCPH-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001177416272 1385949794 /nfs/dbraw/zinc/94/97/94/1385949794.db2.gz YKYCQNUQMFDBRW-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177455519 1385962365 /nfs/dbraw/zinc/96/23/65/1385962365.db2.gz AOULDMHHLOHDAV-UHFFFAOYSA-N 2 1 343.943 3.079 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178811392 1386313970 /nfs/dbraw/zinc/31/39/70/1386313970.db2.gz UIHJQLJKQKLQAO-OALUTQOASA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179383307 1386468921 /nfs/dbraw/zinc/46/89/21/1386468921.db2.gz SMYPCMAHORKEIV-QYZOEREBSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629306 1387199069 /nfs/dbraw/zinc/19/90/69/1387199069.db2.gz CATYOFHLKJZHFG-QKNQBKEWSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001331040038 1389606620 /nfs/dbraw/zinc/60/66/20/1389606620.db2.gz UYMZYNABBGVQNU-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001331040038 1389606621 /nfs/dbraw/zinc/60/66/21/1389606621.db2.gz UYMZYNABBGVQNU-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001331040038 1389606625 /nfs/dbraw/zinc/60/66/25/1389606625.db2.gz UYMZYNABBGVQNU-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001752525282 1440192522 /nfs/dbraw/zinc/19/25/22/1440192522.db2.gz KPFIUQPOIJMRSE-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001752524340 1440192553 /nfs/dbraw/zinc/19/25/53/1440192553.db2.gz DXOFJXUARCRSTR-PMACEKPBSA-N 2 1 349.563 3.243 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001752708142 1440203077 /nfs/dbraw/zinc/20/30/77/1440203077.db2.gz RLJSTHWEOCLSNK-UXHICEINSA-N 2 1 349.563 3.366 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001752828455 1440224680 /nfs/dbraw/zinc/22/46/80/1440224680.db2.gz XZUHZFDESVEOIT-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001753293631 1440351124 /nfs/dbraw/zinc/35/11/24/1440351124.db2.gz OIHMPUAFCXUHJC-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001753293631 1440351125 /nfs/dbraw/zinc/35/11/25/1440351125.db2.gz OIHMPUAFCXUHJC-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001753293631 1440351126 /nfs/dbraw/zinc/35/11/26/1440351126.db2.gz OIHMPUAFCXUHJC-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001753440496 1440401407 /nfs/dbraw/zinc/40/14/07/1440401407.db2.gz YFHNZCMWSUHQFD-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001753440496 1440401408 /nfs/dbraw/zinc/40/14/08/1440401408.db2.gz YFHNZCMWSUHQFD-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001753440496 1440401409 /nfs/dbraw/zinc/40/14/09/1440401409.db2.gz YFHNZCMWSUHQFD-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001753821023 1440495993 /nfs/dbraw/zinc/49/59/93/1440495993.db2.gz MYUKMULACMOMCE-ICSRJNTNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001753821023 1440495994 /nfs/dbraw/zinc/49/59/94/1440495994.db2.gz MYUKMULACMOMCE-ICSRJNTNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001753821023 1440495995 /nfs/dbraw/zinc/49/59/95/1440495995.db2.gz MYUKMULACMOMCE-ICSRJNTNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754582153 1440638901 /nfs/dbraw/zinc/63/89/01/1440638901.db2.gz NGRRMWIRRHTLMI-FXAWDEMLSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001754735514 1440681931 /nfs/dbraw/zinc/68/19/31/1440681931.db2.gz DPQMBEOAGFKKJQ-FQEVSTJZSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001754782586 1440686659 /nfs/dbraw/zinc/68/66/59/1440686659.db2.gz DQZKEJSIXWZSCM-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001754873734 1440706013 /nfs/dbraw/zinc/70/60/13/1440706013.db2.gz UVWLNEHKBMCGFI-SLFFLAALSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001754873734 1440706014 /nfs/dbraw/zinc/70/60/14/1440706014.db2.gz UVWLNEHKBMCGFI-SLFFLAALSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001754873734 1440706015 /nfs/dbraw/zinc/70/60/15/1440706015.db2.gz UVWLNEHKBMCGFI-SLFFLAALSA-N 2 1 349.563 3.364 20 30 EGEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001754948955 1440714457 /nfs/dbraw/zinc/71/44/57/1440714457.db2.gz SNAPYVASGIWKEB-YLJYHZDGSA-N 2 1 343.515 3.402 20 30 EGEDMP C=CCC[NH2+]C1(CC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001755069562 1440746027 /nfs/dbraw/zinc/74/60/27/1440746027.db2.gz YVVJZDVTJLBLRX-QGZVFWFLSA-N 2 1 346.519 3.334 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001755205046 1440782007 /nfs/dbraw/zinc/78/20/07/1440782007.db2.gz PKBRYEPXYNGBHM-WOJBJXKFSA-N 2 1 349.563 3.245 20 30 EGEDMP C[NH+]1CCC2(CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)CC1 ZINC000366862625 168149631 /nfs/dbraw/zinc/14/96/31/168149631.db2.gz CFNVHSHUXKMHOH-UHFFFAOYSA-N 2 1 327.472 3.135 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000414532349 267147838 /nfs/dbraw/zinc/14/78/38/267147838.db2.gz UUHVPQSBLVUBEW-FGZHOGPDSA-N 2 1 349.478 3.185 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000414532349 267147842 /nfs/dbraw/zinc/14/78/42/267147842.db2.gz UUHVPQSBLVUBEW-FGZHOGPDSA-N 2 1 349.478 3.185 20 30 EGEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868674 274347672 /nfs/dbraw/zinc/34/76/72/274347672.db2.gz AFMKSWHIABQMRX-UTKZUKDTSA-N 2 1 341.499 3.416 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246088178 455424482 /nfs/dbraw/zinc/42/44/82/455424482.db2.gz IKTPXFJECHYCMI-PLMTUMEDSA-N 2 1 339.483 3.426 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246088178 455424487 /nfs/dbraw/zinc/42/44/87/455424487.db2.gz IKTPXFJECHYCMI-PLMTUMEDSA-N 2 1 339.483 3.426 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(OC)c2)CC1 ZINC000153015746 454752450 /nfs/dbraw/zinc/75/24/50/454752450.db2.gz RGLKAFFOWDREAF-INIZCTEOSA-N 2 1 345.487 3.042 20 30 EGEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000174452823 455392871 /nfs/dbraw/zinc/39/28/71/455392871.db2.gz PLLCYOHSHYQPBI-UHFFFAOYSA-N 2 1 325.460 3.111 20 30 EGEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000267422354 455550920 /nfs/dbraw/zinc/55/09/20/455550920.db2.gz KXKIHMYTFNDGPS-UHFFFAOYSA-N 2 1 328.460 3.114 20 30 EGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000267422354 455550922 /nfs/dbraw/zinc/55/09/22/455550922.db2.gz KXKIHMYTFNDGPS-UHFFFAOYSA-N 2 1 328.460 3.114 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248580271 455721154 /nfs/dbraw/zinc/72/11/54/455721154.db2.gz OLTKIPFZMCBMMH-SQNIBIBYSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248580271 455721157 /nfs/dbraw/zinc/72/11/57/455721157.db2.gz OLTKIPFZMCBMMH-SQNIBIBYSA-N 2 1 335.536 3.042 20 30 EGEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270564895 455985113 /nfs/dbraw/zinc/98/51/13/455985113.db2.gz LCSUJZJYFAHQFE-RBOXIYTFSA-N 2 1 340.874 3.175 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)ccc1OC ZINC000290622424 456385942 /nfs/dbraw/zinc/38/59/42/456385942.db2.gz XKECZFFDQZOPFF-WMZOPIPTSA-N 2 1 332.488 3.422 20 30 EGEDMP C=C(C)COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290622424 456385945 /nfs/dbraw/zinc/38/59/45/456385945.db2.gz XKECZFFDQZOPFF-WMZOPIPTSA-N 2 1 332.488 3.422 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290622424 456385951 /nfs/dbraw/zinc/38/59/51/456385951.db2.gz XKECZFFDQZOPFF-WMZOPIPTSA-N 2 1 332.488 3.422 20 30 EGEDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCc3ccc(C#N)cc32)C[C@H](C)O1 ZINC000353248506 456585601 /nfs/dbraw/zinc/58/56/01/456585601.db2.gz AXWTYVAVZUYUTJ-YRNRMSPPSA-N 2 1 327.472 3.025 20 30 EGEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000277214255 456727800 /nfs/dbraw/zinc/72/78/00/456727800.db2.gz FPDWZRRCEJNPOL-INIZCTEOSA-N 2 1 332.492 3.038 20 30 EGEDMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCCCC#N ZINC000277351953 456790500 /nfs/dbraw/zinc/79/05/00/456790500.db2.gz DVVNRSYYUFCOFQ-GOSISDBHSA-N 2 1 345.487 3.294 20 30 EGEDMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OCCCC#N ZINC000277351953 456790504 /nfs/dbraw/zinc/79/05/04/456790504.db2.gz DVVNRSYYUFCOFQ-GOSISDBHSA-N 2 1 345.487 3.294 20 30 EGEDMP C=CCCC[C@@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341139486 456818690 /nfs/dbraw/zinc/81/86/90/456818690.db2.gz RNSUJESBUUKIOT-QRVBRYPASA-N 2 1 338.536 3.321 20 30 EGEDMP C=CCCC[C@@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341139486 456818698 /nfs/dbraw/zinc/81/86/98/456818698.db2.gz RNSUJESBUUKIOT-QRVBRYPASA-N 2 1 338.536 3.321 20 30 EGEDMP Cc1ncc2n1CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C2 ZINC000329768795 456938244 /nfs/dbraw/zinc/93/82/44/456938244.db2.gz DYUDUNTXFIKDMT-HOCLYGCPSA-N 2 1 332.492 3.221 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C2 ZINC000329768795 456938248 /nfs/dbraw/zinc/93/82/48/456938248.db2.gz DYUDUNTXFIKDMT-HOCLYGCPSA-N 2 1 332.492 3.221 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C2 ZINC000329768795 456938251 /nfs/dbraw/zinc/93/82/51/456938251.db2.gz DYUDUNTXFIKDMT-HOCLYGCPSA-N 2 1 332.492 3.221 20 30 EGEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000424298157 458608311 /nfs/dbraw/zinc/60/83/11/458608311.db2.gz SBLGHMRKVZCZHX-LUYSREMJSA-N 2 1 326.484 3.078 20 30 EGEDMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000515108334 458805629 /nfs/dbraw/zinc/80/56/29/458805629.db2.gz XIDVOKHAXYCRMJ-PZJWPPBQSA-N 2 1 341.499 3.008 20 30 EGEDMP C=CC[N@H+](CCOC)CC1(c2ccccc2)CC[NH+](CC=C)CC1 ZINC000442883064 459052066 /nfs/dbraw/zinc/05/20/66/459052066.db2.gz GJWMJHRRXDKZEA-UHFFFAOYSA-N 2 1 328.500 3.341 20 30 EGEDMP C=CCC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000533498488 459243846 /nfs/dbraw/zinc/24/38/46/459243846.db2.gz NRXIGWPFCMHXNB-MSOLQXFVSA-N 2 1 333.545 3.371 20 30 EGEDMP C=CCCCCCN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572614797 459581663 /nfs/dbraw/zinc/58/16/63/459581663.db2.gz JCVNADKPTIXJIV-UHFFFAOYSA-N 2 1 349.563 3.388 20 30 EGEDMP CC1(C#N)CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000563935059 459769335 /nfs/dbraw/zinc/76/93/35/459769335.db2.gz VWNZVGGAZWINLM-NYLDSWQDSA-N 2 1 341.499 3.205 20 30 EGEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663346616 461576490 /nfs/dbraw/zinc/57/64/90/461576490.db2.gz BBFOCPSIEZHSEW-IBGZPJMESA-N 2 1 344.499 3.472 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1cccc(C#N)c1 ZINC000191508557 528863711 /nfs/dbraw/zinc/86/37/11/528863711.db2.gz GPYTVYIGFYMSMK-UHFFFAOYSA-N 2 1 326.444 3.108 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000191508557 528863716 /nfs/dbraw/zinc/86/37/16/528863716.db2.gz GPYTVYIGFYMSMK-UHFFFAOYSA-N 2 1 326.444 3.108 20 30 EGEDMP C=CC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090185318 546653537 /nfs/dbraw/zinc/65/35/37/546653537.db2.gz MONQOTYIVSMBNO-HXUWFJFHSA-N 2 1 327.516 3.280 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)c1O ZINC000164425002 1294347559 /nfs/dbraw/zinc/34/75/59/1294347559.db2.gz SKEBVBYWTUIZKL-INIZCTEOSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)c1O ZINC000164425002 1294347565 /nfs/dbraw/zinc/34/75/65/1294347565.db2.gz SKEBVBYWTUIZKL-INIZCTEOSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(O)c(OC)c1 ZINC000164518419 1294349112 /nfs/dbraw/zinc/34/91/12/1294349112.db2.gz LSJQHBFGMQKFHZ-AEFFLSMTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(O)c(OC)c1 ZINC000164518419 1294349118 /nfs/dbraw/zinc/34/91/18/1294349118.db2.gz LSJQHBFGMQKFHZ-AEFFLSMTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(O)c(OC)c1 ZINC000164518419 1294349126 /nfs/dbraw/zinc/34/91/26/1294349126.db2.gz LSJQHBFGMQKFHZ-AEFFLSMTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000164539124 1294350392 /nfs/dbraw/zinc/35/03/92/1294350392.db2.gz JWCUBHAKGZQMOZ-UHFFFAOYSA-N 2 1 329.444 3.156 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1O ZINC000164539124 1294350398 /nfs/dbraw/zinc/35/03/98/1294350398.db2.gz JWCUBHAKGZQMOZ-UHFFFAOYSA-N 2 1 329.444 3.156 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237514505 1296247726 /nfs/dbraw/zinc/24/77/26/1296247726.db2.gz FHTPBKLWROLNAW-FGTMMUONSA-N 2 1 329.488 3.435 20 30 EGEDMP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@@H](C)N1)c1ccc(C(F)(F)F)cc1 ZINC000262479769 1296634529 /nfs/dbraw/zinc/63/45/29/1296634529.db2.gz CUBMKYFOARSPNX-DOMZBBRYSA-N 2 1 342.409 3.026 20 30 EGEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303723931 1296847137 /nfs/dbraw/zinc/84/71/37/1296847137.db2.gz ZJMVVDGEZDUPPJ-WCQYABFASA-N 2 1 343.302 3.443 20 30 EGEDMP CCc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000303791217 1296857530 /nfs/dbraw/zinc/85/75/30/1296857530.db2.gz XFKAXUHEHBTTFZ-QGZVFWFLSA-N 2 1 326.444 3.406 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000303885200 1296869627 /nfs/dbraw/zinc/86/96/27/1296869627.db2.gz JNQVKIYBZBKITO-HOTGVXAUSA-N 2 1 332.492 3.321 20 30 EGEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000303901098 1296875983 /nfs/dbraw/zinc/87/59/83/1296875983.db2.gz XDJLCQWHJMLOSA-OAHLLOKOSA-N 2 1 328.504 3.412 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000392777191 1297660686 /nfs/dbraw/zinc/66/06/86/1297660686.db2.gz WUPKICLGGZWSTP-CYBMUJFWSA-N 2 1 339.277 3.063 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000392777191 1297660691 /nfs/dbraw/zinc/66/06/91/1297660691.db2.gz WUPKICLGGZWSTP-CYBMUJFWSA-N 2 1 339.277 3.063 20 30 EGEDMP N#CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749516431 1299228125 /nfs/dbraw/zinc/22/81/25/1299228125.db2.gz VSAITLJODLWPAV-XLIONFOSSA-N 2 1 325.456 3.038 20 30 EGEDMP N#CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749516431 1299228135 /nfs/dbraw/zinc/22/81/35/1299228135.db2.gz VSAITLJODLWPAV-XLIONFOSSA-N 2 1 325.456 3.038 20 30 EGEDMP N#CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749516431 1299228144 /nfs/dbraw/zinc/22/81/44/1299228144.db2.gz VSAITLJODLWPAV-XLIONFOSSA-N 2 1 325.456 3.038 20 30 EGEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1OC ZINC000772954819 1303598622 /nfs/dbraw/zinc/59/86/22/1303598622.db2.gz PIYJRTINJWFYSB-MSOLQXFVSA-N 2 1 330.472 3.149 20 30 EGEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1OC ZINC000772954819 1303598627 /nfs/dbraw/zinc/59/86/27/1303598627.db2.gz PIYJRTINJWFYSB-MSOLQXFVSA-N 2 1 330.472 3.149 20 30 EGEDMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cccc(C#N)c1 ZINC000902795866 1317617359 /nfs/dbraw/zinc/61/73/59/1317617359.db2.gz KKOVDDUITGLGHM-LJQANCHMSA-N 2 1 327.472 3.244 20 30 EGEDMP CCC[N@H+]1CC[C@@H](C[NH+]=C(NCCc2ccccc2)NC(C)(C)C)C1 ZINC000912507128 1318894248 /nfs/dbraw/zinc/89/42/48/1318894248.db2.gz VOIDSKUETDYSMW-IBGZPJMESA-N 2 1 344.547 3.295 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000815652099 1319037548 /nfs/dbraw/zinc/03/75/48/1319037548.db2.gz PBZCUBSXPSNDHF-CQSZACIVSA-N 2 1 328.378 3.233 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000815652099 1319037556 /nfs/dbraw/zinc/03/75/56/1319037556.db2.gz PBZCUBSXPSNDHF-CQSZACIVSA-N 2 1 328.378 3.233 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552782 1319662597 /nfs/dbraw/zinc/66/25/97/1319662597.db2.gz NOACIJWQUOWLLG-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552782 1319662608 /nfs/dbraw/zinc/66/26/08/1319662608.db2.gz NOACIJWQUOWLLG-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552782 1319662619 /nfs/dbraw/zinc/66/26/19/1319662619.db2.gz NOACIJWQUOWLLG-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024819387 1323723855 /nfs/dbraw/zinc/72/38/55/1323723855.db2.gz OFQFZPANILUGPC-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294360 1324124681 /nfs/dbraw/zinc/12/46/81/1324124681.db2.gz IYZGJMAWJUQCAU-RTBURBONSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294360 1324124685 /nfs/dbraw/zinc/12/46/85/1324124685.db2.gz IYZGJMAWJUQCAU-RTBURBONSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001025431686 1324268185 /nfs/dbraw/zinc/26/81/85/1324268185.db2.gz BOORYVLPLHXERK-JKSUJKDBSA-N 2 1 349.544 3.216 20 30 EGEDMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OCC#N)cc1 ZINC000853240672 1325070502 /nfs/dbraw/zinc/07/05/02/1325070502.db2.gz QMVROXWHDSWKRO-WMZOPIPTSA-N 2 1 327.472 3.362 20 30 EGEDMP C=CCC[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926545031 1327609584 /nfs/dbraw/zinc/60/95/84/1327609584.db2.gz GOLLRCQWSIRDAZ-WVVQBRDUSA-N 2 1 328.500 3.489 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942203684 1331877675 /nfs/dbraw/zinc/87/76/75/1331877675.db2.gz KAZARWSRTDZEKL-KXBFYZLASA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801392 1333265505 /nfs/dbraw/zinc/26/55/05/1333265505.db2.gz MVYXXIMNDQVGQA-CRAIPNDOSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801392 1333265508 /nfs/dbraw/zinc/26/55/08/1333265508.db2.gz MVYXXIMNDQVGQA-CRAIPNDOSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968882499 1336078856 /nfs/dbraw/zinc/07/88/56/1336078856.db2.gz PBYJVZMLDWJPPA-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882499 1336078858 /nfs/dbraw/zinc/07/88/58/1336078858.db2.gz PBYJVZMLDWJPPA-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968882499 1336078859 /nfs/dbraw/zinc/07/88/59/1336078859.db2.gz PBYJVZMLDWJPPA-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928537 1336093030 /nfs/dbraw/zinc/09/30/30/1336093030.db2.gz NJOGICKECYFMOH-UXHICEINSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928537 1336093031 /nfs/dbraw/zinc/09/30/31/1336093031.db2.gz NJOGICKECYFMOH-UXHICEINSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928537 1336093032 /nfs/dbraw/zinc/09/30/32/1336093032.db2.gz NJOGICKECYFMOH-UXHICEINSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001018064672 1339493538 /nfs/dbraw/zinc/49/35/38/1339493538.db2.gz ILHLZKOYAQCNEE-BGYRXZFFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755034 1340791891 /nfs/dbraw/zinc/79/18/91/1340791891.db2.gz FEFPZCIXHDZKIC-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755034 1340791893 /nfs/dbraw/zinc/79/18/93/1340791893.db2.gz FEFPZCIXHDZKIC-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755034 1340791898 /nfs/dbraw/zinc/79/18/98/1340791898.db2.gz FEFPZCIXHDZKIC-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034366584 1342436249 /nfs/dbraw/zinc/43/62/49/1342436249.db2.gz BQLZPWDDEVFRDK-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034366584 1342436253 /nfs/dbraw/zinc/43/62/53/1342436253.db2.gz BQLZPWDDEVFRDK-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034366584 1342436257 /nfs/dbraw/zinc/43/62/57/1342436257.db2.gz BQLZPWDDEVFRDK-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214152 1344930074 /nfs/dbraw/zinc/93/00/74/1344930074.db2.gz NSDSZBFKWNXXLA-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214152 1344930077 /nfs/dbraw/zinc/93/00/77/1344930077.db2.gz NSDSZBFKWNXXLA-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214152 1344930081 /nfs/dbraw/zinc/93/00/81/1344930081.db2.gz NSDSZBFKWNXXLA-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039242076 1344968018 /nfs/dbraw/zinc/96/80/18/1344968018.db2.gz NIDSAAMYNBKNAK-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039299299 1345002547 /nfs/dbraw/zinc/00/25/47/1345002547.db2.gz ZTLPFSSCQXZVOJ-XUBOLADHSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040732733 1345572344 /nfs/dbraw/zinc/57/23/44/1345572344.db2.gz LONJFMLIZWNAJZ-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357955 1345709820 /nfs/dbraw/zinc/70/98/20/1345709820.db2.gz JMJUVFPBQCJWOS-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357955 1345709824 /nfs/dbraw/zinc/70/98/24/1345709824.db2.gz JMJUVFPBQCJWOS-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357955 1345709827 /nfs/dbraw/zinc/70/98/27/1345709827.db2.gz JMJUVFPBQCJWOS-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045944085 1346780039 /nfs/dbraw/zinc/78/00/39/1346780039.db2.gz WXDYCDYQSGWSIP-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045944085 1346780041 /nfs/dbraw/zinc/78/00/41/1346780041.db2.gz WXDYCDYQSGWSIP-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045944085 1346780042 /nfs/dbraw/zinc/78/00/42/1346780042.db2.gz WXDYCDYQSGWSIP-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045966432 1346800904 /nfs/dbraw/zinc/80/09/04/1346800904.db2.gz WMTQQDXUGHZJKI-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966432 1346800906 /nfs/dbraw/zinc/80/09/06/1346800906.db2.gz WMTQQDXUGHZJKI-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045966432 1346800908 /nfs/dbraw/zinc/80/09/08/1346800908.db2.gz WMTQQDXUGHZJKI-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045972761 1346808501 /nfs/dbraw/zinc/80/85/01/1346808501.db2.gz ICAYNUSVEAUDIM-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972761 1346808504 /nfs/dbraw/zinc/80/85/04/1346808504.db2.gz ICAYNUSVEAUDIM-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972761 1346808506 /nfs/dbraw/zinc/80/85/06/1346808506.db2.gz ICAYNUSVEAUDIM-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048540011 1347584297 /nfs/dbraw/zinc/58/42/97/1347584297.db2.gz WFDPHVUTYBGKFF-IYWMVGAKSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048540011 1347584299 /nfs/dbraw/zinc/58/42/99/1347584299.db2.gz WFDPHVUTYBGKFF-IYWMVGAKSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001048540011 1347584300 /nfs/dbraw/zinc/58/43/00/1347584300.db2.gz WFDPHVUTYBGKFF-IYWMVGAKSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513742 1348563708 /nfs/dbraw/zinc/56/37/08/1348563708.db2.gz IZURPNLPFNAQIW-KRWDZBQOSA-N 2 1 340.471 3.193 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052858665 1348705012 /nfs/dbraw/zinc/70/50/12/1348705012.db2.gz FKLIUIQBFOZNSG-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858665 1348705014 /nfs/dbraw/zinc/70/50/14/1348705014.db2.gz FKLIUIQBFOZNSG-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052858665 1348705016 /nfs/dbraw/zinc/70/50/16/1348705016.db2.gz FKLIUIQBFOZNSG-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001183129201 1387266551 /nfs/dbraw/zinc/26/65/51/1387266551.db2.gz MMUPCSQERQBRHO-SFHLNBCPSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183255793 1387286608 /nfs/dbraw/zinc/28/66/08/1387286608.db2.gz PWRLFIAXOPNNNI-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099344205 1363762680 /nfs/dbraw/zinc/76/26/80/1363762680.db2.gz HSQKRXCZAKZEMD-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938703 1359261092 /nfs/dbraw/zinc/26/10/92/1359261092.db2.gz XUFKRQWYJZQJTQ-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086942353 1359264029 /nfs/dbraw/zinc/26/40/29/1359264029.db2.gz OULLLHVOHYWGJO-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845312 1359678364 /nfs/dbraw/zinc/67/83/64/1359678364.db2.gz STEMISQLTUVAGF-ZWKOTPCHSA-N 2 1 347.503 3.280 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400602 1360400310 /nfs/dbraw/zinc/40/03/10/1360400310.db2.gz JWRGFERJBCWFFY-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400602 1360400313 /nfs/dbraw/zinc/40/03/13/1360400313.db2.gz JWRGFERJBCWFFY-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400602 1360400314 /nfs/dbraw/zinc/40/03/14/1360400314.db2.gz JWRGFERJBCWFFY-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664545 1360575233 /nfs/dbraw/zinc/57/52/33/1360575233.db2.gz MKZNLXVQWYWRPK-QGZVFWFLSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089707620 1360610536 /nfs/dbraw/zinc/61/05/36/1360610536.db2.gz OPLPKKKOBJXRNB-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089707620 1360610537 /nfs/dbraw/zinc/61/05/37/1360610537.db2.gz OPLPKKKOBJXRNB-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089707620 1360610541 /nfs/dbraw/zinc/61/05/41/1360610541.db2.gz OPLPKKKOBJXRNB-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120737 1361533138 /nfs/dbraw/zinc/53/31/38/1361533138.db2.gz LLQAVYUDBWUHOW-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120737 1361533139 /nfs/dbraw/zinc/53/31/39/1361533139.db2.gz LLQAVYUDBWUHOW-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120737 1361533141 /nfs/dbraw/zinc/53/31/41/1361533141.db2.gz LLQAVYUDBWUHOW-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094414222 1361791270 /nfs/dbraw/zinc/79/12/70/1361791270.db2.gz YAUCRGVNJYGFSI-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414222 1361791272 /nfs/dbraw/zinc/79/12/72/1361791272.db2.gz YAUCRGVNJYGFSI-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414222 1361791273 /nfs/dbraw/zinc/79/12/73/1361791273.db2.gz YAUCRGVNJYGFSI-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1)C1CCCC1 ZINC001098822284 1363482639 /nfs/dbraw/zinc/48/26/39/1363482639.db2.gz YHZLJXLGUPULMG-ICSRJNTNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001099103003 1363622943 /nfs/dbraw/zinc/62/29/43/1363622943.db2.gz SZUYLOHZDPFRQC-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001099103003 1363622944 /nfs/dbraw/zinc/62/29/44/1363622944.db2.gz SZUYLOHZDPFRQC-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001099103003 1363622946 /nfs/dbraw/zinc/62/29/46/1363622946.db2.gz SZUYLOHZDPFRQC-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164088 1363664675 /nfs/dbraw/zinc/66/46/75/1363664675.db2.gz APFZONKRLJIQGA-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001099270986 1363725766 /nfs/dbraw/zinc/72/57/66/1363725766.db2.gz RSEBXHPZKGBBPL-QZTJIDSGSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372920 1363778131 /nfs/dbraw/zinc/77/81/31/1363778131.db2.gz QVTQARFGSJRKFG-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185213605 1387653093 /nfs/dbraw/zinc/65/30/93/1387653093.db2.gz DQWLHFUSZIGIBV-MSOLQXFVSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100418829 1364108225 /nfs/dbraw/zinc/10/82/25/1364108225.db2.gz IUDSWJAZQHPUGO-ACBHZAAOSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100601944 1364184478 /nfs/dbraw/zinc/18/44/78/1364184478.db2.gz LNBQVKYGOGWUPE-AFMYVXGZSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001101566686 1364622964 /nfs/dbraw/zinc/62/29/64/1364622964.db2.gz CBRWUWBTZIXRSE-GOSISDBHSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102190089 1364923988 /nfs/dbraw/zinc/92/39/88/1364923988.db2.gz QTWCEAROWDKEPR-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185447331 1387719505 /nfs/dbraw/zinc/71/95/05/1387719505.db2.gz ROLQGXITWYLGGJ-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233252 1365446897 /nfs/dbraw/zinc/44/68/97/1365446897.db2.gz GFBLVIICLGADER-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233252 1365446900 /nfs/dbraw/zinc/44/69/00/1365446900.db2.gz GFBLVIICLGADER-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495657 1365596849 /nfs/dbraw/zinc/59/68/49/1365596849.db2.gz MPNGVJOTHZCMTL-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495657 1365596853 /nfs/dbraw/zinc/59/68/53/1365596853.db2.gz MPNGVJOTHZCMTL-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495657 1365596856 /nfs/dbraw/zinc/59/68/56/1365596856.db2.gz MPNGVJOTHZCMTL-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001103542140 1365623562 /nfs/dbraw/zinc/62/35/62/1365623562.db2.gz HUCWLLMSLRDAIM-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCCCCC)C1 ZINC001103542140 1365623565 /nfs/dbraw/zinc/62/35/65/1365623565.db2.gz HUCWLLMSLRDAIM-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCCCCC)C1 ZINC001103542140 1365623571 /nfs/dbraw/zinc/62/35/71/1365623571.db2.gz HUCWLLMSLRDAIM-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723638 1365749302 /nfs/dbraw/zinc/74/93/02/1365749302.db2.gz VHHNSEZREYABFL-RTBURBONSA-N 2 1 337.552 3.127 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271319 1366640001 /nfs/dbraw/zinc/64/00/01/1366640001.db2.gz ASHSNCBFMMHSGE-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001106336428 1366659714 /nfs/dbraw/zinc/65/97/14/1366659714.db2.gz NAWUQQUHMPSDPU-QZTJIDSGSA-N 2 1 339.568 3.371 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107581497 1367055985 /nfs/dbraw/zinc/05/59/85/1367055985.db2.gz CKYZQVUCDHEIDM-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581497 1367055986 /nfs/dbraw/zinc/05/59/86/1367055986.db2.gz CKYZQVUCDHEIDM-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107581497 1367055991 /nfs/dbraw/zinc/05/59/91/1367055991.db2.gz CKYZQVUCDHEIDM-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645432 1367090254 /nfs/dbraw/zinc/09/02/54/1367090254.db2.gz XZUQJSAIKPEAJE-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406211 1367107700 /nfs/dbraw/zinc/10/77/00/1367107700.db2.gz RNTUOKDTKQBXDM-YDZRNGNQSA-N 2 1 335.536 3.019 20 30 EGEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449159 1367128188 /nfs/dbraw/zinc/12/81/88/1367128188.db2.gz IKHGTUFYSGYTLF-YDZRNGNQSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449159 1367128195 /nfs/dbraw/zinc/12/81/95/1367128195.db2.gz IKHGTUFYSGYTLF-YDZRNGNQSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001109449159 1367128198 /nfs/dbraw/zinc/12/81/98/1367128198.db2.gz IKHGTUFYSGYTLF-YDZRNGNQSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109449159 1367128203 /nfs/dbraw/zinc/12/82/03/1367128203.db2.gz IKHGTUFYSGYTLF-YDZRNGNQSA-N 2 1 335.536 3.163 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109471925 1367143621 /nfs/dbraw/zinc/14/36/21/1367143621.db2.gz OVZWBKWPQXCYNA-QYZOEREBSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471925 1367143627 /nfs/dbraw/zinc/14/36/27/1367143627.db2.gz OVZWBKWPQXCYNA-QYZOEREBSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109471925 1367143630 /nfs/dbraw/zinc/14/36/30/1367143630.db2.gz OVZWBKWPQXCYNA-QYZOEREBSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743625 1367341339 /nfs/dbraw/zinc/34/13/39/1367341339.db2.gz MOPVENKQXIXPIM-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190743625 1367341341 /nfs/dbraw/zinc/34/13/41/1367341341.db2.gz MOPVENKQXIXPIM-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190743625 1367341343 /nfs/dbraw/zinc/34/13/43/1367341343.db2.gz MOPVENKQXIXPIM-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001110158268 1367530481 /nfs/dbraw/zinc/53/04/81/1367530481.db2.gz JXJRORSHLFOFFE-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001110158268 1367530484 /nfs/dbraw/zinc/53/04/84/1367530484.db2.gz JXJRORSHLFOFFE-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001110158268 1367530485 /nfs/dbraw/zinc/53/04/85/1367530485.db2.gz JXJRORSHLFOFFE-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923030 1367640679 /nfs/dbraw/zinc/64/06/79/1367640679.db2.gz PSZZSZWFPVJBOW-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923030 1367640683 /nfs/dbraw/zinc/64/06/83/1367640683.db2.gz PSZZSZWFPVJBOW-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923030 1367640699 /nfs/dbraw/zinc/64/06/99/1367640699.db2.gz PSZZSZWFPVJBOW-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193609933 1368073773 /nfs/dbraw/zinc/07/37/73/1368073773.db2.gz JYQDARULIDRBKZ-SFHVURJKSA-N 2 1 325.541 3.221 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193609933 1368073780 /nfs/dbraw/zinc/07/37/80/1368073780.db2.gz JYQDARULIDRBKZ-SFHVURJKSA-N 2 1 325.541 3.221 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001193609933 1368073786 /nfs/dbraw/zinc/07/37/86/1368073786.db2.gz JYQDARULIDRBKZ-SFHVURJKSA-N 2 1 325.541 3.221 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001186421057 1387938850 /nfs/dbraw/zinc/93/88/50/1387938850.db2.gz XAMBDBREASQRBW-LJQANCHMSA-N 2 1 337.552 3.435 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001196009988 1368534514 /nfs/dbraw/zinc/53/45/14/1368534514.db2.gz IJGPCVTYKYZHOU-SFHVURJKSA-N 2 1 343.531 3.171 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060033 1368540827 /nfs/dbraw/zinc/54/08/27/1368540827.db2.gz FSQXYUKXEBIJQP-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060033 1368540831 /nfs/dbraw/zinc/54/08/31/1368540831.db2.gz FSQXYUKXEBIJQP-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001196060033 1368540833 /nfs/dbraw/zinc/54/08/33/1368540833.db2.gz FSQXYUKXEBIJQP-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001111935814 1368566724 /nfs/dbraw/zinc/56/67/24/1368566724.db2.gz VKAHTRODFHGZKA-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641363 1368654382 /nfs/dbraw/zinc/65/43/82/1368654382.db2.gz CFVVGRPPIHJXDL-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285398 1368748665 /nfs/dbraw/zinc/74/86/65/1368748665.db2.gz WBUSRRKPPZEVBD-ZVDOUQERSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001113008039 1369132563 /nfs/dbraw/zinc/13/25/63/1369132563.db2.gz CWKZCVPDFCBKSF-RTBURBONSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001113008039 1369132567 /nfs/dbraw/zinc/13/25/67/1369132567.db2.gz CWKZCVPDFCBKSF-RTBURBONSA-N 2 1 335.536 3.118 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202756536 1369880417 /nfs/dbraw/zinc/88/04/17/1369880417.db2.gz BNHCNVYXPFEWCA-KRWDZBQOSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507588 1370148780 /nfs/dbraw/zinc/14/87/80/1370148780.db2.gz TXGSYYHSSLVGAL-MOPGFXCFSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577904 1370177075 /nfs/dbraw/zinc/17/70/75/1370177075.db2.gz UDHUFZRVBABURS-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203911136 1370311296 /nfs/dbraw/zinc/31/12/96/1370311296.db2.gz UGTCUFLHQZXKAU-FXAWDEMLSA-N 2 1 343.515 3.225 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536770 1370533376 /nfs/dbraw/zinc/53/33/76/1370533376.db2.gz GWWSXYNTOZLMJN-RBUKOAKNSA-N 2 1 347.547 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730975 1370713780 /nfs/dbraw/zinc/71/37/80/1370713780.db2.gz WMMXESRBMIXAMI-UHFFFAOYSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420425 1370749098 /nfs/dbraw/zinc/74/90/98/1370749098.db2.gz SXXONLAFANTUKJ-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768944 1370753488 /nfs/dbraw/zinc/75/34/88/1370753488.db2.gz OGTUEGMNWIXUBI-OALUTQOASA-N 2 1 347.547 3.378 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461559 1370762987 /nfs/dbraw/zinc/76/29/87/1370762987.db2.gz NLJFNONTTPQRCH-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006827 1370936363 /nfs/dbraw/zinc/93/63/63/1370936363.db2.gz SLUIBDYZXXUUHU-ICSRJNTNSA-N 2 1 349.563 3.291 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206024878 1370942038 /nfs/dbraw/zinc/94/20/38/1370942038.db2.gz LOGDQSIILOYGQZ-JSGCOSHPSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206473879 1371065720 /nfs/dbraw/zinc/06/57/20/1371065720.db2.gz BHFNHPDXIPSBIS-UHFFFAOYSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001206621875 1371110704 /nfs/dbraw/zinc/11/07/04/1371110704.db2.gz HFNGKAURNOZKQQ-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001208112651 1371598707 /nfs/dbraw/zinc/59/87/07/1371598707.db2.gz WIIVEDHBTHCUGQ-IBGZPJMESA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121261617 1371912977 /nfs/dbraw/zinc/91/29/77/1371912977.db2.gz YLLYKRGWDHTARW-RBUNFDSBSA-N 2 1 347.547 3.233 20 30 EGEDMP N#Cc1ccc(CCC[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001208862562 1371922766 /nfs/dbraw/zinc/92/27/66/1371922766.db2.gz IQCMKGPIQSRSGV-UHFFFAOYSA-N 2 1 329.463 3.389 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001188145403 1388249727 /nfs/dbraw/zinc/24/97/27/1388249727.db2.gz FIJTYXPBLSEOBG-WOJBJXKFSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246899 1388275111 /nfs/dbraw/zinc/27/51/11/1388275111.db2.gz OZKZOYJZFVPIGC-XUVXKRRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246899 1388275115 /nfs/dbraw/zinc/27/51/15/1388275115.db2.gz OZKZOYJZFVPIGC-XUVXKRRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246899 1388275119 /nfs/dbraw/zinc/27/51/19/1388275119.db2.gz OZKZOYJZFVPIGC-XUVXKRRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132068696 1375131100 /nfs/dbraw/zinc/13/11/00/1375131100.db2.gz ISFNJHIQNHZMLP-NVXWUHKLSA-N 2 1 349.544 3.359 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001132068696 1375131103 /nfs/dbraw/zinc/13/11/03/1375131103.db2.gz ISFNJHIQNHZMLP-NVXWUHKLSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202180 1375205734 /nfs/dbraw/zinc/20/57/34/1375205734.db2.gz DLCPDWXMYJGNAD-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226333914 1375241971 /nfs/dbraw/zinc/24/19/71/1375241971.db2.gz PVRZHOITRVBPMY-RCCFBDPRSA-N 2 1 346.519 3.380 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132314739 1375291987 /nfs/dbraw/zinc/29/19/87/1375291987.db2.gz NFQHXISTYIHWJW-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132314739 1375291991 /nfs/dbraw/zinc/29/19/91/1375291991.db2.gz NFQHXISTYIHWJW-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001132417364 1375364576 /nfs/dbraw/zinc/36/45/76/1375364576.db2.gz WLZYVYLBQVHQNU-PXNSSMCTSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227082911 1375386673 /nfs/dbraw/zinc/38/66/73/1375386673.db2.gz LCWRXFKRFNEUFZ-GUDVDZBRSA-N 2 1 337.552 3.458 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141609 1375802779 /nfs/dbraw/zinc/80/27/79/1375802779.db2.gz FWDPBYVBXSEGQP-MSOLQXFVSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230286760 1375983574 /nfs/dbraw/zinc/98/35/74/1375983574.db2.gz SFTPGRLKGUQLET-AQNXPRMDSA-N 2 1 343.515 3.273 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266251838 1377248067 /nfs/dbraw/zinc/24/80/67/1377248067.db2.gz HIMLCISSXXNDRD-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C#CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001138557739 1377742017 /nfs/dbraw/zinc/74/20/17/1377742017.db2.gz PWQMSMAGKQBQGF-VXKWHMMOSA-N 2 1 346.474 3.262 20 30 EGEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c(O)c1 ZINC001276493664 1378175858 /nfs/dbraw/zinc/17/58/58/1378175858.db2.gz KWGYDSGUVAABRZ-HDICACEKSA-N 2 1 339.483 3.350 20 30 EGEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](C4CCCC4)CC[C@@H]3C2)c(O)c1 ZINC001276493664 1378175861 /nfs/dbraw/zinc/17/58/61/1378175861.db2.gz KWGYDSGUVAABRZ-HDICACEKSA-N 2 1 339.483 3.350 20 30 EGEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](C4CCCC4)CC[C@@H]3C2)c(O)c1 ZINC001276493664 1378175864 /nfs/dbraw/zinc/17/58/64/1378175864.db2.gz KWGYDSGUVAABRZ-HDICACEKSA-N 2 1 339.483 3.350 20 30 EGEDMP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)CC[C@@H]3C2)c(O)c1 ZINC001276493664 1378175866 /nfs/dbraw/zinc/17/58/66/1378175866.db2.gz KWGYDSGUVAABRZ-HDICACEKSA-N 2 1 339.483 3.350 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148476911 1379181408 /nfs/dbraw/zinc/18/14/08/1379181408.db2.gz AAWPSSXBQQLDKC-RTBURBONSA-N 2 1 349.563 3.242 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001148820615 1379275607 /nfs/dbraw/zinc/27/56/07/1379275607.db2.gz XNRLVBIYRBGJGQ-OALUTQOASA-N 2 1 349.563 3.364 20 30 EGEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480572 1381261349 /nfs/dbraw/zinc/26/13/49/1381261349.db2.gz OFLHRUJXHSMTGT-MRXNPFEDSA-N 2 1 343.943 3.030 20 30 EGEDMP C=C(Cl)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480572 1381261350 /nfs/dbraw/zinc/26/13/50/1381261350.db2.gz OFLHRUJXHSMTGT-MRXNPFEDSA-N 2 1 343.943 3.030 20 30 EGEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480572 1381261333 /nfs/dbraw/zinc/26/13/33/1381261333.db2.gz OFLHRUJXHSMTGT-MRXNPFEDSA-N 2 1 343.943 3.030 20 30 EGEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480572 1381261345 /nfs/dbraw/zinc/26/13/45/1381261345.db2.gz OFLHRUJXHSMTGT-MRXNPFEDSA-N 2 1 343.943 3.030 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158949329 1381479491 /nfs/dbraw/zinc/47/94/91/1381479491.db2.gz KLVOMCGREFXYQN-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160121299 1382004275 /nfs/dbraw/zinc/00/42/75/1382004275.db2.gz WARFYXDVHHRVQU-ICSRJNTNSA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160121299 1382004279 /nfs/dbraw/zinc/00/42/79/1382004279.db2.gz WARFYXDVHHRVQU-ICSRJNTNSA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160121299 1382004285 /nfs/dbraw/zinc/00/42/85/1382004285.db2.gz WARFYXDVHHRVQU-ICSRJNTNSA-N 2 1 347.547 3.352 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617814 1382153644 /nfs/dbraw/zinc/15/36/44/1382153644.db2.gz UVZXTFPQHLTDSZ-UHFFFAOYSA-N 2 1 338.455 3.053 20 30 EGEDMP CCC[N@H+]1CCCC[C@H]1c1ccc(NC2(C#N)CC[NH+](C)CC2)nc1 ZINC001162231691 1382662759 /nfs/dbraw/zinc/66/27/59/1382662759.db2.gz YPJZVYWOEZGDDA-SFHVURJKSA-N 2 1 341.503 3.418 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001164455919 1383188487 /nfs/dbraw/zinc/18/84/87/1383188487.db2.gz JLWBLFZNFGIOFP-SFHVURJKSA-N 2 1 325.541 3.175 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514368 1383195216 /nfs/dbraw/zinc/19/52/16/1383195216.db2.gz QGVOJLOHBCMDGG-ROUUACIJSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578628 1383201512 /nfs/dbraw/zinc/20/15/12/1383201512.db2.gz JZDBMKNMBLFTIS-QGZVFWFLSA-N 2 1 346.519 3.239 20 30 EGEDMP Cc1[nH+]c(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)ccc1CC#N ZINC001165417412 1383291687 /nfs/dbraw/zinc/29/16/87/1383291687.db2.gz FFMXVSNVSLPLHF-CTNGQTDRSA-N 2 1 332.451 3.040 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472320 1383300525 /nfs/dbraw/zinc/30/05/25/1383300525.db2.gz KUUMMXWVZYATIY-OALUTQOASA-N 2 1 349.563 3.195 20 30 EGEDMP CC(C)(Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccc(C#N)cc1 ZINC001165752750 1383338883 /nfs/dbraw/zinc/33/88/83/1383338883.db2.gz IKCACRLBZGZLDU-UHFFFAOYSA-N 2 1 331.423 3.240 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170788143 1384385707 /nfs/dbraw/zinc/38/57/07/1384385707.db2.gz ZMGRZJPOGQNXCK-RTBURBONSA-N 2 1 349.563 3.482 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001171182817 1384461995 /nfs/dbraw/zinc/46/19/95/1384461995.db2.gz YZQUTALOARRBQR-SFHVURJKSA-N 2 1 349.478 3.111 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128269 1384736678 /nfs/dbraw/zinc/73/66/78/1384736678.db2.gz QPOQCEVWXYXOTE-IYWMVGAKSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128269 1384736681 /nfs/dbraw/zinc/73/66/81/1384736681.db2.gz QPOQCEVWXYXOTE-IYWMVGAKSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128269 1384736685 /nfs/dbraw/zinc/73/66/85/1384736685.db2.gz QPOQCEVWXYXOTE-IYWMVGAKSA-N 2 1 339.483 3.417 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172319584 1384769211 /nfs/dbraw/zinc/76/92/11/1384769211.db2.gz PBMGLCUOLLSKAB-KRWDZBQOSA-N 2 1 341.499 3.064 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172319584 1384769215 /nfs/dbraw/zinc/76/92/15/1384769215.db2.gz PBMGLCUOLLSKAB-KRWDZBQOSA-N 2 1 341.499 3.064 20 30 EGEDMP COC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)CCCC#N)CC2)c1 ZINC001172509716 1384807283 /nfs/dbraw/zinc/80/72/83/1384807283.db2.gz OPNMNNQXHKHQNU-MRXNPFEDSA-N 2 1 343.471 3.110 20 30 EGEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(CC#N)CC1)C2 ZINC001173333107 1384960787 /nfs/dbraw/zinc/96/07/87/1384960787.db2.gz KUJQOUIDLFRIGY-OPWVIFHQSA-N 2 1 345.531 3.139 20 30 EGEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173333107 1384960790 /nfs/dbraw/zinc/96/07/90/1384960790.db2.gz KUJQOUIDLFRIGY-OPWVIFHQSA-N 2 1 345.531 3.139 20 30 EGEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173333107 1384960792 /nfs/dbraw/zinc/96/07/92/1384960792.db2.gz KUJQOUIDLFRIGY-OPWVIFHQSA-N 2 1 345.531 3.139 20 30 EGEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882917 1385164980 /nfs/dbraw/zinc/16/49/80/1385164980.db2.gz YMLNOUBXEUHVRP-QUCCMNQESA-N 2 1 347.547 3.071 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175263474 1385233683 /nfs/dbraw/zinc/23/36/83/1385233683.db2.gz QAZMAZFIPFWWDX-QFBILLFUSA-N 2 1 341.515 3.040 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001177340076 1385920693 /nfs/dbraw/zinc/92/06/93/1385920693.db2.gz ZPXVIIDAVDOZNR-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@H+](C)CC ZINC001177353276 1385925943 /nfs/dbraw/zinc/92/59/43/1385925943.db2.gz WUSSWFIVEYDSIR-UHFFFAOYSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177416271 1385949686 /nfs/dbraw/zinc/94/96/86/1385949686.db2.gz YKYCQNUQMFDBRW-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177466981 1385967602 /nfs/dbraw/zinc/96/76/02/1385967602.db2.gz OELDIAZZDPOUTA-FQEVSTJZSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001177473432 1385970594 /nfs/dbraw/zinc/97/05/94/1385970594.db2.gz VMEFVBQMMWCEQI-NRFANRHFSA-N 2 1 347.547 3.047 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490429 1386234183 /nfs/dbraw/zinc/23/41/83/1386234183.db2.gz NPFIPUFNMGIKFT-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388293 1386471534 /nfs/dbraw/zinc/47/15/34/1386471534.db2.gz DVEFCEAZAZTJDU-ZCNNSNEGSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550414 1386511832 /nfs/dbraw/zinc/51/18/32/1386511832.db2.gz VVLCWUJDUCWROR-ROUUACIJSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179634404 1386537259 /nfs/dbraw/zinc/53/72/59/1386537259.db2.gz RUVGIYUGGHOUQH-ROUUACIJSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181942095 1387080253 /nfs/dbraw/zinc/08/02/53/1387080253.db2.gz YYCLZBVGUKAMKG-FUHIMQAGSA-N 2 1 337.552 3.146 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001181959210 1387082834 /nfs/dbraw/zinc/08/28/34/1387082834.db2.gz RTDSWCBGMXSBJR-DYESRHJHSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629307 1387198933 /nfs/dbraw/zinc/19/89/33/1387198933.db2.gz CATYOFHLKJZHFG-SFHLNBCPSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001716726577 1420885350 /nfs/dbraw/zinc/88/53/50/1420885350.db2.gz POVSZRNVPGVZHS-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001753443517 1440402739 /nfs/dbraw/zinc/40/27/39/1440402739.db2.gz XVOOQRMAQLWXLW-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001753443517 1440402740 /nfs/dbraw/zinc/40/27/40/1440402740.db2.gz XVOOQRMAQLWXLW-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001753443517 1440402741 /nfs/dbraw/zinc/40/27/41/1440402741.db2.gz XVOOQRMAQLWXLW-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001753573329 1440438840 /nfs/dbraw/zinc/43/88/40/1440438840.db2.gz RYJBCPDPEZOPBT-HXUWFJFHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001754544563 1440626887 /nfs/dbraw/zinc/62/68/87/1440626887.db2.gz BKHPTPNKPVFQRZ-NXEWRWPSSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001754873567 1440706065 /nfs/dbraw/zinc/70/60/65/1440706065.db2.gz OAVYDLBTBSNPFW-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001754873567 1440706066 /nfs/dbraw/zinc/70/60/66/1440706066.db2.gz OAVYDLBTBSNPFW-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001754873567 1440706067 /nfs/dbraw/zinc/70/60/67/1440706067.db2.gz OAVYDLBTBSNPFW-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001754962624 1440717945 /nfs/dbraw/zinc/71/79/45/1440717945.db2.gz IWQZCQVIZZRGRQ-IBGZPJMESA-N 2 1 349.563 3.223 20 30 EGEDMP C=CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001755278722 1440799969 /nfs/dbraw/zinc/79/99/69/1440799969.db2.gz NVZJIOTZJBCIBN-CTWPCTMYSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001755412639 1440847030 /nfs/dbraw/zinc/84/70/30/1440847030.db2.gz OYTWZXMTXJMPPH-SFHVURJKSA-N 2 1 349.563 3.412 20 30 EGEDMP CC[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544295 267221523 /nfs/dbraw/zinc/22/15/23/267221523.db2.gz UDAKPKGXGCGNKI-FCHUYYIVSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@H](NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544295 267221527 /nfs/dbraw/zinc/22/15/27/267221527.db2.gz UDAKPKGXGCGNKI-FCHUYYIVSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544295 267221529 /nfs/dbraw/zinc/22/15/29/267221529.db2.gz UDAKPKGXGCGNKI-FCHUYYIVSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544295 267221532 /nfs/dbraw/zinc/22/15/32/267221532.db2.gz UDAKPKGXGCGNKI-FCHUYYIVSA-N 2 1 349.478 3.236 20 30 EGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000539086292 314295101 /nfs/dbraw/zinc/29/51/01/314295101.db2.gz GFYTUAWUOPRKSK-AVRDEDQJSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000539086292 314295105 /nfs/dbraw/zinc/29/51/05/314295105.db2.gz GFYTUAWUOPRKSK-AVRDEDQJSA-N 2 1 349.478 3.437 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000066960717 453890378 /nfs/dbraw/zinc/89/03/78/453890378.db2.gz QBFMJWDWMGDLJE-GOSISDBHSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156908868 455156437 /nfs/dbraw/zinc/15/64/37/455156437.db2.gz BUVMYAHWFSVVQH-QKLQHJQFSA-N 2 1 343.515 3.074 20 30 EGEDMP C[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665438 455592545 /nfs/dbraw/zinc/59/25/45/455592545.db2.gz OYJOPXZMRUSGNP-SJLPKXTDSA-N 2 1 327.472 3.180 20 30 EGEDMP COc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185673313 455593824 /nfs/dbraw/zinc/59/38/24/455593824.db2.gz USDHMMPVQWYGSF-YJBOKZPZSA-N 2 1 327.472 3.309 20 30 EGEDMP COc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185673313 455593827 /nfs/dbraw/zinc/59/38/27/455593827.db2.gz USDHMMPVQWYGSF-YJBOKZPZSA-N 2 1 327.472 3.309 20 30 EGEDMP N#CCC[C@H](C#N)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293395182 455784623 /nfs/dbraw/zinc/78/46/23/455784623.db2.gz QUWDIWUQLZOVBH-HXUWFJFHSA-N 2 1 336.483 3.418 20 30 EGEDMP N#CCC[C@H](C#N)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293395182 455784627 /nfs/dbraw/zinc/78/46/27/455784627.db2.gz QUWDIWUQLZOVBH-HXUWFJFHSA-N 2 1 336.483 3.418 20 30 EGEDMP [NH2+]=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1ccccn1 ZINC000262254852 456017663 /nfs/dbraw/zinc/01/76/63/456017663.db2.gz CPVOTYIJCPWALZ-GOSISDBHSA-N 2 1 337.471 3.111 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)ccc1OC ZINC000290622421 456385813 /nfs/dbraw/zinc/38/58/13/456385813.db2.gz XKECZFFDQZOPFF-SJLPKXTDSA-N 2 1 332.488 3.422 20 30 EGEDMP C=C(C)COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290622421 456385818 /nfs/dbraw/zinc/38/58/18/456385818.db2.gz XKECZFFDQZOPFF-SJLPKXTDSA-N 2 1 332.488 3.422 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290622421 456385825 /nfs/dbraw/zinc/38/58/25/456385825.db2.gz XKECZFFDQZOPFF-SJLPKXTDSA-N 2 1 332.488 3.422 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000329720230 456931826 /nfs/dbraw/zinc/93/18/26/456931826.db2.gz AIOMSTJEOMCNAD-UXLLHSPISA-N 2 1 346.519 3.467 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000329720230 456931830 /nfs/dbraw/zinc/93/18/30/456931830.db2.gz AIOMSTJEOMCNAD-UXLLHSPISA-N 2 1 346.519 3.467 20 30 EGEDMP Cc1ncc2n1CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C2 ZINC000329768796 456938182 /nfs/dbraw/zinc/93/81/82/456938182.db2.gz DYUDUNTXFIKDMT-ZBFHGGJFSA-N 2 1 332.492 3.221 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000329768796 456938186 /nfs/dbraw/zinc/93/81/86/456938186.db2.gz DYUDUNTXFIKDMT-ZBFHGGJFSA-N 2 1 332.492 3.221 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C2 ZINC000329768796 456938191 /nfs/dbraw/zinc/93/81/91/456938191.db2.gz DYUDUNTXFIKDMT-ZBFHGGJFSA-N 2 1 332.492 3.221 20 30 EGEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329821808 456946064 /nfs/dbraw/zinc/94/60/64/456946064.db2.gz APYAFAAHSKEULX-ZNMIVQPWSA-N 2 1 332.492 3.325 20 30 EGEDMP CCC[N@H+](CC1(C#N)CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450555377 458452268 /nfs/dbraw/zinc/45/22/68/458452268.db2.gz FVQIDQQASFFUMB-UHFFFAOYSA-N 2 1 341.503 3.468 20 30 EGEDMP CCC[N@@H+](CC1(C#N)CCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450555377 458452275 /nfs/dbraw/zinc/45/22/75/458452275.db2.gz FVQIDQQASFFUMB-UHFFFAOYSA-N 2 1 341.503 3.468 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560546043 459371077 /nfs/dbraw/zinc/37/10/77/459371077.db2.gz SKBUTMHPGMPCKV-FNAHDJPLSA-N 2 1 342.527 3.451 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000498908373 459610531 /nfs/dbraw/zinc/61/05/31/459610531.db2.gz BKJAXSSSCBXSBC-IBGZPJMESA-N 2 1 341.499 3.381 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000498908373 459610537 /nfs/dbraw/zinc/61/05/37/459610537.db2.gz BKJAXSSSCBXSBC-IBGZPJMESA-N 2 1 341.499 3.381 20 30 EGEDMP N#Cc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000602483786 459961247 /nfs/dbraw/zinc/96/12/47/459961247.db2.gz LRQSXCWPPPMKQE-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594440432 460221406 /nfs/dbraw/zinc/22/14/06/460221406.db2.gz CGFBJJYGCQCCAV-QFBILLFUSA-N 2 1 342.487 3.411 20 30 EGEDMP N#CCC[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000601964624 460964402 /nfs/dbraw/zinc/96/44/02/460964402.db2.gz JMZZYTMMHCEQML-FCHUYYIVSA-N 2 1 349.478 3.258 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000152976747 526604735 /nfs/dbraw/zinc/60/47/35/526604735.db2.gz CCAUEEIPXRQWDC-SFHVURJKSA-N 3 1 345.531 3.318 20 30 EGEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NCC1(c2cccs2)CCCCC1 ZINC000262439888 1296633083 /nfs/dbraw/zinc/63/30/83/1296633083.db2.gz CQOMMIGHEHZVLV-MRXNPFEDSA-N 2 1 348.560 3.067 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000303779577 1296853729 /nfs/dbraw/zinc/85/37/29/1296853729.db2.gz KQUTYCQBAUCNTI-MRXNPFEDSA-N 2 1 332.492 3.465 20 30 EGEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303789694 1296858622 /nfs/dbraw/zinc/85/86/22/1296858622.db2.gz VNRUDOICVZQOLI-ZACQAIPSSA-N 2 1 346.519 3.426 20 30 EGEDMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C#N ZINC000708588524 1298243746 /nfs/dbraw/zinc/24/37/46/1298243746.db2.gz WADXPASASXLLGS-UTKZUKDTSA-N 2 1 349.478 3.425 20 30 EGEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(C#N)ccc2Br)C1 ZINC000894495849 1308921514 /nfs/dbraw/zinc/92/15/14/1308921514.db2.gz LLJIPEPJAWHAIW-RHSMWYFYSA-N 2 1 348.288 3.237 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813327028 1318533967 /nfs/dbraw/zinc/53/39/67/1318533967.db2.gz YOSPZKDUVIEXIU-GHTZIAJQSA-N 2 1 327.516 3.280 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000813327028 1318533970 /nfs/dbraw/zinc/53/39/70/1318533970.db2.gz YOSPZKDUVIEXIU-GHTZIAJQSA-N 2 1 327.516 3.280 20 30 EGEDMP CC(C)[N@H+]1CC[C@@H](C[NH+]=C(NCCc2ccccc2)NC(C)(C)C)C1 ZINC000912506571 1318894780 /nfs/dbraw/zinc/89/47/80/1318894780.db2.gz QJPLUWPHQFHNHK-IBGZPJMESA-N 2 1 344.547 3.293 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000815652590 1319038487 /nfs/dbraw/zinc/03/84/87/1319038487.db2.gz JIUJFCFYLUHFKS-INIZCTEOSA-N 2 1 339.252 3.120 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000815652590 1319038497 /nfs/dbraw/zinc/03/84/97/1319038497.db2.gz JIUJFCFYLUHFKS-INIZCTEOSA-N 2 1 339.252 3.120 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632952 1319753474 /nfs/dbraw/zinc/75/34/74/1319753474.db2.gz SDAAECJBNNAXFJ-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632952 1319753485 /nfs/dbraw/zinc/75/34/85/1319753485.db2.gz SDAAECJBNNAXFJ-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632952 1319753494 /nfs/dbraw/zinc/75/34/94/1319753494.db2.gz SDAAECJBNNAXFJ-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(OC)c1OC ZINC000838939215 1320837782 /nfs/dbraw/zinc/83/77/82/1320837782.db2.gz KMSIVLZHPBATBO-UHFFFAOYSA-N 2 1 330.472 3.149 20 30 EGEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCC3(C#N)CCC3)CC2)CC1 ZINC000930751170 1328956834 /nfs/dbraw/zinc/95/68/34/1328956834.db2.gz QLBITEGBDBBFDV-UHFFFAOYSA-N 2 1 346.563 3.343 20 30 EGEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000924776340 1323157817 /nfs/dbraw/zinc/15/78/17/1323157817.db2.gz LMQQXSTUTBQUBB-IAGOWNOFSA-N 2 1 329.488 3.325 20 30 EGEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000924776340 1323157821 /nfs/dbraw/zinc/15/78/21/1323157821.db2.gz LMQQXSTUTBQUBB-IAGOWNOFSA-N 2 1 329.488 3.325 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024460823 1323416608 /nfs/dbraw/zinc/41/66/08/1323416608.db2.gz GXWAYWKPGKCKKR-KRWDZBQOSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024460823 1323416612 /nfs/dbraw/zinc/41/66/12/1323416612.db2.gz GXWAYWKPGKCKKR-KRWDZBQOSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024615524 1323541841 /nfs/dbraw/zinc/54/18/41/1323541841.db2.gz USZBFQKXAMCWCO-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615524 1323541844 /nfs/dbraw/zinc/54/18/44/1323541844.db2.gz USZBFQKXAMCWCO-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024615524 1323541847 /nfs/dbraw/zinc/54/18/47/1323541847.db2.gz USZBFQKXAMCWCO-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241563 1324036094 /nfs/dbraw/zinc/03/60/94/1324036094.db2.gz YNAKGCFXLPSVBF-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241563 1324036101 /nfs/dbraw/zinc/03/61/01/1324036101.db2.gz YNAKGCFXLPSVBF-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241563 1324036107 /nfs/dbraw/zinc/03/61/07/1324036107.db2.gz YNAKGCFXLPSVBF-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266792 1324079212 /nfs/dbraw/zinc/07/92/12/1324079212.db2.gz LPUNDGHJSFFBCC-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266792 1324079218 /nfs/dbraw/zinc/07/92/18/1324079218.db2.gz LPUNDGHJSFFBCC-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266792 1324079224 /nfs/dbraw/zinc/07/92/24/1324079224.db2.gz LPUNDGHJSFFBCC-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025274568 1324092911 /nfs/dbraw/zinc/09/29/11/1324092911.db2.gz KRNBMMCUWQUJHX-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001026590916 1324916507 /nfs/dbraw/zinc/91/65/07/1324916507.db2.gz LJHVHWBQSGYYBM-ACBHZAAOSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049760673 1348005938 /nfs/dbraw/zinc/00/59/38/1348005938.db2.gz AXXJZFKGZIOIBN-VAMGGRTRSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942100043 1331830045 /nfs/dbraw/zinc/83/00/45/1331830045.db2.gz MXPFIXGHEIYGRY-NVXWUHKLSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829295 1333700795 /nfs/dbraw/zinc/70/07/95/1333700795.db2.gz JEBWMZOFICGJTD-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829295 1333700798 /nfs/dbraw/zinc/70/07/98/1333700798.db2.gz JEBWMZOFICGJTD-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829295 1333700800 /nfs/dbraw/zinc/70/08/00/1333700800.db2.gz JEBWMZOFICGJTD-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968688018 1336011665 /nfs/dbraw/zinc/01/16/65/1336011665.db2.gz JGWYIBYCOWUYGQ-SJLPKXTDSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968688017 1336011837 /nfs/dbraw/zinc/01/18/37/1336011837.db2.gz JGWYIBYCOWUYGQ-FUHWJXTLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968991387 1336112480 /nfs/dbraw/zinc/11/24/80/1336112480.db2.gz YOXIFZWABCSXRD-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968991387 1336112481 /nfs/dbraw/zinc/11/24/81/1336112481.db2.gz YOXIFZWABCSXRD-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968991387 1336112482 /nfs/dbraw/zinc/11/24/82/1336112482.db2.gz YOXIFZWABCSXRD-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100711 1336142874 /nfs/dbraw/zinc/14/28/74/1336142874.db2.gz GAMWNUVQLJFHJJ-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016660797 1338682221 /nfs/dbraw/zinc/68/22/21/1338682221.db2.gz BMWCOJVKTLVPPO-RTBURBONSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028543773 1340695362 /nfs/dbraw/zinc/69/53/62/1340695362.db2.gz YMUPEXMGLVDVLD-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028543773 1340695364 /nfs/dbraw/zinc/69/53/64/1340695364.db2.gz YMUPEXMGLVDVLD-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028543773 1340695365 /nfs/dbraw/zinc/69/53/65/1340695365.db2.gz YMUPEXMGLVDVLD-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041722797 1345831803 /nfs/dbraw/zinc/83/18/03/1345831803.db2.gz AGANSZZNCMTIFB-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722797 1345831805 /nfs/dbraw/zinc/83/18/05/1345831805.db2.gz AGANSZZNCMTIFB-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722797 1345831811 /nfs/dbraw/zinc/83/18/11/1345831811.db2.gz AGANSZZNCMTIFB-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001045589722 1346638748 /nfs/dbraw/zinc/63/87/48/1346638748.db2.gz NCOKXKSGZKPPCM-UHFFFAOYSA-N 2 1 349.906 3.085 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864306 1347137200 /nfs/dbraw/zinc/13/72/00/1347137200.db2.gz SCGCKXBNYUMFRD-FQEVSTJZSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001048540002 1347584114 /nfs/dbraw/zinc/58/41/14/1347584114.db2.gz WBQTXHZGNKFWHF-YRPNKDGESA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048540002 1347584117 /nfs/dbraw/zinc/58/41/17/1347584117.db2.gz WBQTXHZGNKFWHF-YRPNKDGESA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001048540002 1347584118 /nfs/dbraw/zinc/58/41/18/1347584118.db2.gz WBQTXHZGNKFWHF-YRPNKDGESA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583842 1347605940 /nfs/dbraw/zinc/60/59/40/1347605940.db2.gz RTGZZFIUIZDMDX-OMZCGLGVSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762742 1348668072 /nfs/dbraw/zinc/66/80/72/1348668072.db2.gz BKRJKCPDEVSZAE-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762742 1348668074 /nfs/dbraw/zinc/66/80/74/1348668074.db2.gz BKRJKCPDEVSZAE-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762742 1348668076 /nfs/dbraw/zinc/66/80/76/1348668076.db2.gz BKRJKCPDEVSZAE-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763163 1348668889 /nfs/dbraw/zinc/66/88/89/1348668889.db2.gz DOPKVBJXUXIWJK-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967076 1348778732 /nfs/dbraw/zinc/77/87/32/1348778732.db2.gz DBJIEULHRDRKFH-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105617 1348943492 /nfs/dbraw/zinc/94/34/92/1348943492.db2.gz QADLTHVHRUOUFP-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001088367629 1359852005 /nfs/dbraw/zinc/85/20/05/1359852005.db2.gz OURHPOYXHFYIMY-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509421 1360480860 /nfs/dbraw/zinc/48/08/60/1360480860.db2.gz BRTHLJJZKWKQJF-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509421 1360480863 /nfs/dbraw/zinc/48/08/63/1360480863.db2.gz BRTHLJJZKWKQJF-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510640 1360482193 /nfs/dbraw/zinc/48/21/93/1360482193.db2.gz ZHEZOHXTFDZSTE-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC(C)(C)C1 ZINC001089536686 1360496033 /nfs/dbraw/zinc/49/60/33/1360496033.db2.gz FJGXVENMXIMNGP-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089536686 1360496034 /nfs/dbraw/zinc/49/60/34/1360496034.db2.gz FJGXVENMXIMNGP-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089536686 1360496036 /nfs/dbraw/zinc/49/60/36/1360496036.db2.gz FJGXVENMXIMNGP-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642380 1360555374 /nfs/dbraw/zinc/55/53/74/1360555374.db2.gz KOCFOVVHRWVOJX-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642380 1360555376 /nfs/dbraw/zinc/55/53/76/1360555376.db2.gz KOCFOVVHRWVOJX-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642380 1360555378 /nfs/dbraw/zinc/55/53/78/1360555378.db2.gz KOCFOVVHRWVOJX-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089648530 1360561660 /nfs/dbraw/zinc/56/16/60/1360561660.db2.gz LYPHJZMGKVBNAP-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089648530 1360561663 /nfs/dbraw/zinc/56/16/63/1360561663.db2.gz LYPHJZMGKVBNAP-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089648530 1360561665 /nfs/dbraw/zinc/56/16/65/1360561665.db2.gz LYPHJZMGKVBNAP-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096605067 1362594243 /nfs/dbraw/zinc/59/42/43/1362594243.db2.gz YSLMHHATHJHELS-AABGKKOBSA-N 2 1 341.499 3.050 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106371 1363624886 /nfs/dbraw/zinc/62/48/86/1363624886.db2.gz DWULGQWKTPLJOG-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106371 1363624888 /nfs/dbraw/zinc/62/48/88/1363624888.db2.gz DWULGQWKTPLJOG-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106371 1363624889 /nfs/dbraw/zinc/62/48/89/1363624889.db2.gz DWULGQWKTPLJOG-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185227269 1387656853 /nfs/dbraw/zinc/65/68/53/1387656853.db2.gz WKKRMEWRJJOUNA-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185308481 1387677543 /nfs/dbraw/zinc/67/75/43/1387677543.db2.gz WLOOLXSLHIFEPR-PKOBYXMFSA-N 2 1 346.519 3.012 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341647 1364518370 /nfs/dbraw/zinc/51/83/70/1364518370.db2.gz NSCLSEONDUXYAV-QUCCMNQESA-N 2 1 349.563 3.079 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102582939 1365124119 /nfs/dbraw/zinc/12/41/19/1365124119.db2.gz DIAAMCRABMJMSY-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185546396 1387744164 /nfs/dbraw/zinc/74/41/64/1387744164.db2.gz BKYKWKNOHXPGIX-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107035831 1366862161 /nfs/dbraw/zinc/86/21/61/1366862161.db2.gz AHIABYVMWMLPRU-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646580 1367091685 /nfs/dbraw/zinc/09/16/85/1367091685.db2.gz LKELOGWIZLHYFF-SVFBPWRDSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148393 1367525748 /nfs/dbraw/zinc/52/57/48/1367525748.db2.gz YLKRJTVRRJDKNP-AABGKKOBSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704696 1367543707 /nfs/dbraw/zinc/54/37/07/1367543707.db2.gz QIAUOFXEGHJNIW-NSHGMRRFSA-N 2 1 349.563 3.410 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832155 1367625395 /nfs/dbraw/zinc/62/53/95/1367625395.db2.gz OGEIBXKTTPRVRQ-FHWLQOOXSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832156 1367625662 /nfs/dbraw/zinc/62/56/62/1367625662.db2.gz OGEIBXKTTPRVRQ-OTWHNJEPSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424671 1368026251 /nfs/dbraw/zinc/02/62/51/1368026251.db2.gz OTEFMUGPLWXAMK-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424671 1368026255 /nfs/dbraw/zinc/02/62/55/1368026255.db2.gz OTEFMUGPLWXAMK-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424671 1368026259 /nfs/dbraw/zinc/02/62/59/1368026259.db2.gz OTEFMUGPLWXAMK-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001110942608 1368110513 /nfs/dbraw/zinc/11/05/13/1368110513.db2.gz UTKJKOXADCDNES-OMZCGLGVSA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001110942608 1368110516 /nfs/dbraw/zinc/11/05/16/1368110516.db2.gz UTKJKOXADCDNES-OMZCGLGVSA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001110942608 1368110520 /nfs/dbraw/zinc/11/05/20/1368110520.db2.gz UTKJKOXADCDNES-OMZCGLGVSA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111179557 1368181990 /nfs/dbraw/zinc/18/19/90/1368181990.db2.gz MNNTYHOHFUOVCP-AQNXPRMDSA-N 2 1 349.563 3.410 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855650 1368507980 /nfs/dbraw/zinc/50/79/80/1368507980.db2.gz GPMYBQIEVYOTSQ-RXVVDRJESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001196890584 1368708305 /nfs/dbraw/zinc/70/83/05/1368708305.db2.gz RBTPFPIHNHQLFI-FQEVSTJZSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890584 1368708310 /nfs/dbraw/zinc/70/83/10/1368708310.db2.gz RBTPFPIHNHQLFI-FQEVSTJZSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890584 1368708312 /nfs/dbraw/zinc/70/83/12/1368708312.db2.gz RBTPFPIHNHQLFI-FQEVSTJZSA-N 2 1 349.563 3.389 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196917185 1368712620 /nfs/dbraw/zinc/71/26/20/1368712620.db2.gz FBTCFHXTDPRYFY-OALUTQOASA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001196917185 1368712624 /nfs/dbraw/zinc/71/26/24/1368712624.db2.gz FBTCFHXTDPRYFY-OALUTQOASA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001196917185 1368712627 /nfs/dbraw/zinc/71/26/27/1368712627.db2.gz FBTCFHXTDPRYFY-OALUTQOASA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112585605 1368937808 /nfs/dbraw/zinc/93/78/08/1368937808.db2.gz HRUMDCOOMVZVOQ-ZVDOUQERSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198244231 1368987724 /nfs/dbraw/zinc/98/77/24/1368987724.db2.gz VHMYDLMHWWNVNT-UHFFFAOYSA-N 2 1 335.536 3.143 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001113008038 1369132759 /nfs/dbraw/zinc/13/27/59/1369132759.db2.gz CWKZCVPDFCBKSF-RBUKOAKNSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001113008038 1369132762 /nfs/dbraw/zinc/13/27/62/1369132762.db2.gz CWKZCVPDFCBKSF-RBUKOAKNSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001113247785 1369290697 /nfs/dbraw/zinc/29/06/97/1369290697.db2.gz GBXXYJGNAAORPM-IBGZPJMESA-N 2 1 337.552 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001113419632 1369414140 /nfs/dbraw/zinc/41/41/40/1369414140.db2.gz YCWPMMXCWMQXSL-MOPGFXCFSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001113419632 1369414142 /nfs/dbraw/zinc/41/41/42/1369414142.db2.gz YCWPMMXCWMQXSL-MOPGFXCFSA-N 2 1 335.536 3.118 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230245 1370032903 /nfs/dbraw/zinc/03/29/03/1370032903.db2.gz LBBQWXCJXNNFAD-RBUKOAKNSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203506739 1370148023 /nfs/dbraw/zinc/14/80/23/1370148023.db2.gz LEVUSOGRSMYZQN-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507589 1370148804 /nfs/dbraw/zinc/14/88/04/1370148804.db2.gz TXGSYYHSSLVGAL-OALUTQOASA-N 2 1 349.563 3.482 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001115057647 1370246578 /nfs/dbraw/zinc/24/65/78/1370246578.db2.gz HCIKMQXYLVPOCB-PMOLBWCYSA-N 2 1 349.563 3.124 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611478 1370610325 /nfs/dbraw/zinc/61/03/25/1370610325.db2.gz JTJTYBMTUSUABL-GOSISDBHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205290854 1370708958 /nfs/dbraw/zinc/70/89/58/1370708958.db2.gz NRUMZVDIRHIUPS-IBGZPJMESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483726 1370769118 /nfs/dbraw/zinc/76/91/18/1370769118.db2.gz OTHDZMRIRLZMAC-MJGOQNOKSA-N 2 1 335.536 3.044 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCC[C@@H]1C[NH3+] ZINC001206002897 1370934701 /nfs/dbraw/zinc/93/47/01/1370934701.db2.gz CJWMWDCLRDNBRX-GXTWGEPZSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(C#N)c2)CCC[C@@H]1C[NH3+] ZINC001206011485 1370938261 /nfs/dbraw/zinc/93/82/61/1370938261.db2.gz CPYZQCCTXWAWPV-TZMCWYRMSA-N 2 1 336.277 3.128 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206960156 1371247990 /nfs/dbraw/zinc/24/79/90/1371247990.db2.gz VVWPYDYVRFFUSR-GUDVDZBRSA-N 2 1 337.552 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206960156 1371247998 /nfs/dbraw/zinc/24/79/98/1371247998.db2.gz VVWPYDYVRFFUSR-GUDVDZBRSA-N 2 1 337.552 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001206960156 1371248003 /nfs/dbraw/zinc/24/80/03/1371248003.db2.gz VVWPYDYVRFFUSR-GUDVDZBRSA-N 2 1 337.552 3.266 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207539136 1371429027 /nfs/dbraw/zinc/42/90/27/1371429027.db2.gz ZXLQJLNMRFKKBT-HSALFYBXSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207539136 1371429032 /nfs/dbraw/zinc/42/90/32/1371429032.db2.gz ZXLQJLNMRFKKBT-HSALFYBXSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207539136 1371429036 /nfs/dbraw/zinc/42/90/36/1371429036.db2.gz ZXLQJLNMRFKKBT-HSALFYBXSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682662 1371473729 /nfs/dbraw/zinc/47/37/29/1371473729.db2.gz SLWPSSVEHKTKPB-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207789658 1371505703 /nfs/dbraw/zinc/50/57/03/1371505703.db2.gz CTNMGIHAEOXEQZ-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207789658 1371505705 /nfs/dbraw/zinc/50/57/05/1371505705.db2.gz CTNMGIHAEOXEQZ-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207789658 1371505708 /nfs/dbraw/zinc/50/57/08/1371505708.db2.gz CTNMGIHAEOXEQZ-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049027 1371580381 /nfs/dbraw/zinc/58/03/81/1371580381.db2.gz LMZHQHLRMTZOHI-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049662 1371580532 /nfs/dbraw/zinc/58/05/32/1371580532.db2.gz PNNXPLMEBLLYKD-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114710 1371599521 /nfs/dbraw/zinc/59/95/21/1371599521.db2.gz SSVSITLQGRXLOR-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2CC2CC2)C1 ZINC001209202638 1372035620 /nfs/dbraw/zinc/03/56/20/1372035620.db2.gz GPSCRMAPZMFKTJ-HKBOAZHASA-N 2 1 342.531 3.414 20 30 EGEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001209202638 1372035623 /nfs/dbraw/zinc/03/56/23/1372035623.db2.gz GPSCRMAPZMFKTJ-HKBOAZHASA-N 2 1 342.531 3.414 20 30 EGEDMP C=CCCCCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001209423529 1372102724 /nfs/dbraw/zinc/10/27/24/1372102724.db2.gz WLTGXZYFSQWLBB-SFHVURJKSA-N 2 1 336.520 3.472 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001209424322 1372103175 /nfs/dbraw/zinc/10/31/75/1372103175.db2.gz PIAWYOCMDJFCOG-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001209440389 1372107318 /nfs/dbraw/zinc/10/73/18/1372107318.db2.gz JKFAMFXOXRQAQZ-SFHVURJKSA-N 2 1 336.520 3.472 20 30 EGEDMP C=CCCCCCCCC[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001209442644 1372107442 /nfs/dbraw/zinc/10/74/42/1372107442.db2.gz APAOEIYMCYERCF-UHFFFAOYSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892112 1372224287 /nfs/dbraw/zinc/22/42/87/1372224287.db2.gz LVBZGSPEVSWTNU-SFHVURJKSA-N 2 1 346.519 3.334 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243367 1372302693 /nfs/dbraw/zinc/30/26/93/1372302693.db2.gz JTMFTBGDABWNTP-MISYRCLQSA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243367 1372302699 /nfs/dbraw/zinc/30/26/99/1372302699.db2.gz JTMFTBGDABWNTP-MISYRCLQSA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243367 1372302701 /nfs/dbraw/zinc/30/27/01/1372302701.db2.gz JTMFTBGDABWNTP-MISYRCLQSA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243367 1372302704 /nfs/dbraw/zinc/30/27/04/1372302704.db2.gz JTMFTBGDABWNTP-MISYRCLQSA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636810 1373094294 /nfs/dbraw/zinc/09/42/94/1373094294.db2.gz RYAISFADBVIWAD-WSTZPKSXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780267 1373117982 /nfs/dbraw/zinc/11/79/82/1373117982.db2.gz SCCANSHKJMHRGR-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001215973032 1373252623 /nfs/dbraw/zinc/25/26/23/1373252623.db2.gz MGBSUUGMOHJIMX-GUDVDZBRSA-N 2 1 337.552 3.290 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105853 1375149832 /nfs/dbraw/zinc/14/98/32/1375149832.db2.gz NSHVJKRODQHIMJ-ROUUACIJSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691619 1377185465 /nfs/dbraw/zinc/18/54/65/1377185465.db2.gz XREIHGGXIWWWHI-QZTJIDSGSA-N 2 1 325.541 3.338 20 30 EGEDMP C=CCc1cccc(C[NH+]2CCC([N@H+](CC)[C@@H]3CCOC3)CC2)c1O ZINC001138627594 1377756959 /nfs/dbraw/zinc/75/69/59/1377756959.db2.gz BECKWKDUFGRJJU-HXUWFJFHSA-N 2 1 344.499 3.196 20 30 EGEDMP C=CCc1cccc(C[NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)c1O ZINC001138627594 1377756961 /nfs/dbraw/zinc/75/69/61/1377756961.db2.gz BECKWKDUFGRJJU-HXUWFJFHSA-N 2 1 344.499 3.196 20 30 EGEDMP C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405847 1377880006 /nfs/dbraw/zinc/88/00/06/1377880006.db2.gz CYBSINFVTMQJQQ-CTNGQTDRSA-N 2 1 332.451 3.146 20 30 EGEDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405847 1377880010 /nfs/dbraw/zinc/88/00/10/1377880010.db2.gz CYBSINFVTMQJQQ-CTNGQTDRSA-N 2 1 332.451 3.146 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033715 1380186929 /nfs/dbraw/zinc/18/69/29/1380186929.db2.gz KLMPVVHLPQCXMH-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033715 1380186930 /nfs/dbraw/zinc/18/69/30/1380186930.db2.gz KLMPVVHLPQCXMH-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033715 1380186931 /nfs/dbraw/zinc/18/69/31/1380186931.db2.gz KLMPVVHLPQCXMH-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001155883920 1380502429 /nfs/dbraw/zinc/50/24/29/1380502429.db2.gz QNCPLIRBMYLOBW-MSOLQXFVSA-N 2 1 325.541 3.146 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137990 1380784442 /nfs/dbraw/zinc/78/44/42/1380784442.db2.gz KOKJGSNAAUHVQE-QGZVFWFLSA-N 2 1 331.504 3.155 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157951322 1381080043 /nfs/dbraw/zinc/08/00/43/1381080043.db2.gz UIKCNYOETKXAGD-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951322 1381080050 /nfs/dbraw/zinc/08/00/50/1381080050.db2.gz UIKCNYOETKXAGD-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951322 1381080055 /nfs/dbraw/zinc/08/00/55/1381080055.db2.gz UIKCNYOETKXAGD-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001158356961 1381215780 /nfs/dbraw/zinc/21/57/80/1381215780.db2.gz XSICHEQGSJBNNA-QGZVFWFLSA-N 2 1 336.524 3.463 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001158549837 1381294324 /nfs/dbraw/zinc/29/43/24/1381294324.db2.gz LZPKIFLYQKUGBR-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160286680 1382062122 /nfs/dbraw/zinc/06/21/22/1382062122.db2.gz WAFFCOODMUOVOE-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160286680 1382062127 /nfs/dbraw/zinc/06/21/27/1382062127.db2.gz WAFFCOODMUOVOE-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160286680 1382062134 /nfs/dbraw/zinc/06/21/34/1382062134.db2.gz WAFFCOODMUOVOE-QUCCMNQESA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400455 1382094469 /nfs/dbraw/zinc/09/44/69/1382094469.db2.gz RLALXRRWLFJIDU-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400455 1382094475 /nfs/dbraw/zinc/09/44/75/1382094475.db2.gz RLALXRRWLFJIDU-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001160400455 1382094479 /nfs/dbraw/zinc/09/44/79/1382094479.db2.gz RLALXRRWLFJIDU-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406278 1382095671 /nfs/dbraw/zinc/09/56/71/1382095671.db2.gz MSHNVMIKGZSDMG-FQEVSTJZSA-N 2 1 349.563 3.457 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553940 1382438775 /nfs/dbraw/zinc/43/87/75/1382438775.db2.gz KBWWHGKWMIITRB-IBGZPJMESA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947081 1382566076 /nfs/dbraw/zinc/56/60/76/1382566076.db2.gz WWHJWBOLVQKKNO-LJQANCHMSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472322 1383300035 /nfs/dbraw/zinc/30/00/35/1383300035.db2.gz KUUMMXWVZYATIY-RTBURBONSA-N 2 1 349.563 3.195 20 30 EGEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387381 1383891572 /nfs/dbraw/zinc/89/15/72/1383891572.db2.gz GLMSFWUFLMSRDA-FQEVSTJZSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccccc1O[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387381 1383891577 /nfs/dbraw/zinc/89/15/77/1383891577.db2.gz GLMSFWUFLMSRDA-FQEVSTJZSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(O[C@@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168394727 1383894726 /nfs/dbraw/zinc/89/47/26/1383894726.db2.gz DSOUWKDOSPLMCA-OAQYLSRUSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(O[C@@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC001168394727 1383894731 /nfs/dbraw/zinc/89/47/31/1383894731.db2.gz DSOUWKDOSPLMCA-OAQYLSRUSA-N 2 1 339.483 3.276 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001170878030 1384403349 /nfs/dbraw/zinc/40/33/49/1384403349.db2.gz JWULFSHQVAHGOD-IAGOWNOFSA-N 2 1 334.508 3.237 20 30 EGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c[nH+]c(C)cc2c1 ZINC001171074646 1384441607 /nfs/dbraw/zinc/44/16/07/1384441607.db2.gz FIUXNRQWWYJSLA-SFHVURJKSA-N 2 1 327.428 3.182 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001172319977 1384769149 /nfs/dbraw/zinc/76/91/49/1384769149.db2.gz SNOHEHOSJQPIRT-INIZCTEOSA-N 2 1 329.463 3.388 20 30 EGEDMP COc1ccccc1C1([NH3+])CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173333506 1384960797 /nfs/dbraw/zinc/96/07/97/1384960797.db2.gz NQYKHDGXTDDFQM-UHFFFAOYSA-N 2 1 327.472 3.417 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001176754139 1385684380 /nfs/dbraw/zinc/68/43/80/1385684380.db2.gz RLOQWZXKBZKQOM-SFHVURJKSA-N 2 1 325.541 3.338 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C(C)(C)[N@H+](C)CC ZINC001177353293 1385926210 /nfs/dbraw/zinc/92/62/10/1385926210.db2.gz XGIZIUMBYBPEJE-UHFFFAOYSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177415783 1385948890 /nfs/dbraw/zinc/94/88/90/1385948890.db2.gz LJYZBZFGBRBUFF-IBGZPJMESA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177478093 1385972024 /nfs/dbraw/zinc/97/20/24/1385972024.db2.gz RXZVGYOITLKOIZ-AZUAARDMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)C1CC1 ZINC001319369722 1386085477 /nfs/dbraw/zinc/08/54/77/1386085477.db2.gz NQWTZQRKVXKJEE-OAQYLSRUSA-N 2 1 327.516 3.268 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178693209 1386280044 /nfs/dbraw/zinc/28/00/44/1386280044.db2.gz LEHSQHTXDMITRK-IBGZPJMESA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178815685 1386315670 /nfs/dbraw/zinc/31/56/70/1386315670.db2.gz JXDVLDSSMRXGPD-IRXDYDNUSA-N 2 1 341.927 3.022 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178853696 1386329496 /nfs/dbraw/zinc/32/94/96/1386329496.db2.gz OMOMEOMLPWSLFR-KRWDZBQOSA-N 2 1 325.541 3.338 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788257 1386585808 /nfs/dbraw/zinc/58/58/08/1386585808.db2.gz SMKLGHNHJLIXAH-IAGOWNOFSA-N 2 1 341.927 3.022 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H]1C ZINC001180020737 1386671099 /nfs/dbraw/zinc/67/10/99/1386671099.db2.gz PGTAPNFJVMJYOF-BJLQDIEVSA-N 2 1 335.536 3.022 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346202 1387154244 /nfs/dbraw/zinc/15/42/44/1387154244.db2.gz LYXDIEVYUNYQSQ-SFHLNBCPSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182807596 1387228179 /nfs/dbraw/zinc/22/81/79/1387228179.db2.gz VFILVSRNYOGYED-SVFBPWRDSA-N 2 1 349.563 3.290 20 30 EGEDMP CC[N@@H+](CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC001336783057 1389168075 /nfs/dbraw/zinc/16/80/75/1389168075.db2.gz FKARBHQQYYEDBI-HXUWFJFHSA-N 2 1 329.488 3.226 20 30 EGEDMP C=CCCC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001752302113 1440167879 /nfs/dbraw/zinc/16/78/79/1440167879.db2.gz YIALUKGNZAOWTO-QGZVFWFLSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001752564641 1440195287 /nfs/dbraw/zinc/19/52/87/1440195287.db2.gz GZQFLCMVTLZSNN-OKZBNKHCSA-N 2 1 344.503 3.036 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001752564641 1440195288 /nfs/dbraw/zinc/19/52/88/1440195288.db2.gz GZQFLCMVTLZSNN-OKZBNKHCSA-N 2 1 344.503 3.036 20 30 EGEDMP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001752853503 1440234246 /nfs/dbraw/zinc/23/42/46/1440234246.db2.gz IGRDTUZUEGMYBO-VCAKUFKGSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753336024 1440372370 /nfs/dbraw/zinc/37/23/70/1440372370.db2.gz YJTJNLHVFGQLMB-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001753444898 1440403410 /nfs/dbraw/zinc/40/34/10/1440403410.db2.gz AUHSXHJRJBKCHE-IBGZPJMESA-N 2 1 337.552 3.221 20 30 EGEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001753573328 1440438859 /nfs/dbraw/zinc/43/88/59/1440438859.db2.gz RYJBCPDPEZOPBT-FQEVSTJZSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001754722513 1440673981 /nfs/dbraw/zinc/67/39/81/1440673981.db2.gz ZECKQCZYOMVBPO-HDICACEKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001755720459 1440907004 /nfs/dbraw/zinc/90/70/04/1440907004.db2.gz HWOSHGQXXWSJNZ-HKUYNNGSSA-N 2 1 335.536 3.042 20 30 EGEDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000178695087 232385174 /nfs/dbraw/zinc/38/51/74/232385174.db2.gz OSCIRKOTKMXPRL-HNNXBMFYSA-N 2 1 335.455 3.285 20 30 EGEDMP C=CCN1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272700883 201258157 /nfs/dbraw/zinc/25/81/57/201258157.db2.gz YOXNPDGKLOUXLL-ICSRJNTNSA-N 2 1 327.516 3.137 20 30 EGEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000345868049 164283616 /nfs/dbraw/zinc/28/36/16/164283616.db2.gz FCDFPMFIPWDTSD-UHFFFAOYSA-N 2 1 333.451 3.020 20 30 EGEDMP CC[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544296 267194671 /nfs/dbraw/zinc/19/46/71/267194671.db2.gz UDAKPKGXGCGNKI-FGZHOGPDSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544296 267194679 /nfs/dbraw/zinc/19/46/79/267194679.db2.gz UDAKPKGXGCGNKI-FGZHOGPDSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544296 267194681 /nfs/dbraw/zinc/19/46/81/267194681.db2.gz UDAKPKGXGCGNKI-FGZHOGPDSA-N 2 1 349.478 3.236 20 30 EGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000404574686 268072706 /nfs/dbraw/zinc/07/27/06/268072706.db2.gz NJKGJTFNTJFFMB-UHFFFAOYSA-N 2 1 337.442 3.494 20 30 EGEDMP N#Cc1ccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000269391986 268074505 /nfs/dbraw/zinc/07/45/05/268074505.db2.gz DBQWSAZLDMXWLM-IBGZPJMESA-N 2 1 337.442 3.352 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000269391986 268074506 /nfs/dbraw/zinc/07/45/06/268074506.db2.gz DBQWSAZLDMXWLM-IBGZPJMESA-N 2 1 337.442 3.352 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(F)c1 ZINC000269391986 268074508 /nfs/dbraw/zinc/07/45/08/268074508.db2.gz DBQWSAZLDMXWLM-IBGZPJMESA-N 2 1 337.442 3.352 20 30 EGEDMP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1ccccc1 ZINC000191464684 455487647 /nfs/dbraw/zinc/48/76/47/455487647.db2.gz RUSHUNDDLWSBMJ-UHFFFAOYSA-N 2 1 329.532 3.133 20 30 EGEDMP N#CCCCOc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000171246382 455050199 /nfs/dbraw/zinc/05/01/99/455050199.db2.gz GXGHKPHZHLWUDU-UHFFFAOYSA-N 2 1 327.472 3.333 20 30 EGEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 ZINC000171306897 455060713 /nfs/dbraw/zinc/06/07/13/455060713.db2.gz JPBSFKDGHYITFZ-HOTGVXAUSA-N 2 1 345.462 3.019 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000246322064 455470728 /nfs/dbraw/zinc/47/07/28/455470728.db2.gz XCEZEMIGKVXUJI-GHTZIAJQSA-N 2 1 327.516 3.452 20 30 EGEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247930235 455656171 /nfs/dbraw/zinc/65/61/71/455656171.db2.gz BXVXQYQLFPDFDS-PCCBWWKXSA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247930235 455656178 /nfs/dbraw/zinc/65/61/78/455656178.db2.gz BXVXQYQLFPDFDS-PCCBWWKXSA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247930235 455656181 /nfs/dbraw/zinc/65/61/81/455656181.db2.gz BXVXQYQLFPDFDS-PCCBWWKXSA-N 2 1 328.500 3.300 20 30 EGEDMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278791615 455848245 /nfs/dbraw/zinc/84/82/45/455848245.db2.gz QLPKJGBHCDYPOK-QKLQHJQFSA-N 2 1 329.488 3.488 20 30 EGEDMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000281574022 456268601 /nfs/dbraw/zinc/26/86/01/456268601.db2.gz CTRYRLHVGVWJLW-MAUKXSAKSA-N 2 1 327.472 3.309 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304473203 456515679 /nfs/dbraw/zinc/51/56/79/456515679.db2.gz FXHNCJVHBOUESQ-AEFFLSMTSA-N 2 1 344.503 3.069 20 30 EGEDMP COc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1OCCCC#N ZINC000299461555 456699981 /nfs/dbraw/zinc/69/99/81/456699981.db2.gz ZGNJJPMYFWIONW-UHFFFAOYSA-N 2 1 345.487 3.343 20 30 EGEDMP C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000344641781 456843133 /nfs/dbraw/zinc/84/31/33/456843133.db2.gz RMLLPGVPENBLCL-VQIMIIECSA-N 2 1 337.471 3.036 20 30 EGEDMP CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)[C@@H]1CCCN1C1CC1)C2 ZINC000330204001 457002859 /nfs/dbraw/zinc/00/28/59/457002859.db2.gz BGXBRHQLJSVPEF-ZFWWWQNUSA-N 2 1 330.476 3.079 20 30 EGEDMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424141103 458569534 /nfs/dbraw/zinc/56/95/34/458569534.db2.gz WTTHKRFGTJUQQA-QGZVFWFLSA-N 2 1 339.443 3.014 20 30 EGEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000424298160 458607916 /nfs/dbraw/zinc/60/79/16/458607916.db2.gz SBLGHMRKVZCZHX-QSUVIHHLSA-N 2 1 326.484 3.078 20 30 EGEDMP N#CCCC[C@@H]([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000424337041 458619084 /nfs/dbraw/zinc/61/90/84/458619084.db2.gz KMHQSPOBQAXXGK-QGZVFWFLSA-N 2 1 339.443 3.416 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598612748 459963606 /nfs/dbraw/zinc/96/36/06/459963606.db2.gz SCKSSFUHUVGKBR-KVPLUYHFSA-N 2 1 343.515 3.033 20 30 EGEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1cccs1 ZINC000598718886 460004955 /nfs/dbraw/zinc/00/49/55/460004955.db2.gz HKNAAEXFVUICLS-INMHGKMJSA-N 2 1 335.517 3.021 20 30 EGEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1cccs1 ZINC000598718886 460004964 /nfs/dbraw/zinc/00/49/64/460004964.db2.gz HKNAAEXFVUICLS-INMHGKMJSA-N 2 1 335.517 3.021 20 30 EGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611392805 460353708 /nfs/dbraw/zinc/35/37/08/460353708.db2.gz MRGVCAMMCIBFIY-FPOVZHCZSA-N 2 1 339.483 3.169 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](CC)CC2)cc1OC ZINC000623341138 460498050 /nfs/dbraw/zinc/49/80/50/460498050.db2.gz OTODTSAWBGFUBP-UHFFFAOYSA-N 2 1 338.879 3.487 20 30 EGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000120805120 1293340332 /nfs/dbraw/zinc/34/03/32/1293340332.db2.gz PERBMMLOXQZHBK-HKUYNNGSSA-N 2 1 329.488 3.435 20 30 EGEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160726415 1294276311 /nfs/dbraw/zinc/27/63/11/1294276311.db2.gz XOEVGIMMWSHWAQ-GFCCVEGCSA-N 2 1 344.381 3.186 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N1CCC(C)CC1 ZINC000262454606 1296632144 /nfs/dbraw/zinc/63/21/44/1296632144.db2.gz WOADJUBMXMEIMZ-WMZOPIPTSA-N 2 1 348.560 3.438 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)cc1Cl ZINC000303780784 1296853883 /nfs/dbraw/zinc/85/38/83/1296853883.db2.gz LQFGBCDQQILAFQ-CYBMUJFWSA-N 2 1 338.883 3.340 20 30 EGEDMP CC(C)CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000303898512 1296873528 /nfs/dbraw/zinc/87/35/28/1296873528.db2.gz QZWOLSUGWIKVMR-KRWDZBQOSA-N 2 1 330.520 3.369 20 30 EGEDMP COc1ccccc1[C@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCCC1 ZINC000303909265 1296881269 /nfs/dbraw/zinc/88/12/69/1296881269.db2.gz YBDXRJBUJQMKGJ-SFHVURJKSA-N 2 1 344.503 3.023 20 30 EGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000305201971 1296997175 /nfs/dbraw/zinc/99/71/75/1296997175.db2.gz NBEGYUXACUYUOF-IBGZPJMESA-N 2 1 330.520 3.062 20 30 EGEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cccc(C#N)n3)cc2)CC1 ZINC000876866321 1299041719 /nfs/dbraw/zinc/04/17/19/1299041719.db2.gz CYSCBZZQLZKDIN-UHFFFAOYSA-N 2 1 349.482 3.343 20 30 EGEDMP C#C[C@@H](C)[NH+](C)Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)C#C ZINC000769978356 1303200955 /nfs/dbraw/zinc/20/09/55/1303200955.db2.gz XEMAHAIJZKVKJC-LSDHHAIUSA-N 2 1 347.300 3.356 20 30 EGEDMP C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1C[NH+](C)[C@@H](C)C#C ZINC000769978356 1303200962 /nfs/dbraw/zinc/20/09/62/1303200962.db2.gz XEMAHAIJZKVKJC-LSDHHAIUSA-N 2 1 347.300 3.356 20 30 EGEDMP C#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1C[NH+](C)[C@@H](C)C#C ZINC000769978356 1303200968 /nfs/dbraw/zinc/20/09/68/1303200968.db2.gz XEMAHAIJZKVKJC-LSDHHAIUSA-N 2 1 347.300 3.356 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1OC ZINC000895290038 1309272429 /nfs/dbraw/zinc/27/24/29/1309272429.db2.gz BVVQIYUPXNCDEC-ZDUSSCGKSA-N 2 1 326.868 3.343 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602851 1317492043 /nfs/dbraw/zinc/49/20/43/1317492043.db2.gz IMKLZSOVORTPIG-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647586 1317519450 /nfs/dbraw/zinc/51/94/50/1317519450.db2.gz ODIXWSQAIXFCSG-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454300 1319558167 /nfs/dbraw/zinc/55/81/67/1319558167.db2.gz RIKCXHAGZSPSTP-KRWDZBQOSA-N 2 1 340.471 3.051 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632949 1319754290 /nfs/dbraw/zinc/75/42/90/1319754290.db2.gz SDAAECJBNNAXFJ-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632949 1319754295 /nfs/dbraw/zinc/75/42/95/1319754295.db2.gz SDAAECJBNNAXFJ-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632949 1319754299 /nfs/dbraw/zinc/75/42/99/1319754299.db2.gz SDAAECJBNNAXFJ-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(O)c(OC)c1 ZINC000840085933 1321024197 /nfs/dbraw/zinc/02/41/97/1321024197.db2.gz IUVQSIKURKDJKE-FQEVSTJZSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(O)c(OC)c1 ZINC000840085933 1321024205 /nfs/dbraw/zinc/02/42/05/1321024205.db2.gz IUVQSIKURKDJKE-FQEVSTJZSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(O)c(OC)c1 ZINC000840085933 1321024208 /nfs/dbraw/zinc/02/42/08/1321024208.db2.gz IUVQSIKURKDJKE-FQEVSTJZSA-N 2 1 330.472 3.047 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093561 1323278525 /nfs/dbraw/zinc/27/85/25/1323278525.db2.gz MXXVPMVACFRWFS-VQIMIIECSA-N 2 1 327.472 3.189 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024615526 1323542978 /nfs/dbraw/zinc/54/29/78/1323542978.db2.gz USZBFQKXAMCWCO-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615526 1323542981 /nfs/dbraw/zinc/54/29/81/1323542981.db2.gz USZBFQKXAMCWCO-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024615526 1323542986 /nfs/dbraw/zinc/54/29/86/1323542986.db2.gz USZBFQKXAMCWCO-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241564 1324036673 /nfs/dbraw/zinc/03/66/73/1324036673.db2.gz YNAKGCFXLPSVBF-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241564 1324036677 /nfs/dbraw/zinc/03/66/77/1324036677.db2.gz YNAKGCFXLPSVBF-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241564 1324036682 /nfs/dbraw/zinc/03/66/82/1324036682.db2.gz YNAKGCFXLPSVBF-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586071 1324427229 /nfs/dbraw/zinc/42/72/29/1324427229.db2.gz VRPFVJSJNTYKRM-ICSRJNTNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881935 1333289720 /nfs/dbraw/zinc/28/97/20/1333289720.db2.gz LNEJCZCDZGUDHR-MJGOQNOKSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364190 1333495505 /nfs/dbraw/zinc/49/55/05/1333495505.db2.gz CEOWRQLPCMAARS-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364190 1333495509 /nfs/dbraw/zinc/49/55/09/1333495509.db2.gz CEOWRQLPCMAARS-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364190 1333495512 /nfs/dbraw/zinc/49/55/12/1333495512.db2.gz CEOWRQLPCMAARS-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829815 1333702005 /nfs/dbraw/zinc/70/20/05/1333702005.db2.gz WXTLRDBEPUEIMX-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829815 1333702006 /nfs/dbraw/zinc/70/20/06/1333702006.db2.gz WXTLRDBEPUEIMX-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829815 1333702007 /nfs/dbraw/zinc/70/20/07/1333702007.db2.gz WXTLRDBEPUEIMX-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968925449 1336091582 /nfs/dbraw/zinc/09/15/82/1336091582.db2.gz DPSJKEQQBDCTAO-KRWDZBQOSA-N 2 1 340.471 3.193 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034437075 1342499224 /nfs/dbraw/zinc/49/92/24/1342499224.db2.gz DMNGFUKQCWNEQW-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437075 1342499226 /nfs/dbraw/zinc/49/92/26/1342499226.db2.gz DMNGFUKQCWNEQW-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437075 1342499228 /nfs/dbraw/zinc/49/92/28/1342499228.db2.gz DMNGFUKQCWNEQW-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034542826 1342602276 /nfs/dbraw/zinc/60/22/76/1342602276.db2.gz BKGAIMIEUZCMSC-LJQANCHMSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035212913 1343031957 /nfs/dbraw/zinc/03/19/57/1343031957.db2.gz AZHYQMTZFHTQPR-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755226 1343677608 /nfs/dbraw/zinc/67/76/08/1343677608.db2.gz SPDJXAPXLMCPNC-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755226 1343677609 /nfs/dbraw/zinc/67/76/09/1343677609.db2.gz SPDJXAPXLMCPNC-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755226 1343677610 /nfs/dbraw/zinc/67/76/10/1343677610.db2.gz SPDJXAPXLMCPNC-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377373 1345034352 /nfs/dbraw/zinc/03/43/52/1345034352.db2.gz UOQRTTWDAFNDOC-KSZLIROESA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039377373 1345034354 /nfs/dbraw/zinc/03/43/54/1345034354.db2.gz UOQRTTWDAFNDOC-KSZLIROESA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474311 1345089162 /nfs/dbraw/zinc/08/91/62/1345089162.db2.gz AXUNATURJNGCJS-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545602 1345540260 /nfs/dbraw/zinc/54/02/60/1345540260.db2.gz RRZRAYSPZLVQDO-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545602 1345540261 /nfs/dbraw/zinc/54/02/61/1345540261.db2.gz RRZRAYSPZLVQDO-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545602 1345540263 /nfs/dbraw/zinc/54/02/63/1345540263.db2.gz RRZRAYSPZLVQDO-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045937795 1346774551 /nfs/dbraw/zinc/77/45/51/1346774551.db2.gz KPJJEHJGKXVSAX-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045937795 1346774553 /nfs/dbraw/zinc/77/45/53/1346774553.db2.gz KPJJEHJGKXVSAX-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045937795 1346774554 /nfs/dbraw/zinc/77/45/54/1346774554.db2.gz KPJJEHJGKXVSAX-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001045942800 1346778680 /nfs/dbraw/zinc/77/86/80/1346778680.db2.gz ZYBWFDDZFXLMQR-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001048528210 1347578920 /nfs/dbraw/zinc/57/89/20/1347578920.db2.gz ZTMXQHYHWKHADN-YRPNKDGESA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048528210 1347578922 /nfs/dbraw/zinc/57/89/22/1347578922.db2.gz ZTMXQHYHWKHADN-YRPNKDGESA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048528210 1347578926 /nfs/dbraw/zinc/57/89/26/1347578926.db2.gz ZTMXQHYHWKHADN-YRPNKDGESA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381872 1348537377 /nfs/dbraw/zinc/53/73/77/1348537377.db2.gz ZRGCKFGBHIBBDN-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381872 1348537380 /nfs/dbraw/zinc/53/73/80/1348537380.db2.gz ZRGCKFGBHIBBDN-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381872 1348537383 /nfs/dbraw/zinc/53/73/83/1348537383.db2.gz ZRGCKFGBHIBBDN-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267125 1349263457 /nfs/dbraw/zinc/26/34/57/1349263457.db2.gz ARIBYSSYSIGXHN-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267125 1349263458 /nfs/dbraw/zinc/26/34/58/1349263458.db2.gz ARIBYSSYSIGXHN-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267125 1349263460 /nfs/dbraw/zinc/26/34/60/1349263460.db2.gz ARIBYSSYSIGXHN-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602526 1359550263 /nfs/dbraw/zinc/55/02/63/1359550263.db2.gz SYAJZVYLPJRVSE-GBESFXJTSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602526 1359550271 /nfs/dbraw/zinc/55/02/71/1359550271.db2.gz SYAJZVYLPJRVSE-GBESFXJTSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602526 1359550273 /nfs/dbraw/zinc/55/02/73/1359550273.db2.gz SYAJZVYLPJRVSE-GBESFXJTSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636454 1359565860 /nfs/dbraw/zinc/56/58/60/1359565860.db2.gz QWIGRYLPWPUKBZ-OTWHNJEPSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636454 1359565865 /nfs/dbraw/zinc/56/58/65/1359565865.db2.gz QWIGRYLPWPUKBZ-OTWHNJEPSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1CC ZINC001087636454 1359565868 /nfs/dbraw/zinc/56/58/68/1359565868.db2.gz QWIGRYLPWPUKBZ-OTWHNJEPSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510641 1360482082 /nfs/dbraw/zinc/48/20/82/1360482082.db2.gz ZHEZOHXTFDZSTE-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664145 1360574512 /nfs/dbraw/zinc/57/45/12/1360574512.db2.gz CRDSAKQHRCUINX-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684032 1360589747 /nfs/dbraw/zinc/58/97/47/1360589747.db2.gz MTXMOLBILMFDFG-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684032 1360589748 /nfs/dbraw/zinc/58/97/48/1360589748.db2.gz MTXMOLBILMFDFG-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684032 1360589751 /nfs/dbraw/zinc/58/97/51/1360589751.db2.gz MTXMOLBILMFDFG-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687075 1360593186 /nfs/dbraw/zinc/59/31/86/1360593186.db2.gz DWLFVHWNHPWCSD-KRWDZBQOSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687075 1360593187 /nfs/dbraw/zinc/59/31/87/1360593187.db2.gz DWLFVHWNHPWCSD-KRWDZBQOSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717762 1360618964 /nfs/dbraw/zinc/61/89/64/1360618964.db2.gz DLKHBOOLIIKOMR-LJQANCHMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497418 1361830386 /nfs/dbraw/zinc/83/03/86/1361830386.db2.gz WVMXDWCIMBXAOY-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497418 1361830390 /nfs/dbraw/zinc/83/03/90/1361830390.db2.gz WVMXDWCIMBXAOY-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497418 1361830394 /nfs/dbraw/zinc/83/03/94/1361830394.db2.gz WVMXDWCIMBXAOY-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001184891409 1387555903 /nfs/dbraw/zinc/55/59/03/1387555903.db2.gz FYUUSDZYSUFAGS-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098460071 1363332002 /nfs/dbraw/zinc/33/20/02/1363332002.db2.gz YSLMHHATHJHELS-AQNXPRMDSA-N 2 1 341.499 3.050 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001099153974 1363660024 /nfs/dbraw/zinc/66/00/24/1363660024.db2.gz RJRHMYCCMNCDJM-OALUTQOASA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257181 1363717014 /nfs/dbraw/zinc/71/70/14/1363717014.db2.gz BTJXZNAGXAFXCX-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCCCCC ZINC001099270426 1363725171 /nfs/dbraw/zinc/72/51/71/1363725171.db2.gz LWYMIUYJUFYGRC-IBGZPJMESA-N 2 1 349.563 3.129 20 30 EGEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099270426 1363725173 /nfs/dbraw/zinc/72/51/73/1363725173.db2.gz LWYMIUYJUFYGRC-IBGZPJMESA-N 2 1 349.563 3.129 20 30 EGEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099270426 1363725176 /nfs/dbraw/zinc/72/51/76/1363725176.db2.gz LWYMIUYJUFYGRC-IBGZPJMESA-N 2 1 349.563 3.129 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099371818 1363777382 /nfs/dbraw/zinc/77/73/82/1363777382.db2.gz JKKOYLJUMIRRJY-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100602189 1364184666 /nfs/dbraw/zinc/18/46/66/1364184666.db2.gz XLBUERUCTKJVQY-AFMYVXGZSA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430015 1364559767 /nfs/dbraw/zinc/55/97/67/1364559767.db2.gz KOHGMCRKWUBHAU-SBHAEUEKSA-N 2 1 349.563 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101430015 1364559771 /nfs/dbraw/zinc/55/97/71/1364559771.db2.gz KOHGMCRKWUBHAU-SBHAEUEKSA-N 2 1 349.563 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101430015 1364559774 /nfs/dbraw/zinc/55/97/74/1364559774.db2.gz KOHGMCRKWUBHAU-SBHAEUEKSA-N 2 1 349.563 3.079 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001101544470 1364609343 /nfs/dbraw/zinc/60/93/43/1364609343.db2.gz AKHHIVFSGVIEMD-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071275 1364836992 /nfs/dbraw/zinc/83/69/92/1364836992.db2.gz ISBISNROOLNUSU-QRVBRYPASA-N 2 1 337.552 3.003 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102089229 1364849226 /nfs/dbraw/zinc/84/92/26/1364849226.db2.gz IRDYPZAIZZELFD-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102089229 1364849231 /nfs/dbraw/zinc/84/92/31/1364849231.db2.gz IRDYPZAIZZELFD-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102089229 1364849236 /nfs/dbraw/zinc/84/92/36/1364849236.db2.gz IRDYPZAIZZELFD-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102104382 1364858878 /nfs/dbraw/zinc/85/88/78/1364858878.db2.gz SSSCTEDCJIBQNA-QZTJIDSGSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104382 1364858880 /nfs/dbraw/zinc/85/88/80/1364858880.db2.gz SSSCTEDCJIBQNA-QZTJIDSGSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102104382 1364858883 /nfs/dbraw/zinc/85/88/83/1364858883.db2.gz SSSCTEDCJIBQNA-QZTJIDSGSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472204 1365073667 /nfs/dbraw/zinc/07/36/67/1365073667.db2.gz OJAJGIWHCUNHHX-GUDVDZBRSA-N 2 1 337.552 3.003 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102471996 1365074031 /nfs/dbraw/zinc/07/40/31/1365074031.db2.gz BFKKMCYZSZQHLC-GUDVDZBRSA-N 2 1 337.552 3.003 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001185447328 1387719481 /nfs/dbraw/zinc/71/94/81/1387719481.db2.gz ROLQGXITWYLGGJ-MOPGFXCFSA-N 2 1 339.568 3.373 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601693 1365131384 /nfs/dbraw/zinc/13/13/84/1365131384.db2.gz MJSXHIXXMLPNFS-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359357 1365517408 /nfs/dbraw/zinc/51/74/08/1365517408.db2.gz WLBMEAAUJOJLHJ-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359357 1365517411 /nfs/dbraw/zinc/51/74/11/1365517411.db2.gz WLBMEAAUJOJLHJ-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359357 1365517414 /nfs/dbraw/zinc/51/74/14/1365517414.db2.gz WLBMEAAUJOJLHJ-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497456 1365597719 /nfs/dbraw/zinc/59/77/19/1365597719.db2.gz HEGDITYZSAUXEY-WSTZPKSXSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001103757090 1365766705 /nfs/dbraw/zinc/76/67/05/1365766705.db2.gz LRIBSRHBWNOPLD-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210874 1365952605 /nfs/dbraw/zinc/95/26/05/1365952605.db2.gz GOIBXCJXJNVWDN-UAFMIMERSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422398 1366018495 /nfs/dbraw/zinc/01/84/95/1366018495.db2.gz PCIVSCOQGFUWNG-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104680746 1366129387 /nfs/dbraw/zinc/12/93/87/1366129387.db2.gz WUKUPCVXMUTXEQ-XUVXKRRUSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682107 1366130019 /nfs/dbraw/zinc/13/00/19/1366130019.db2.gz BGLSBHBHMNYHJC-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013804 1366274440 /nfs/dbraw/zinc/27/44/40/1366274440.db2.gz UZTDBKFFBCEFEM-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572338 1366538620 /nfs/dbraw/zinc/53/86/20/1366538620.db2.gz OQQCWNSLJKTXEX-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293983 1367043652 /nfs/dbraw/zinc/04/36/52/1367043652.db2.gz JRAJVMNUHUVKOU-ZRNYENFQSA-N 2 1 347.547 3.020 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001107646688 1367092177 /nfs/dbraw/zinc/09/21/77/1367092177.db2.gz QJHVELIBXSFTGF-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001107646688 1367092183 /nfs/dbraw/zinc/09/21/83/1367092183.db2.gz QJHVELIBXSFTGF-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001107646688 1367092186 /nfs/dbraw/zinc/09/21/86/1367092186.db2.gz QJHVELIBXSFTGF-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773130 1367315036 /nfs/dbraw/zinc/31/50/36/1367315036.db2.gz HEEJQSZZJUMWNG-BDXSIMOUSA-N 2 1 344.503 3.083 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001109773130 1367315039 /nfs/dbraw/zinc/31/50/39/1367315039.db2.gz HEEJQSZZJUMWNG-BDXSIMOUSA-N 2 1 344.503 3.083 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190996717 1367398862 /nfs/dbraw/zinc/39/88/62/1367398862.db2.gz IHLVSEGOKIGZKT-QGZVFWFLSA-N 2 1 325.541 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001190996717 1367398866 /nfs/dbraw/zinc/39/88/66/1367398866.db2.gz IHLVSEGOKIGZKT-QGZVFWFLSA-N 2 1 325.541 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190996717 1367398869 /nfs/dbraw/zinc/39/88/69/1367398869.db2.gz IHLVSEGOKIGZKT-QGZVFWFLSA-N 2 1 325.541 3.220 20 30 EGEDMP CCCCCCCCNC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001191053052 1367412759 /nfs/dbraw/zinc/41/27/59/1367412759.db2.gz ZCMMELBOTXTRGJ-UHFFFAOYSA-N 2 1 347.507 3.315 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191082192 1367420697 /nfs/dbraw/zinc/42/06/97/1367420697.db2.gz VJHZIJSJFYEQOH-MAUKXSAKSA-N 2 1 340.471 3.144 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108803314 1367605342 /nfs/dbraw/zinc/60/53/42/1367605342.db2.gz AGVRTLDWJPKNEM-OTWHNJEPSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423555 1368025050 /nfs/dbraw/zinc/02/50/50/1368025050.db2.gz CKRDOWJUTZOSRW-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423555 1368025056 /nfs/dbraw/zinc/02/50/56/1368025056.db2.gz CKRDOWJUTZOSRW-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423555 1368025062 /nfs/dbraw/zinc/02/50/62/1368025062.db2.gz CKRDOWJUTZOSRW-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424663 1368027117 /nfs/dbraw/zinc/02/71/17/1368027117.db2.gz OTEFMUGPLWXAMK-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424663 1368027123 /nfs/dbraw/zinc/02/71/23/1368027123.db2.gz OTEFMUGPLWXAMK-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424663 1368027129 /nfs/dbraw/zinc/02/71/29/1368027129.db2.gz OTEFMUGPLWXAMK-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396758 1368805694 /nfs/dbraw/zinc/80/56/94/1368805694.db2.gz NCHFPUNMBQBCSM-UXHICEINSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396758 1368805699 /nfs/dbraw/zinc/80/56/99/1368805699.db2.gz NCHFPUNMBQBCSM-UXHICEINSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396758 1368805703 /nfs/dbraw/zinc/80/57/03/1368805703.db2.gz NCHFPUNMBQBCSM-UXHICEINSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112397216 1368822283 /nfs/dbraw/zinc/82/22/83/1368822283.db2.gz XGPMZLJVNSJSCV-ZVDOUQERSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540398 1368920344 /nfs/dbraw/zinc/92/03/44/1368920344.db2.gz UZQLFGHEEPWUBH-ZJOUEHCJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259911 1368991857 /nfs/dbraw/zinc/99/18/57/1368991857.db2.gz UEZNXDLAKDHICH-AZUAARDMSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259911 1368991864 /nfs/dbraw/zinc/99/18/64/1368991864.db2.gz UEZNXDLAKDHICH-AZUAARDMSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001186604694 1387983814 /nfs/dbraw/zinc/98/38/14/1387983814.db2.gz GTQNMZRSSXKTJY-IBGZPJMESA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186604694 1387983817 /nfs/dbraw/zinc/98/38/17/1387983817.db2.gz GTQNMZRSSXKTJY-IBGZPJMESA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186604694 1387983821 /nfs/dbraw/zinc/98/38/21/1387983821.db2.gz GTQNMZRSSXKTJY-IBGZPJMESA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441688 1369431348 /nfs/dbraw/zinc/43/13/48/1369431348.db2.gz NLPLHACUXWOOTK-LJQANCHMSA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103806 1369984003 /nfs/dbraw/zinc/98/40/03/1369984003.db2.gz MIOVKJYJDWXZLO-QZTJIDSGSA-N 2 1 347.547 3.233 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203282412 1370061274 /nfs/dbraw/zinc/06/12/74/1370061274.db2.gz FTAZETCABXUGLR-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001204263228 1370425607 /nfs/dbraw/zinc/42/56/07/1370425607.db2.gz ICWWYYADAMWVRJ-UHFFFAOYSA-N 2 1 349.478 3.447 20 30 EGEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001204263228 1370425612 /nfs/dbraw/zinc/42/56/12/1370425612.db2.gz ICWWYYADAMWVRJ-UHFFFAOYSA-N 2 1 349.478 3.447 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CCCCC1 ZINC001115608243 1370606951 /nfs/dbraw/zinc/60/69/51/1370606951.db2.gz BSYHRLXXHFHZHL-UHFFFAOYSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611791 1370610545 /nfs/dbraw/zinc/61/05/45/1370610545.db2.gz XEHVZZSOCYNPSL-IBGZPJMESA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730425 1370713020 /nfs/dbraw/zinc/71/30/20/1370713020.db2.gz JNUBDVVUBQFUEB-OALUTQOASA-N 2 1 349.563 3.339 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768986 1370753670 /nfs/dbraw/zinc/75/36/70/1370753670.db2.gz QRZZSIWHYJFZSK-MOPGFXCFSA-N 2 1 347.547 3.378 20 30 EGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC001206304688 1371017064 /nfs/dbraw/zinc/01/70/64/1371017064.db2.gz OBLAAVGGRVQYKU-INIZCTEOSA-N 2 1 336.277 3.272 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869113 1371197496 /nfs/dbraw/zinc/19/74/96/1371197496.db2.gz SLFLVNAOLDTICC-HXUWFJFHSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790845 1371505118 /nfs/dbraw/zinc/50/51/18/1371505118.db2.gz ZQSYYDVRGVNFLH-ZIFCJYIRSA-N 2 1 349.563 3.431 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790845 1371505123 /nfs/dbraw/zinc/50/51/23/1371505123.db2.gz ZQSYYDVRGVNFLH-ZIFCJYIRSA-N 2 1 349.563 3.431 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790845 1371505127 /nfs/dbraw/zinc/50/51/27/1371505127.db2.gz ZQSYYDVRGVNFLH-ZIFCJYIRSA-N 2 1 349.563 3.431 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758633 1371885818 /nfs/dbraw/zinc/88/58/18/1371885818.db2.gz MEVMGDQYCOREOV-SFHVURJKSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204775 1372037986 /nfs/dbraw/zinc/03/79/86/1372037986.db2.gz LQRDSNMGTRFXQH-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133446 1372278232 /nfs/dbraw/zinc/27/82/32/1372278232.db2.gz QXXFMNILCUSBBK-LJQANCHMSA-N 2 1 346.519 3.299 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210642076 1372397906 /nfs/dbraw/zinc/39/79/06/1372397906.db2.gz AUCKYNYKRBFKIJ-VQTJNVASSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094470 1372484716 /nfs/dbraw/zinc/48/47/16/1372484716.db2.gz AKUQFBODUUYCKD-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889405 1373136730 /nfs/dbraw/zinc/13/67/30/1373136730.db2.gz LDBHGPJSISKFQR-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962690 1373808779 /nfs/dbraw/zinc/80/87/79/1373808779.db2.gz QDRJOEHQWTXLEJ-RTBURBONSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001132041660 1375113041 /nfs/dbraw/zinc/11/30/41/1375113041.db2.gz IPTIXNFBRLNKHL-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541982 1375122574 /nfs/dbraw/zinc/12/25/74/1375122574.db2.gz FQWYJCKTCXPUDS-KDURUIRLSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132090236 1375139655 /nfs/dbraw/zinc/13/96/55/1375139655.db2.gz FIWAXXSXDDBVTI-FUHWJXTLSA-N 2 1 334.508 3.282 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132090236 1375139660 /nfs/dbraw/zinc/13/96/60/1375139660.db2.gz FIWAXXSXDDBVTI-FUHWJXTLSA-N 2 1 334.508 3.282 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132090236 1375139662 /nfs/dbraw/zinc/13/96/62/1375139662.db2.gz FIWAXXSXDDBVTI-FUHWJXTLSA-N 2 1 334.508 3.282 20 30 EGEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@@H]1C ZINC001132140830 1375167472 /nfs/dbraw/zinc/16/74/72/1375167472.db2.gz LIZJYRJSKBYMHA-DLBZAZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140830 1375167473 /nfs/dbraw/zinc/16/74/73/1375167473.db2.gz LIZJYRJSKBYMHA-DLBZAZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@@H]1C ZINC001132140830 1375167476 /nfs/dbraw/zinc/16/74/76/1375167476.db2.gz LIZJYRJSKBYMHA-DLBZAZTESA-N 2 1 335.536 3.185 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266548 1375255643 /nfs/dbraw/zinc/25/56/43/1375255643.db2.gz YDPZLUNKPYZMSW-MSOLQXFVSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265799 1375256020 /nfs/dbraw/zinc/25/60/20/1375256020.db2.gz SZOGHRLSATZGHT-PKOBYXMFSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132314738 1375291785 /nfs/dbraw/zinc/29/17/85/1375291785.db2.gz NFQHXISTYIHWJW-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001132314738 1375291788 /nfs/dbraw/zinc/29/17/88/1375291788.db2.gz NFQHXISTYIHWJW-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132364222 1375327950 /nfs/dbraw/zinc/32/79/50/1375327950.db2.gz BDCDLOYSXSIHED-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132364222 1375327954 /nfs/dbraw/zinc/32/79/54/1375327954.db2.gz BDCDLOYSXSIHED-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132364222 1375327961 /nfs/dbraw/zinc/32/79/61/1375327961.db2.gz BDCDLOYSXSIHED-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132492274 1375423853 /nfs/dbraw/zinc/42/38/53/1375423853.db2.gz DJOWPUJSICWWTO-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548532 1375456035 /nfs/dbraw/zinc/45/60/35/1375456035.db2.gz FBJBJVIOMYMNCA-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001227797841 1375476466 /nfs/dbraw/zinc/47/64/66/1375476466.db2.gz NLVJSOIKKVUGQD-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147923 1375808176 /nfs/dbraw/zinc/80/81/76/1375808176.db2.gz YMOQVZXXUUISSQ-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133347358 1375936001 /nfs/dbraw/zinc/93/60/01/1375936001.db2.gz WDSMRRXNKWKLPW-OALUTQOASA-N 2 1 337.552 3.147 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235588535 1376877754 /nfs/dbraw/zinc/87/77/54/1376877754.db2.gz KYTRKNDBYDUVDZ-ROUUACIJSA-N 2 1 325.541 3.076 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137116761 1377481082 /nfs/dbraw/zinc/48/10/82/1377481082.db2.gz PTXMTPNFIRNTFY-UHFFFAOYSA-N 2 1 336.439 3.031 20 30 EGEDMP N#Cc1cncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)c1 ZINC001144080742 1378680453 /nfs/dbraw/zinc/68/04/53/1378680453.db2.gz WZVQEZHKQOEUAP-UHFFFAOYSA-N 2 1 336.439 3.034 20 30 EGEDMP N#Cc1cncc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001144085772 1378681126 /nfs/dbraw/zinc/68/11/26/1378681126.db2.gz FQJWWWNRNBMPBD-VXKWHMMOSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cncc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001144085772 1378681129 /nfs/dbraw/zinc/68/11/29/1378681129.db2.gz FQJWWWNRNBMPBD-VXKWHMMOSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cncc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001144085772 1378681134 /nfs/dbraw/zinc/68/11/34/1378681134.db2.gz FQJWWWNRNBMPBD-VXKWHMMOSA-N 2 1 346.478 3.297 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001148811575 1379273240 /nfs/dbraw/zinc/27/32/40/1379273240.db2.gz DPZDOQGGGUYHKL-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464759 1380283036 /nfs/dbraw/zinc/28/30/36/1380283036.db2.gz WQLOLDAHYOQJIH-MRXNPFEDSA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464759 1380283038 /nfs/dbraw/zinc/28/30/38/1380283038.db2.gz WQLOLDAHYOQJIH-MRXNPFEDSA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464759 1380283040 /nfs/dbraw/zinc/28/30/40/1380283040.db2.gz WQLOLDAHYOQJIH-MRXNPFEDSA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464759 1380283042 /nfs/dbraw/zinc/28/30/42/1380283042.db2.gz WQLOLDAHYOQJIH-MRXNPFEDSA-N 2 1 343.943 3.220 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159911385 1381935161 /nfs/dbraw/zinc/93/51/61/1381935161.db2.gz XYLGXCZVDBRXQX-LJQANCHMSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001160991214 1382264449 /nfs/dbraw/zinc/26/44/49/1382264449.db2.gz NHEXMFLXPSYYFI-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001160991214 1382264453 /nfs/dbraw/zinc/26/44/53/1382264453.db2.gz NHEXMFLXPSYYFI-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001160991214 1382264457 /nfs/dbraw/zinc/26/44/57/1382264457.db2.gz NHEXMFLXPSYYFI-FQEVSTJZSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161206718 1382340329 /nfs/dbraw/zinc/34/03/29/1382340329.db2.gz LBUAOHGNPDQIAT-UYAOXDASSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206718 1382340335 /nfs/dbraw/zinc/34/03/35/1382340335.db2.gz LBUAOHGNPDQIAT-UYAOXDASSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206718 1382340339 /nfs/dbraw/zinc/34/03/39/1382340339.db2.gz LBUAOHGNPDQIAT-UYAOXDASSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161220201 1382346520 /nfs/dbraw/zinc/34/65/20/1382346520.db2.gz YQJRYIJFLHWGHO-IBGZPJMESA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622965 1382463463 /nfs/dbraw/zinc/46/34/63/1382463463.db2.gz XTWOCBOVMAFPFQ-UHFFFAOYSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161678739 1382478432 /nfs/dbraw/zinc/47/84/32/1382478432.db2.gz KXRFDYCVXFVKOF-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161678739 1382478434 /nfs/dbraw/zinc/47/84/34/1382478434.db2.gz KXRFDYCVXFVKOF-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161678739 1382478436 /nfs/dbraw/zinc/47/84/36/1382478436.db2.gz KXRFDYCVXFVKOF-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP Cc1[nH+]c(N2CCC([NH3+])(Cc3ccccc3F)CC2)ccc1CC#N ZINC001161990951 1382591875 /nfs/dbraw/zinc/59/18/75/1382591875.db2.gz YPBMSKDGOQMQTI-UHFFFAOYSA-N 2 1 338.430 3.136 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993899 1382592233 /nfs/dbraw/zinc/59/22/33/1382592233.db2.gz NZOZMDZUFCFXPA-UHFFFAOYSA-N 2 1 347.547 3.357 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001167426582 1383631056 /nfs/dbraw/zinc/63/10/56/1383631056.db2.gz UJDWUEHRMPJREV-KRWDZBQOSA-N 2 1 348.535 3.435 20 30 EGEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167828046 1383751226 /nfs/dbraw/zinc/75/12/26/1383751226.db2.gz VNAALSRXIGLDKN-PKOBYXMFSA-N 2 1 348.535 3.032 20 30 EGEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387382 1383891331 /nfs/dbraw/zinc/89/13/31/1383891331.db2.gz GLMSFWUFLMSRDA-HXUWFJFHSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387382 1383891336 /nfs/dbraw/zinc/89/13/36/1383891336.db2.gz GLMSFWUFLMSRDA-HXUWFJFHSA-N 2 1 339.483 3.276 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001171194248 1384465424 /nfs/dbraw/zinc/46/54/24/1384465424.db2.gz IDLGBLNLHZWQNL-QGZVFWFLSA-N 2 1 349.478 3.449 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171247594 1384477710 /nfs/dbraw/zinc/47/77/10/1384477710.db2.gz MUKXMTRVBSENDA-HKUYNNGSSA-N 2 1 335.536 3.234 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCCC ZINC001171308870 1384491564 /nfs/dbraw/zinc/49/15/64/1384491564.db2.gz YJJGFRZOEUFEMJ-UXHICEINSA-N 2 1 349.563 3.319 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCCC ZINC001171308870 1384491565 /nfs/dbraw/zinc/49/15/65/1384491565.db2.gz YJJGFRZOEUFEMJ-UXHICEINSA-N 2 1 349.563 3.319 20 30 EGEDMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3ccccc3C#N)CC2)CC1(C)C ZINC001171629502 1384585746 /nfs/dbraw/zinc/58/57/46/1384585746.db2.gz UHYMFNBNTZJXSY-UHFFFAOYSA-N 2 1 340.515 3.332 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171646096 1384591435 /nfs/dbraw/zinc/59/14/35/1384591435.db2.gz IVIQKQHGAIMYDG-OALUTQOASA-N 2 1 337.552 3.338 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133545 1384738619 /nfs/dbraw/zinc/73/86/19/1384738619.db2.gz SWVVURAIXCHRDX-PXCRPINLSA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133545 1384738626 /nfs/dbraw/zinc/73/86/26/1384738626.db2.gz SWVVURAIXCHRDX-PXCRPINLSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133545 1384738630 /nfs/dbraw/zinc/73/86/30/1384738630.db2.gz SWVVURAIXCHRDX-PXCRPINLSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133545 1384738634 /nfs/dbraw/zinc/73/86/34/1384738634.db2.gz SWVVURAIXCHRDX-PXCRPINLSA-N 2 1 339.483 3.417 20 30 EGEDMP Cc1cc(N([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001172311333 1384766056 /nfs/dbraw/zinc/76/60/56/1384766056.db2.gz BQTWHOKQGUIKLC-MRXNPFEDSA-N 2 1 349.482 3.155 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175571763 1385335630 /nfs/dbraw/zinc/33/56/30/1385335630.db2.gz FRFSNIJMVCAQIQ-MOPGFXCFSA-N 2 1 337.552 3.480 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368375 1385931768 /nfs/dbraw/zinc/93/17/68/1385931768.db2.gz DLVBTPGQTNPFRB-UHFFFAOYSA-N 2 1 346.519 3.156 20 30 EGEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CCCCCC ZINC001177440202 1385957456 /nfs/dbraw/zinc/95/74/56/1385957456.db2.gz DEYVTGHKVJCYAR-UHFFFAOYSA-N 2 1 349.563 3.130 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490183 1386234029 /nfs/dbraw/zinc/23/40/29/1386234029.db2.gz IFNBSXOJNKHVKL-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689652 1386278873 /nfs/dbraw/zinc/27/88/73/1386278873.db2.gz UOUWQEFHLQSZFI-GBESFXJTSA-N 2 1 337.552 3.409 20 30 EGEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361451 1386463029 /nfs/dbraw/zinc/46/30/29/1386463029.db2.gz FPLRCPGNRZFNOB-FQEVSTJZSA-N 2 1 347.547 3.073 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CCC)[C@H]1C ZINC001179983307 1386658234 /nfs/dbraw/zinc/65/82/34/1386658234.db2.gz VGCILDFGLJBEHZ-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181942096 1387080166 /nfs/dbraw/zinc/08/01/66/1387080166.db2.gz YYCLZBVGUKAMKG-MBOZVWFJSA-N 2 1 337.552 3.146 20 30 EGEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001482035515 1394696447 /nfs/dbraw/zinc/69/64/47/1394696447.db2.gz CPVSZBDFJOVBIG-GOSISDBHSA-N 2 1 349.906 3.019 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001752706660 1440202841 /nfs/dbraw/zinc/20/28/41/1440202841.db2.gz IPVQXZMVHIQMSG-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001752706660 1440202842 /nfs/dbraw/zinc/20/28/42/1440202842.db2.gz IPVQXZMVHIQMSG-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001752706660 1440202843 /nfs/dbraw/zinc/20/28/43/1440202843.db2.gz IPVQXZMVHIQMSG-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001752832557 1440226052 /nfs/dbraw/zinc/22/60/52/1440226052.db2.gz YGSNTWBFAVIKJX-HXUWFJFHSA-N 2 1 343.515 3.055 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001752832557 1440226053 /nfs/dbraw/zinc/22/60/53/1440226053.db2.gz YGSNTWBFAVIKJX-HXUWFJFHSA-N 2 1 343.515 3.055 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001753040536 1440276259 /nfs/dbraw/zinc/27/62/59/1440276259.db2.gz ZPFVOTJPHZNKTJ-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001753282096 1440347828 /nfs/dbraw/zinc/34/78/28/1440347828.db2.gz ACFLBDZAQXIAOI-MJGOQNOKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753336026 1440372253 /nfs/dbraw/zinc/37/22/53/1440372253.db2.gz YJTJNLHVFGQLMB-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001753367965 1440386538 /nfs/dbraw/zinc/38/65/38/1440386538.db2.gz OAZOKNQVMNFNFY-HXUWFJFHSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001753367965 1440386539 /nfs/dbraw/zinc/38/65/39/1440386539.db2.gz OAZOKNQVMNFNFY-HXUWFJFHSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001753602864 1440447011 /nfs/dbraw/zinc/44/70/11/1440447011.db2.gz DXWAYYOXLIDIJB-UHFFFAOYSA-N 2 1 347.547 3.143 20 30 EGEDMP C=C(C)CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753820081 1440495494 /nfs/dbraw/zinc/49/54/94/1440495494.db2.gz OGXFJJVQKSBWFW-HXUWFJFHSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001753820081 1440495495 /nfs/dbraw/zinc/49/54/95/1440495495.db2.gz OGXFJJVQKSBWFW-HXUWFJFHSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001753820081 1440495496 /nfs/dbraw/zinc/49/54/96/1440495496.db2.gz OGXFJJVQKSBWFW-HXUWFJFHSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001754344236 1440589402 /nfs/dbraw/zinc/58/94/02/1440589402.db2.gz BTHRCGBRIOGSTF-IEBWSBKVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001754786545 1440688081 /nfs/dbraw/zinc/68/80/81/1440688081.db2.gz ZMWYBNPQOSQGDR-HXUWFJFHSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001754816477 1440692384 /nfs/dbraw/zinc/69/23/84/1440692384.db2.gz FBGGTJICMKKZEQ-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001754844443 1440698736 /nfs/dbraw/zinc/69/87/36/1440698736.db2.gz LGVQOKHKVATTPY-BGYRXZFFSA-N 2 1 349.563 3.079 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754928826 1440710227 /nfs/dbraw/zinc/71/02/27/1440710227.db2.gz YZCUHIMYSPPQJU-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001755046255 1440741079 /nfs/dbraw/zinc/74/10/79/1440741079.db2.gz ABKMDGOCBTXCFZ-KDURUIRLSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001755046255 1440741080 /nfs/dbraw/zinc/74/10/80/1440741080.db2.gz ABKMDGOCBTXCFZ-KDURUIRLSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCCC)CC1 ZINC001755047102 1440741820 /nfs/dbraw/zinc/74/18/20/1440741820.db2.gz FMARSAJCHZHVPB-BGYRXZFFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001755198253 1440778102 /nfs/dbraw/zinc/77/81/02/1440778102.db2.gz WUAXTKRJQQGTNO-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755198253 1440778103 /nfs/dbraw/zinc/77/81/03/1440778103.db2.gz WUAXTKRJQQGTNO-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755198253 1440778104 /nfs/dbraw/zinc/77/81/04/1440778104.db2.gz WUAXTKRJQQGTNO-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000414520683 267148196 /nfs/dbraw/zinc/14/81/96/267148196.db2.gz AUUHEAXYJPZKSD-FGZHOGPDSA-N 2 1 349.478 3.185 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000414520683 267148198 /nfs/dbraw/zinc/14/81/98/267148198.db2.gz AUUHEAXYJPZKSD-FGZHOGPDSA-N 2 1 349.478 3.185 20 30 EGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000246287684 278305799 /nfs/dbraw/zinc/30/57/99/278305799.db2.gz CTVONOVVEXVGIE-GBESFXJTSA-N 2 1 340.515 3.110 20 30 EGEDMP CCC(CC)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000552235705 315208075 /nfs/dbraw/zinc/20/80/75/315208075.db2.gz PJBYGQWPKQVRLD-NRFANRHFSA-N 2 1 342.531 3.483 20 30 EGEDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OCCCC#N)c3)CC[C@@H]21 ZINC000092043264 454508758 /nfs/dbraw/zinc/50/87/58/454508758.db2.gz PHJARDOJFWBHDH-ICSRJNTNSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CC[C@@H]21 ZINC000092043264 454508759 /nfs/dbraw/zinc/50/87/59/454508759.db2.gz PHJARDOJFWBHDH-ICSRJNTNSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CC[C@@H]21 ZINC000092043264 454508763 /nfs/dbraw/zinc/50/87/63/454508763.db2.gz PHJARDOJFWBHDH-ICSRJNTNSA-N 2 1 327.472 3.285 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683718 454728321 /nfs/dbraw/zinc/72/83/21/454728321.db2.gz WDBQYJARPHRKER-HXUWFJFHSA-N 2 1 340.515 3.344 20 30 EGEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)cn1 ZINC000264081597 455190930 /nfs/dbraw/zinc/19/09/30/455190930.db2.gz HQSNIABFIQUIQQ-HNNXBMFYSA-N 2 1 342.491 3.195 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)C(C)C)cc1 ZINC000264144648 455193517 /nfs/dbraw/zinc/19/35/17/455193517.db2.gz XLENZDAPKDOYRB-UHFFFAOYSA-N 2 1 340.471 3.462 20 30 EGEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267442318 455551186 /nfs/dbraw/zinc/55/11/86/455551186.db2.gz PKHMRDGWQZNMJN-OAHLLOKOSA-N 2 1 328.460 3.114 20 30 EGEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267442318 455551189 /nfs/dbraw/zinc/55/11/89/455551189.db2.gz PKHMRDGWQZNMJN-OAHLLOKOSA-N 2 1 328.460 3.114 20 30 EGEDMP C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247928309 455655923 /nfs/dbraw/zinc/65/59/23/455655923.db2.gz BUVMYAHWFSVVQH-ABSDTBQOSA-N 2 1 343.515 3.074 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCSCC#N ZINC000248403813 455713225 /nfs/dbraw/zinc/71/32/25/455713225.db2.gz ZABJCDZZZHPDET-DZFIZOCASA-N 2 1 331.529 3.379 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000271941198 455800586 /nfs/dbraw/zinc/80/05/86/455800586.db2.gz LSIIYYJIIMCHAO-FTRWYGJKSA-N 2 1 347.478 3.485 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000271941198 455800592 /nfs/dbraw/zinc/80/05/92/455800592.db2.gz LSIIYYJIIMCHAO-FTRWYGJKSA-N 2 1 347.478 3.485 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000295130184 455839904 /nfs/dbraw/zinc/83/99/04/455839904.db2.gz ZUFKHZXUKJHQKC-KRWDZBQOSA-N 2 1 329.488 3.072 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(C)C ZINC000295130184 455839909 /nfs/dbraw/zinc/83/99/09/455839909.db2.gz ZUFKHZXUKJHQKC-KRWDZBQOSA-N 2 1 329.488 3.072 20 30 EGEDMP N#CCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280629437 456017602 /nfs/dbraw/zinc/01/76/02/456017602.db2.gz YTLBJHZYNCWVDE-OYRHEFFESA-N 2 1 347.462 3.153 20 30 EGEDMP N#CCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280629437 456017606 /nfs/dbraw/zinc/01/76/06/456017606.db2.gz YTLBJHZYNCWVDE-OYRHEFFESA-N 2 1 347.462 3.153 20 30 EGEDMP N#CCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280629437 456017611 /nfs/dbraw/zinc/01/76/11/456017611.db2.gz YTLBJHZYNCWVDE-OYRHEFFESA-N 2 1 347.462 3.153 20 30 EGEDMP N#CCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280629437 456017613 /nfs/dbraw/zinc/01/76/13/456017613.db2.gz YTLBJHZYNCWVDE-OYRHEFFESA-N 2 1 347.462 3.153 20 30 EGEDMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000281574020 456268436 /nfs/dbraw/zinc/26/84/36/456268436.db2.gz CTRYRLHVGVWJLW-CRAIPNDOSA-N 2 1 327.472 3.309 20 30 EGEDMP N#Cc1cccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000347690116 456308511 /nfs/dbraw/zinc/30/85/11/456308511.db2.gz MJPHADIQWLYFRW-UHFFFAOYSA-N 2 1 328.419 3.429 20 30 EGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290647451 456393752 /nfs/dbraw/zinc/39/37/52/456393752.db2.gz YWCFCCNMANHSKL-UHFFFAOYSA-N 2 1 325.460 3.064 20 30 EGEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000290647451 456393759 /nfs/dbraw/zinc/39/37/59/456393759.db2.gz YWCFCCNMANHSKL-UHFFFAOYSA-N 2 1 325.460 3.064 20 30 EGEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357016661 457278385 /nfs/dbraw/zinc/27/83/85/457278385.db2.gz QTWLCYHUEZIXEE-LJQANCHMSA-N 2 1 347.547 3.164 20 30 EGEDMP Cc1cc(NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C#N)cn1 ZINC000425227651 457465675 /nfs/dbraw/zinc/46/56/75/457465675.db2.gz RVQVLWIMXLHSRN-OAHLLOKOSA-N 2 1 326.469 3.069 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494657568 458721018 /nfs/dbraw/zinc/72/10/18/458721018.db2.gz AQOGQSNKJVFILW-HOTGVXAUSA-N 2 1 339.524 3.308 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000442781588 459035914 /nfs/dbraw/zinc/03/59/14/459035914.db2.gz JKUQNASMLAFRIN-AXVVYFOYSA-N 2 1 327.472 3.078 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593687 459957528 /nfs/dbraw/zinc/95/75/28/459957528.db2.gz VUVGBWNOCAUYJV-IEBWSBKVSA-N 2 1 335.536 3.264 20 30 EGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611392806 460353569 /nfs/dbraw/zinc/35/35/69/460353569.db2.gz MRGVCAMMCIBFIY-PZJWPPBQSA-N 2 1 339.483 3.169 20 30 EGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611392807 460353643 /nfs/dbraw/zinc/35/36/43/460353643.db2.gz MRGVCAMMCIBFIY-TZIWHRDSSA-N 2 1 339.483 3.169 20 30 EGEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619754712 460431889 /nfs/dbraw/zinc/43/18/89/460431889.db2.gz ISSKOGGCSAZNGG-KXBFYZLASA-N 2 1 349.906 3.438 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619754712 460431891 /nfs/dbraw/zinc/43/18/91/460431891.db2.gz ISSKOGGCSAZNGG-KXBFYZLASA-N 2 1 349.906 3.438 20 30 EGEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000733324723 575327826 /nfs/dbraw/zinc/32/78/26/575327826.db2.gz WMAQOODLVSLIGC-UHFFFAOYSA-N 2 1 348.490 3.495 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000834773715 1293145888 /nfs/dbraw/zinc/14/58/88/1293145888.db2.gz JCPCPHUWWAPVBP-VSKRKVRLSA-N 2 1 346.478 3.486 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000834773715 1293145892 /nfs/dbraw/zinc/14/58/92/1293145892.db2.gz JCPCPHUWWAPVBP-VSKRKVRLSA-N 2 1 346.478 3.486 20 30 EGEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000303779669 1296853259 /nfs/dbraw/zinc/85/32/59/1296853259.db2.gz KUBLIQVDYBJESS-SFHVURJKSA-N 2 1 340.471 3.124 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000303885197 1296866944 /nfs/dbraw/zinc/86/69/44/1296866944.db2.gz JNQVKIYBZBKITO-CVEARBPZSA-N 2 1 332.492 3.321 20 30 EGEDMP COc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1 ZINC000303978480 1296885015 /nfs/dbraw/zinc/88/50/15/1296885015.db2.gz MGFYLSBPJBMZLW-KRWDZBQOSA-N 2 1 342.443 3.160 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000957113851 1317194672 /nfs/dbraw/zinc/19/46/72/1317194672.db2.gz SZOAMLLNJFANGK-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000957113851 1317194684 /nfs/dbraw/zinc/19/46/84/1317194684.db2.gz SZOAMLLNJFANGK-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)CC1 ZINC000957555434 1317452677 /nfs/dbraw/zinc/45/26/77/1317452677.db2.gz CKRFFWFWGGBLFI-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000809756153 1317891693 /nfs/dbraw/zinc/89/16/93/1317891693.db2.gz QELJTQOJDTWCGN-FQEVSTJZSA-N 2 1 326.484 3.252 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000815652692 1319036947 /nfs/dbraw/zinc/03/69/47/1319036947.db2.gz NGOZMZFEELNQQX-IEBWSBKVSA-N 2 1 332.463 3.405 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000815652692 1319036958 /nfs/dbraw/zinc/03/69/58/1319036958.db2.gz NGOZMZFEELNQQX-IEBWSBKVSA-N 2 1 332.463 3.405 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000815652554 1319038442 /nfs/dbraw/zinc/03/84/42/1319038442.db2.gz HXFKQRWKSMNQRO-CYBMUJFWSA-N 2 1 339.277 3.069 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000815652554 1319038448 /nfs/dbraw/zinc/03/84/48/1319038448.db2.gz HXFKQRWKSMNQRO-CYBMUJFWSA-N 2 1 339.277 3.069 20 30 EGEDMP CN(C)C(NCc1ccccc1)=[NH+]CCC[N@@H+](C)Cc1ccccc1 ZINC000849054288 1322061162 /nfs/dbraw/zinc/06/11/62/1322061162.db2.gz BKKQVPGBLFVYLV-UHFFFAOYSA-N 2 1 338.499 3.216 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750205 1323652531 /nfs/dbraw/zinc/65/25/31/1323652531.db2.gz OCXKFXYWEOUFJG-FQEVSTJZSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025274986 1324094346 /nfs/dbraw/zinc/09/43/46/1324094346.db2.gz QOOIIPXYYUEZND-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963310255 1325095185 /nfs/dbraw/zinc/09/51/85/1325095185.db2.gz CVZQVRFSHKRMGW-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310255 1325095193 /nfs/dbraw/zinc/09/51/93/1325095193.db2.gz CVZQVRFSHKRMGW-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310255 1325095199 /nfs/dbraw/zinc/09/51/99/1325095199.db2.gz CVZQVRFSHKRMGW-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347327 1325138289 /nfs/dbraw/zinc/13/82/89/1325138289.db2.gz QNNPDJLZJNQMHV-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963430395 1325240685 /nfs/dbraw/zinc/24/06/85/1325240685.db2.gz UZOGUAIZRKAEHK-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948079660 1333368541 /nfs/dbraw/zinc/36/85/41/1333368541.db2.gz YTUINLVSFJZGGW-SJORKVTESA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888410 1336080497 /nfs/dbraw/zinc/08/04/97/1336080497.db2.gz UQVJMMYJASPZPO-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888410 1336080500 /nfs/dbraw/zinc/08/05/00/1336080500.db2.gz UQVJMMYJASPZPO-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968888410 1336080505 /nfs/dbraw/zinc/08/05/05/1336080505.db2.gz UQVJMMYJASPZPO-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990607 1336112593 /nfs/dbraw/zinc/11/25/93/1336112593.db2.gz IWEBDNXEGOHXJR-VQTJNVASSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990607 1336112597 /nfs/dbraw/zinc/11/25/97/1336112597.db2.gz IWEBDNXEGOHXJR-VQTJNVASSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990607 1336112598 /nfs/dbraw/zinc/11/25/98/1336112598.db2.gz IWEBDNXEGOHXJR-VQTJNVASSA-N 2 1 349.563 3.435 20 30 EGEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000969108508 1336146462 /nfs/dbraw/zinc/14/64/62/1336146462.db2.gz DQTQFFQLZSYUCA-VQTJNVASSA-N 2 1 347.547 3.025 20 30 EGEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000969108508 1336146464 /nfs/dbraw/zinc/14/64/64/1336146464.db2.gz DQTQFFQLZSYUCA-VQTJNVASSA-N 2 1 347.547 3.025 20 30 EGEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000969108508 1336146466 /nfs/dbraw/zinc/14/64/66/1336146466.db2.gz DQTQFFQLZSYUCA-VQTJNVASSA-N 2 1 347.547 3.025 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273776 1336811560 /nfs/dbraw/zinc/81/15/60/1336811560.db2.gz AHFLJEMJXHULDM-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008273776 1336811561 /nfs/dbraw/zinc/81/15/61/1336811561.db2.gz AHFLJEMJXHULDM-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008273776 1336811565 /nfs/dbraw/zinc/81/15/65/1336811565.db2.gz AHFLJEMJXHULDM-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229484 1342333607 /nfs/dbraw/zinc/33/36/07/1342333607.db2.gz RFBIZBYSDKCNRF-QGZVFWFLSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001034229484 1342333611 /nfs/dbraw/zinc/33/36/11/1342333611.db2.gz RFBIZBYSDKCNRF-QGZVFWFLSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039387125 1345039661 /nfs/dbraw/zinc/03/96/61/1345039661.db2.gz UJILQMVJHTUCFC-AQNXPRMDSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039387125 1345039664 /nfs/dbraw/zinc/03/96/64/1345039664.db2.gz UJILQMVJHTUCFC-AQNXPRMDSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039387125 1345039666 /nfs/dbraw/zinc/03/96/66/1345039666.db2.gz UJILQMVJHTUCFC-AQNXPRMDSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433547 1345496437 /nfs/dbraw/zinc/49/64/37/1345496437.db2.gz XEBXEUAMFGSLIJ-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945024 1346780562 /nfs/dbraw/zinc/78/05/62/1346780562.db2.gz MTPMZRUHYVYXGX-FPOVZHCZSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787333 1348021983 /nfs/dbraw/zinc/02/19/83/1348021983.db2.gz HGZMVMDGDXURLY-VQTJNVASSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073116273 1355605450 /nfs/dbraw/zinc/60/54/50/1355605450.db2.gz IQPUCNIBUUATNH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073116273 1355605455 /nfs/dbraw/zinc/60/54/55/1355605455.db2.gz IQPUCNIBUUATNH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001073116273 1355605460 /nfs/dbraw/zinc/60/54/60/1355605460.db2.gz IQPUCNIBUUATNH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183869551 1387363686 /nfs/dbraw/zinc/36/36/86/1387363686.db2.gz WBLNZTNFNTUDTL-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749600 1359626585 /nfs/dbraw/zinc/62/65/85/1359626585.db2.gz QYYMIJHTSGQNSP-IPMKNSEASA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749600 1359626587 /nfs/dbraw/zinc/62/65/87/1359626587.db2.gz QYYMIJHTSGQNSP-IPMKNSEASA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749600 1359626591 /nfs/dbraw/zinc/62/65/91/1359626591.db2.gz QYYMIJHTSGQNSP-IPMKNSEASA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402061 1360401490 /nfs/dbraw/zinc/40/14/90/1360401490.db2.gz AKEJRGOWNGIHGA-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402061 1360401491 /nfs/dbraw/zinc/40/14/91/1360401491.db2.gz AKEJRGOWNGIHGA-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402061 1360401496 /nfs/dbraw/zinc/40/14/96/1360401496.db2.gz AKEJRGOWNGIHGA-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089406152 1360404419 /nfs/dbraw/zinc/40/44/19/1360404419.db2.gz HUFZIRBBPHRSKM-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406152 1360404423 /nfs/dbraw/zinc/40/44/23/1360404423.db2.gz HUFZIRBBPHRSKM-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406152 1360404426 /nfs/dbraw/zinc/40/44/26/1360404426.db2.gz HUFZIRBBPHRSKM-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089416128 1360410247 /nfs/dbraw/zinc/41/02/47/1360410247.db2.gz HTNKJMLDDIMTFL-SFHVURJKSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445403 1360434584 /nfs/dbraw/zinc/43/45/84/1360434584.db2.gz HWMCYZPUJAPLJX-OALUTQOASA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089733795 1360638455 /nfs/dbraw/zinc/63/84/55/1360638455.db2.gz BUVKMXYRLOWUMN-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089733795 1360638457 /nfs/dbraw/zinc/63/84/57/1360638457.db2.gz BUVKMXYRLOWUMN-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089733795 1360638461 /nfs/dbraw/zinc/63/84/61/1360638461.db2.gz BUVKMXYRLOWUMN-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184681987 1387507652 /nfs/dbraw/zinc/50/76/52/1387507652.db2.gz AMSVPJKYRFLTCP-ROUUACIJSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056672 1361517210 /nfs/dbraw/zinc/51/72/10/1361517210.db2.gz KCORSIVNZKYLIP-YLJYHZDGSA-N 2 1 343.515 3.012 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098463883 1363333446 /nfs/dbraw/zinc/33/34/46/1363333446.db2.gz HJQSLRYDHAAWQM-RLLQIKCJSA-N 2 1 341.499 3.050 20 30 EGEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCCCCC ZINC001099270427 1363725798 /nfs/dbraw/zinc/72/57/98/1363725798.db2.gz LWYMIUYJUFYGRC-LJQANCHMSA-N 2 1 349.563 3.129 20 30 EGEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099270427 1363725802 /nfs/dbraw/zinc/72/58/02/1363725802.db2.gz LWYMIUYJUFYGRC-LJQANCHMSA-N 2 1 349.563 3.129 20 30 EGEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099270427 1363725805 /nfs/dbraw/zinc/72/58/05/1363725805.db2.gz LWYMIUYJUFYGRC-LJQANCHMSA-N 2 1 349.563 3.129 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348711 1363764492 /nfs/dbraw/zinc/76/44/92/1363764492.db2.gz KZKXOOPMIYEIJZ-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185308473 1387677055 /nfs/dbraw/zinc/67/70/55/1387677055.db2.gz WLOOLXSLHIFEPR-HKUYNNGSSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001101521798 1364596490 /nfs/dbraw/zinc/59/64/90/1364596490.db2.gz BIPMJTXQJKAVMU-PKOBYXMFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001101550545 1364613535 /nfs/dbraw/zinc/61/35/35/1364613535.db2.gz NSPGVONAQQSIBU-MOPGFXCFSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101589560 1364640199 /nfs/dbraw/zinc/64/01/99/1364640199.db2.gz UJCNMAWJXQEGID-SFHVURJKSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983986 1364799197 /nfs/dbraw/zinc/79/91/97/1364799197.db2.gz UIKVBFZRJMDNGZ-YSTOQKLRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983986 1364799200 /nfs/dbraw/zinc/79/92/00/1364799200.db2.gz UIKVBFZRJMDNGZ-YSTOQKLRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983986 1364799202 /nfs/dbraw/zinc/79/92/02/1364799202.db2.gz UIKVBFZRJMDNGZ-YSTOQKLRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001185448602 1387719458 /nfs/dbraw/zinc/71/94/58/1387719458.db2.gz YPEUVTZNCVGUMP-OALUTQOASA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001103049775 1365355336 /nfs/dbraw/zinc/35/53/36/1365355336.db2.gz DUJSJUMEPCDKPS-HZPDHXFCSA-N 2 1 349.544 3.074 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174549 1365420730 /nfs/dbraw/zinc/42/07/30/1365420730.db2.gz RJRMUAHYUAMNHN-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174549 1365420733 /nfs/dbraw/zinc/42/07/33/1365420733.db2.gz RJRMUAHYUAMNHN-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174549 1365420737 /nfs/dbraw/zinc/42/07/37/1365420737.db2.gz RJRMUAHYUAMNHN-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550531 1365629115 /nfs/dbraw/zinc/62/91/15/1365629115.db2.gz VBWXNPBBZHRJTF-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753448 1366157504 /nfs/dbraw/zinc/15/75/04/1366157504.db2.gz BHUKUMHBAYTMIO-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793755 1366175534 /nfs/dbraw/zinc/17/55/34/1366175534.db2.gz GIUFMSUCINHNTK-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727672 1366782113 /nfs/dbraw/zinc/78/21/13/1366782113.db2.gz PLHXCIIPCCDZDJ-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442963 1366965129 /nfs/dbraw/zinc/96/51/29/1366965129.db2.gz UFWHDIZVGOFABS-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442963 1366965131 /nfs/dbraw/zinc/96/51/31/1366965131.db2.gz UFWHDIZVGOFABS-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442963 1366965133 /nfs/dbraw/zinc/96/51/33/1366965133.db2.gz UFWHDIZVGOFABS-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317633 1366987207 /nfs/dbraw/zinc/98/72/07/1366987207.db2.gz UVFZRKPZGVIBGD-VQTJNVASSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186081867 1387862499 /nfs/dbraw/zinc/86/24/99/1387862499.db2.gz CDUOKGNUQPLEBA-MOPGFXCFSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989498 1367658435 /nfs/dbraw/zinc/65/84/35/1367658435.db2.gz XSEXRNNDTJQZAP-SFHVURJKSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597757 1367829107 /nfs/dbraw/zinc/82/91/07/1367829107.db2.gz WFWAUVAIRLYJNN-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597757 1367829110 /nfs/dbraw/zinc/82/91/10/1367829110.db2.gz WFWAUVAIRLYJNN-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576690 1367844057 /nfs/dbraw/zinc/84/40/57/1367844057.db2.gz WEPMHYFWBPUHJN-NNIGNNQHSA-N 2 1 335.536 3.019 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110576690 1367844059 /nfs/dbraw/zinc/84/40/59/1367844059.db2.gz WEPMHYFWBPUHJN-NNIGNNQHSA-N 2 1 335.536 3.019 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576690 1367844063 /nfs/dbraw/zinc/84/40/63/1367844063.db2.gz WEPMHYFWBPUHJN-NNIGNNQHSA-N 2 1 335.536 3.019 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693613 1367932114 /nfs/dbraw/zinc/93/21/14/1367932114.db2.gz OYDWEZFFMZAJLS-YRXWBPOGSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071965 1368178645 /nfs/dbraw/zinc/17/86/45/1368178645.db2.gz KKZVXCMGILOXRS-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266242 1368219617 /nfs/dbraw/zinc/21/96/17/1368219617.db2.gz MULWSJOLNNPMHY-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194266242 1368219619 /nfs/dbraw/zinc/21/96/19/1368219619.db2.gz MULWSJOLNNPMHY-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266242 1368219622 /nfs/dbraw/zinc/21/96/22/1368219622.db2.gz MULWSJOLNNPMHY-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753300 1368444017 /nfs/dbraw/zinc/44/40/17/1368444017.db2.gz REUTYHPHYGDHFW-HDAAZOAOSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753300 1368444022 /nfs/dbraw/zinc/44/40/22/1368444022.db2.gz REUTYHPHYGDHFW-HDAAZOAOSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753300 1368444026 /nfs/dbraw/zinc/44/40/26/1368444026.db2.gz REUTYHPHYGDHFW-HDAAZOAOSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001111904765 1368548123 /nfs/dbraw/zinc/54/81/23/1368548123.db2.gz OYRSNGWYDWGQGI-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111904765 1368548129 /nfs/dbraw/zinc/54/81/29/1368548129.db2.gz OYRSNGWYDWGQGI-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001111904765 1368548130 /nfs/dbraw/zinc/54/81/30/1368548130.db2.gz OYRSNGWYDWGQGI-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353635 1368784896 /nfs/dbraw/zinc/78/48/96/1368784896.db2.gz SLZUTNDWWXXYGR-ZVDOUQERSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197324672 1368788336 /nfs/dbraw/zinc/78/83/36/1368788336.db2.gz PXMSSBCRTCWOHK-SFHVURJKSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197324672 1368788338 /nfs/dbraw/zinc/78/83/38/1368788338.db2.gz PXMSSBCRTCWOHK-SFHVURJKSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001112865037 1369056571 /nfs/dbraw/zinc/05/65/71/1369056571.db2.gz PTBCLPIFSFBCLM-GOSISDBHSA-N 2 1 346.519 3.287 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001113057050 1369171307 /nfs/dbraw/zinc/17/13/07/1369171307.db2.gz AEGHRDNHYBUIQT-LJQANCHMSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001113057050 1369171310 /nfs/dbraw/zinc/17/13/10/1369171310.db2.gz AEGHRDNHYBUIQT-LJQANCHMSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053842 1369473145 /nfs/dbraw/zinc/47/31/45/1369473145.db2.gz ZCKGTQYRJXNXLS-SFHVURJKSA-N 2 1 346.519 3.312 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001202526338 1369799989 /nfs/dbraw/zinc/79/99/89/1369799989.db2.gz FCWYVERFYUJPAK-UHFFFAOYSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202764460 1369882741 /nfs/dbraw/zinc/88/27/41/1369882741.db2.gz MVQABGAAGXAZHQ-MJGOQNOKSA-N 2 1 335.536 3.185 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001114402952 1369933700 /nfs/dbraw/zinc/93/37/00/1369933700.db2.gz KUONQZJZKDFBGL-CTAFRAEOSA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001114402952 1369933702 /nfs/dbraw/zinc/93/37/02/1369933702.db2.gz KUONQZJZKDFBGL-CTAFRAEOSA-N 2 1 349.563 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001114402952 1369933706 /nfs/dbraw/zinc/93/37/06/1369933706.db2.gz KUONQZJZKDFBGL-CTAFRAEOSA-N 2 1 349.563 3.266 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105354 1369984757 /nfs/dbraw/zinc/98/47/57/1369984757.db2.gz XHDHEBYLLQNJTJ-MSOLQXFVSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623595 1369998934 /nfs/dbraw/zinc/99/89/34/1369998934.db2.gz BFYRLYYKJLYORT-XFIJJGBISA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114623595 1369998935 /nfs/dbraw/zinc/99/89/35/1369998935.db2.gz BFYRLYYKJLYORT-XFIJJGBISA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114623595 1369998938 /nfs/dbraw/zinc/99/89/38/1369998938.db2.gz BFYRLYYKJLYORT-XFIJJGBISA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230243 1370032794 /nfs/dbraw/zinc/03/27/94/1370032794.db2.gz LBBQWXCJXNNFAD-OALUTQOASA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001114921055 1370150229 /nfs/dbraw/zinc/15/02/29/1370150229.db2.gz GBFJYJUNULGCGO-WCIQWLHISA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001114921055 1370150233 /nfs/dbraw/zinc/15/02/33/1370150233.db2.gz GBFJYJUNULGCGO-WCIQWLHISA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001114921055 1370150236 /nfs/dbraw/zinc/15/02/36/1370150236.db2.gz GBFJYJUNULGCGO-WCIQWLHISA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791974 1370267091 /nfs/dbraw/zinc/26/70/91/1370267091.db2.gz MMKGHIYWLPIWFW-ROUUACIJSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242804 1370693282 /nfs/dbraw/zinc/69/32/82/1370693282.db2.gz VQKCSKIXDJKTHK-HKUYNNGSSA-N 2 1 335.536 3.042 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334091 1370724558 /nfs/dbraw/zinc/72/45/58/1370724558.db2.gz BIGJDGYWRIZVTM-IEBWSBKVSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120450621 1371581333 /nfs/dbraw/zinc/58/13/33/1371581333.db2.gz XFRJEGMNEXVARN-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450621 1371581334 /nfs/dbraw/zinc/58/13/34/1371581334.db2.gz XFRJEGMNEXVARN-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450621 1371581337 /nfs/dbraw/zinc/58/13/37/1371581337.db2.gz XFRJEGMNEXVARN-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128925 1371604310 /nfs/dbraw/zinc/60/43/10/1371604310.db2.gz LRZYOIUPFHCOPS-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128925 1371604312 /nfs/dbraw/zinc/60/43/12/1371604312.db2.gz LRZYOIUPFHCOPS-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128925 1371604317 /nfs/dbraw/zinc/60/43/17/1371604317.db2.gz LRZYOIUPFHCOPS-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163153 1371613082 /nfs/dbraw/zinc/61/30/82/1371613082.db2.gz DFPHSTSEOWJOJJ-KZNAEPCWSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103542 1371855074 /nfs/dbraw/zinc/85/50/74/1371855074.db2.gz XQFJOEHDMXKQSD-SSBRDVDXSA-N 2 1 347.547 3.231 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121774071 1372077227 /nfs/dbraw/zinc/07/72/27/1372077227.db2.gz XMJSTTSVOJPSCZ-SGPNKGFISA-N 2 1 349.563 3.172 20 30 EGEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001122039773 1372159140 /nfs/dbraw/zinc/15/91/40/1372159140.db2.gz RXEHDMHEGVDXGZ-FCOWATRHSA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001209661738 1372164253 /nfs/dbraw/zinc/16/42/53/1372164253.db2.gz ZOBHUFLMFSQLII-SFHVURJKSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209661209 1372164439 /nfs/dbraw/zinc/16/44/39/1372164439.db2.gz VDVQJEPHAPNIFW-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122101583 1372174759 /nfs/dbraw/zinc/17/47/59/1372174759.db2.gz QIUACPFUDRPUOO-FUSSNKQKSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCC)C2)C1 ZINC001122106838 1372175842 /nfs/dbraw/zinc/17/58/42/1372175842.db2.gz RNLYUPOBAHJCDU-UHFFFAOYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210244623 1372303540 /nfs/dbraw/zinc/30/35/40/1372303540.db2.gz WLYQRDAWNOIQMF-RLLQIKCJSA-N 2 1 343.515 3.082 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210244623 1372303544 /nfs/dbraw/zinc/30/35/44/1372303544.db2.gz WLYQRDAWNOIQMF-RLLQIKCJSA-N 2 1 343.515 3.082 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210244623 1372303550 /nfs/dbraw/zinc/30/35/50/1372303550.db2.gz WLYQRDAWNOIQMF-RLLQIKCJSA-N 2 1 343.515 3.082 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210244623 1372303553 /nfs/dbraw/zinc/30/35/53/1372303553.db2.gz WLYQRDAWNOIQMF-RLLQIKCJSA-N 2 1 343.515 3.082 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223962811 1375049787 /nfs/dbraw/zinc/04/97/87/1375049787.db2.gz UYKUUPOYQLMWMO-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962811 1375049788 /nfs/dbraw/zinc/04/97/88/1375049788.db2.gz UYKUUPOYQLMWMO-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962811 1375049790 /nfs/dbraw/zinc/04/97/90/1375049790.db2.gz UYKUUPOYQLMWMO-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132334628 1375313458 /nfs/dbraw/zinc/31/34/58/1375313458.db2.gz BCOAERXROSACQR-MSOLQXFVSA-N 2 1 346.519 3.332 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132334628 1375313463 /nfs/dbraw/zinc/31/34/63/1375313463.db2.gz BCOAERXROSACQR-MSOLQXFVSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCC[N@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419556 1375366755 /nfs/dbraw/zinc/36/67/55/1375366755.db2.gz DTJRLURHMHQLEG-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001132436751 1375381341 /nfs/dbraw/zinc/38/13/41/1375381341.db2.gz NQBYEFQCVSQDIE-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132436751 1375381346 /nfs/dbraw/zinc/38/13/46/1375381346.db2.gz NQBYEFQCVSQDIE-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)CC[C@H]1C ZINC001132436751 1375381350 /nfs/dbraw/zinc/38/13/50/1375381350.db2.gz NQBYEFQCVSQDIE-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132492275 1375423665 /nfs/dbraw/zinc/42/36/65/1375423665.db2.gz DJOWPUJSICWWTO-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001227390061 1375425164 /nfs/dbraw/zinc/42/51/64/1375425164.db2.gz LZPSRSOGUZMDBG-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185852 1375829599 /nfs/dbraw/zinc/82/95/99/1375829599.db2.gz JZNHTQSBPWBXFD-OALUTQOASA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001230591844 1376090807 /nfs/dbraw/zinc/09/08/07/1376090807.db2.gz LKIBSRINCADCBG-WOJBJXKFSA-N 2 1 349.563 3.242 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235588534 1376876994 /nfs/dbraw/zinc/87/69/94/1376876994.db2.gz KYTRKNDBYDUVDZ-MSOLQXFVSA-N 2 1 325.541 3.076 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481492 1377113905 /nfs/dbraw/zinc/11/39/05/1377113905.db2.gz UPYLEPQYBLTCPV-RBUKOAKNSA-N 2 1 345.531 3.000 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481490 1377114078 /nfs/dbraw/zinc/11/40/78/1377114078.db2.gz UPYLEPQYBLTCPV-MOPGFXCFSA-N 2 1 345.531 3.000 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481295 1377114100 /nfs/dbraw/zinc/11/41/00/1377114100.db2.gz SOKKNNAABUPCSO-OALUTQOASA-N 2 1 345.531 3.000 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135627186 1377168133 /nfs/dbraw/zinc/16/81/33/1377168133.db2.gz XSOXVZLWGXERJN-IRXDYDNUSA-N 2 1 334.508 3.236 20 30 EGEDMP C[N@H+](Cc1ccc(C#N)cc1Br)CC1CC[NH+](C)CC1 ZINC001137636529 1377578726 /nfs/dbraw/zinc/57/87/26/1377578726.db2.gz BGGDZKFSDVCIBJ-UHFFFAOYSA-N 2 1 336.277 3.094 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362299 1380065185 /nfs/dbraw/zinc/06/51/85/1380065185.db2.gz OAYYGMMHXKCLEF-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362299 1380065190 /nfs/dbraw/zinc/06/51/90/1380065190.db2.gz OAYYGMMHXKCLEF-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362299 1380065192 /nfs/dbraw/zinc/06/51/92/1380065192.db2.gz OAYYGMMHXKCLEF-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001158282919 1381183856 /nfs/dbraw/zinc/18/38/56/1381183856.db2.gz FCEIBYXBPFDYHD-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001158282919 1381183857 /nfs/dbraw/zinc/18/38/57/1381183857.db2.gz FCEIBYXBPFDYHD-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001158282919 1381183860 /nfs/dbraw/zinc/18/38/60/1381183860.db2.gz FCEIBYXBPFDYHD-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158856491 1381437627 /nfs/dbraw/zinc/43/76/27/1381437627.db2.gz JNPJTJHAGAYBNI-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872042 1381443957 /nfs/dbraw/zinc/44/39/57/1381443957.db2.gz BXYMTCIRRPAFHV-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872042 1381443967 /nfs/dbraw/zinc/44/39/67/1381443967.db2.gz BXYMTCIRRPAFHV-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158922909 1381466065 /nfs/dbraw/zinc/46/60/65/1381466065.db2.gz MNPLGZHEOAJSJL-LJQANCHMSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922909 1381466075 /nfs/dbraw/zinc/46/60/75/1381466075.db2.gz MNPLGZHEOAJSJL-LJQANCHMSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922909 1381466080 /nfs/dbraw/zinc/46/60/80/1381466080.db2.gz MNPLGZHEOAJSJL-LJQANCHMSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160286679 1382062659 /nfs/dbraw/zinc/06/26/59/1382062659.db2.gz WAFFCOODMUOVOE-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160286679 1382062663 /nfs/dbraw/zinc/06/26/63/1382062663.db2.gz WAFFCOODMUOVOE-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160286679 1382062666 /nfs/dbraw/zinc/06/26/66/1382062666.db2.gz WAFFCOODMUOVOE-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567508 1382144079 /nfs/dbraw/zinc/14/40/79/1382144079.db2.gz AEXHTNZSHCQLQX-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567508 1382144081 /nfs/dbraw/zinc/14/40/81/1382144081.db2.gz AEXHTNZSHCQLQX-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567508 1382144082 /nfs/dbraw/zinc/14/40/82/1382144082.db2.gz AEXHTNZSHCQLQX-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465526 1382416812 /nfs/dbraw/zinc/41/68/12/1382416812.db2.gz SSRQEWCJLGSOIC-UHFFFAOYSA-N 2 1 344.503 3.076 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465526 1382416814 /nfs/dbraw/zinc/41/68/14/1382416814.db2.gz SSRQEWCJLGSOIC-UHFFFAOYSA-N 2 1 344.503 3.076 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952705 1382568433 /nfs/dbraw/zinc/56/84/33/1382568433.db2.gz JPBBCZJSXHEHKO-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485419 1383301579 /nfs/dbraw/zinc/30/15/79/1383301579.db2.gz VJAFPFNOGJIXFF-LJQANCHMSA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165892968 1383358431 /nfs/dbraw/zinc/35/84/31/1383358431.db2.gz FKXNIKUFZIGYCU-UHFFFAOYSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001170785679 1384385250 /nfs/dbraw/zinc/38/52/50/1384385250.db2.gz UKMMLMYYUBSRJP-LJQANCHMSA-N 2 1 337.552 3.483 20 30 EGEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCOCC2)c1 ZINC001170800540 1384387834 /nfs/dbraw/zinc/38/78/34/1384387834.db2.gz DTPCJRVKGFMNSJ-UFYCRDLUSA-N 2 1 327.472 3.199 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCC=C ZINC001171306676 1384490614 /nfs/dbraw/zinc/49/06/14/1384490614.db2.gz AIBQJBAKXMXHEO-UXHICEINSA-N 2 1 347.547 3.095 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCCCC=C ZINC001171306676 1384490618 /nfs/dbraw/zinc/49/06/18/1384490618.db2.gz AIBQJBAKXMXHEO-UXHICEINSA-N 2 1 347.547 3.095 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172116052 1384732998 /nfs/dbraw/zinc/73/29/98/1384732998.db2.gz CWRBMFBSTQOUEB-JTJHWIPRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116052 1384733001 /nfs/dbraw/zinc/73/30/01/1384733001.db2.gz CWRBMFBSTQOUEB-JTJHWIPRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116052 1384733006 /nfs/dbraw/zinc/73/30/06/1384733006.db2.gz CWRBMFBSTQOUEB-JTJHWIPRSA-N 2 1 345.531 3.035 20 30 EGEDMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCC(C)(C#N)CC1 ZINC001173595666 1384983598 /nfs/dbraw/zinc/98/35/98/1384983598.db2.gz RVTXXAYMBVPZQB-TVRKMHQQSA-N 2 1 333.520 3.470 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176022947 1385463372 /nfs/dbraw/zinc/46/33/72/1385463372.db2.gz DPGMVVKNAXUKRE-GOSISDBHSA-N 2 1 325.541 3.339 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177478097 1385972135 /nfs/dbraw/zinc/97/21/35/1385972135.db2.gz RXZVGYOITLKOIZ-QUCCMNQESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177485011 1385974639 /nfs/dbraw/zinc/97/46/39/1385974639.db2.gz OOCHPFUWMKOJQM-KDURUIRLSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634416 1386265440 /nfs/dbraw/zinc/26/54/40/1386265440.db2.gz UOXSQDJVLNQTGM-OALUTQOASA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178689145 1386279044 /nfs/dbraw/zinc/27/90/44/1386279044.db2.gz UVQPVNZBZMUUTR-IBGZPJMESA-N 2 1 337.552 3.197 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178693210 1386279842 /nfs/dbraw/zinc/27/98/42/1386279842.db2.gz LEHSQHTXDMITRK-LJQANCHMSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299566 1386758708 /nfs/dbraw/zinc/75/87/08/1386758708.db2.gz SXEKJVDCTWKRSX-HBFSDRIKSA-N 2 1 343.515 3.052 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299566 1386758713 /nfs/dbraw/zinc/75/87/13/1386758713.db2.gz SXEKJVDCTWKRSX-HBFSDRIKSA-N 2 1 343.515 3.052 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720866 1387045535 /nfs/dbraw/zinc/04/55/35/1387045535.db2.gz QQLROFQOXFQDAY-SVFBPWRDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182776342 1387222781 /nfs/dbraw/zinc/22/27/81/1387222781.db2.gz UZHOJOOUGRXBHS-YLJYHZDGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccccc1 ZINC001338755540 1389752991 /nfs/dbraw/zinc/75/29/91/1389752991.db2.gz INZVDDGSMBBTEZ-UHFFFAOYSA-N 2 1 339.458 3.381 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752442618 1440181637 /nfs/dbraw/zinc/18/16/37/1440181637.db2.gz WVCULICPSOGCMC-RTBURBONSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752815997 1440218047 /nfs/dbraw/zinc/21/80/47/1440218047.db2.gz VQRJPJQLXLSUGA-UYAOXDASSA-N 2 1 343.515 3.084 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752835101 1440227163 /nfs/dbraw/zinc/22/71/63/1440227163.db2.gz BETFXRHMQGFDHE-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001752837293 1440228515 /nfs/dbraw/zinc/22/85/15/1440228515.db2.gz RVCDENURIVVDME-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752971463 1440255068 /nfs/dbraw/zinc/25/50/68/1440255068.db2.gz MODYRFGWCBGIBN-DLBZAZTESA-N 2 1 335.536 3.233 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001753427317 1440397470 /nfs/dbraw/zinc/39/74/70/1440397470.db2.gz HIYHSFSGMRBTDN-UXPWSPDFSA-N 2 1 341.499 3.002 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001754557363 1440632295 /nfs/dbraw/zinc/63/22/95/1440632295.db2.gz GREFWXCQFRUCRI-NRFANRHFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001754557363 1440632296 /nfs/dbraw/zinc/63/22/96/1440632296.db2.gz GREFWXCQFRUCRI-NRFANRHFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001754557363 1440632297 /nfs/dbraw/zinc/63/22/97/1440632297.db2.gz GREFWXCQFRUCRI-NRFANRHFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001754960390 1440717401 /nfs/dbraw/zinc/71/74/01/1440717401.db2.gz IEILZJITZREWEX-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001755046402 1440741296 /nfs/dbraw/zinc/74/12/96/1440741296.db2.gz BTNSEOXHYXJYGS-PMACEKPBSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+](C)C)C[C@@]2(C)C1 ZINC001755460900 1440857274 /nfs/dbraw/zinc/85/72/74/1440857274.db2.gz OVRDPBKKYPDXSA-NRSPTQNISA-N 2 1 349.563 3.243 20 30 EGEDMP CN(c1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1)C1CC[NH+](C)CC1 ZINC000612406470 460621759 /nfs/dbraw/zinc/62/17/59/460621759.db2.gz MUVWQMBEUUADRO-OAQYLSRUSA-N 2 1 340.515 3.343 20 30 EGEDMP C[N@@H+](CCCSCC#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821692 454642153 /nfs/dbraw/zinc/64/21/53/454642153.db2.gz AGHIPYOMIATLIX-UHFFFAOYSA-N 2 1 332.517 3.267 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000154326533 454885645 /nfs/dbraw/zinc/88/56/45/454885645.db2.gz OVLQYFYKYXLZHJ-UWVAXJGDSA-N 2 1 329.488 3.346 20 30 EGEDMP C=CCc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(OC)c1O ZINC000113335774 454922823 /nfs/dbraw/zinc/92/28/23/454922823.db2.gz DKNZASJJYSBECS-AWEZNQCLSA-N 2 1 329.444 3.060 20 30 EGEDMP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267450611 455551031 /nfs/dbraw/zinc/55/10/31/455551031.db2.gz RLZDZTVAVQTFKG-UHFFFAOYSA-N 2 1 328.460 3.068 20 30 EGEDMP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267450611 455551035 /nfs/dbraw/zinc/55/10/35/455551035.db2.gz RLZDZTVAVQTFKG-UHFFFAOYSA-N 2 1 328.460 3.068 20 30 EGEDMP C[C@H]([NH2+]CCOc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665420 455592678 /nfs/dbraw/zinc/59/26/78/455592678.db2.gz OYJOPXZMRUSGNP-FUHWJXTLSA-N 2 1 327.472 3.180 20 30 EGEDMP C[C@H]([NH2+]CCOc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185723548 455605888 /nfs/dbraw/zinc/60/58/88/455605888.db2.gz GTVQGYJATZHZBU-WMZOPIPTSA-N 2 1 327.472 3.180 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249505575 455759091 /nfs/dbraw/zinc/75/90/91/455759091.db2.gz YHSIBCJUXBKJSW-FXAWDEMLSA-N 2 1 329.488 3.093 20 30 EGEDMP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCCCC1 ZINC000285568983 455872059 /nfs/dbraw/zinc/87/20/59/455872059.db2.gz HTPRUKHSMNRAGF-UHFFFAOYSA-N 2 1 340.515 3.381 20 30 EGEDMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000290191999 456263398 /nfs/dbraw/zinc/26/33/98/456263398.db2.gz OIMIMJUPSFCZGE-GOSISDBHSA-N 2 1 342.531 3.233 20 30 EGEDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCCCC#N ZINC000290525673 456352161 /nfs/dbraw/zinc/35/21/61/456352161.db2.gz QHXJEBAJYIJKRI-WMZOPIPTSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCCCC#N ZINC000290525673 456352171 /nfs/dbraw/zinc/35/21/71/456352171.db2.gz QHXJEBAJYIJKRI-WMZOPIPTSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OCCCC#N ZINC000290525673 456352174 /nfs/dbraw/zinc/35/21/74/456352174.db2.gz QHXJEBAJYIJKRI-WMZOPIPTSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCCCC#N ZINC000290525673 456352179 /nfs/dbraw/zinc/35/21/79/456352179.db2.gz QHXJEBAJYIJKRI-WMZOPIPTSA-N 2 1 345.487 3.150 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@@H](C)C1 ZINC000353278536 456605086 /nfs/dbraw/zinc/60/50/86/456605086.db2.gz RAZFMDKDMFURPU-ORYQWCPZSA-N 2 1 341.499 3.272 20 30 EGEDMP Cc1ncc2n1CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000329453137 456893299 /nfs/dbraw/zinc/89/32/99/456893299.db2.gz DEGSVNINDGWZFI-HYVNUMGLSA-N 2 1 344.503 3.363 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)C2 ZINC000329453137 456893302 /nfs/dbraw/zinc/89/33/02/456893302.db2.gz DEGSVNINDGWZFI-HYVNUMGLSA-N 2 1 344.503 3.363 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000329453137 456893305 /nfs/dbraw/zinc/89/33/05/456893305.db2.gz DEGSVNINDGWZFI-HYVNUMGLSA-N 2 1 344.503 3.363 20 30 EGEDMP O=C(Cc1cncn1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000330335227 457030366 /nfs/dbraw/zinc/03/03/66/457030366.db2.gz RJPRBNYPICWYPU-RTBURBONSA-N 2 1 338.455 3.057 20 30 EGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426436176 457830310 /nfs/dbraw/zinc/83/03/10/457830310.db2.gz HFWJWZQDDINXSO-LJQANCHMSA-N 2 1 334.891 3.124 20 30 EGEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411226336 457835055 /nfs/dbraw/zinc/83/50/55/457835055.db2.gz SRCXFLVOICOHTD-BGYRXZFFSA-N 2 1 346.563 3.341 20 30 EGEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411226336 457835060 /nfs/dbraw/zinc/83/50/60/457835060.db2.gz SRCXFLVOICOHTD-BGYRXZFFSA-N 2 1 346.563 3.341 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000373126314 458404553 /nfs/dbraw/zinc/40/45/53/458404553.db2.gz PJSLXMRVHDOUCH-OAQYLSRUSA-N 2 1 341.499 3.110 20 30 EGEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449545959 458426599 /nfs/dbraw/zinc/42/65/99/458426599.db2.gz ALGNPZZUCNKRLY-UXHICEINSA-N 2 1 332.463 3.156 20 30 EGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000495962088 459020054 /nfs/dbraw/zinc/02/00/54/459020054.db2.gz OMSVUGYEFHUFQD-MRXNPFEDSA-N 2 1 339.524 3.023 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488003357 459536909 /nfs/dbraw/zinc/53/69/09/459536909.db2.gz RROUBVCWPKUMPA-XLIONFOSSA-N 2 1 329.488 3.093 20 30 EGEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602459940 459948925 /nfs/dbraw/zinc/94/89/25/459948925.db2.gz WYQNRUVLXSGXKF-UHFFFAOYSA-N 2 1 334.467 3.297 20 30 EGEDMP C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110048 460244557 /nfs/dbraw/zinc/24/45/57/460244557.db2.gz KJJRNZHAKCVFSW-QGZVFWFLSA-N 2 1 342.487 3.083 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000623383785 460519906 /nfs/dbraw/zinc/51/99/06/460519906.db2.gz BDNGFSOXCJGLID-CYBMUJFWSA-N 2 1 326.868 3.343 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000191480926 528866452 /nfs/dbraw/zinc/86/64/52/528866452.db2.gz RNBTZNMZTOIDCX-UHFFFAOYSA-N 2 1 326.444 3.238 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000191480926 528866457 /nfs/dbraw/zinc/86/64/57/528866457.db2.gz RNBTZNMZTOIDCX-UHFFFAOYSA-N 2 1 326.444 3.238 20 30 EGEDMP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000104180790 1293020200 /nfs/dbraw/zinc/02/02/00/1293020200.db2.gz DAAHHDWFCOTLNC-HOTGVXAUSA-N 2 1 334.533 3.007 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000129293432 1293620191 /nfs/dbraw/zinc/62/01/91/1293620191.db2.gz LJUPDALMYXSJFA-XLIONFOSSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000129293432 1293620196 /nfs/dbraw/zinc/62/01/96/1293620196.db2.gz LJUPDALMYXSJFA-XLIONFOSSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000129293432 1293620200 /nfs/dbraw/zinc/62/02/00/1293620200.db2.gz LJUPDALMYXSJFA-XLIONFOSSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000131341445 1293687784 /nfs/dbraw/zinc/68/77/84/1293687784.db2.gz JYMWJFNUPAZBJG-QGZVFWFLSA-N 2 1 344.499 3.437 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NCC1(c2cccs2)CCCCC1 ZINC000262439874 1296633592 /nfs/dbraw/zinc/63/35/92/1296633592.db2.gz CQOMMIGHEHZVLV-INIZCTEOSA-N 2 1 348.560 3.067 20 30 EGEDMP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@H](C)N1)c1ccc(C(F)(F)F)cc1 ZINC000262479786 1296634865 /nfs/dbraw/zinc/63/48/65/1296634865.db2.gz CUBMKYFOARSPNX-SWLSCSKDSA-N 2 1 342.409 3.026 20 30 EGEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC2(C1)CCCCC2 ZINC000262478036 1296635916 /nfs/dbraw/zinc/63/59/16/1296635916.db2.gz QQLDIZGFYVIXBA-KRWDZBQOSA-N 2 1 332.536 3.092 20 30 EGEDMP CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000402403811 1297744880 /nfs/dbraw/zinc/74/48/80/1297744880.db2.gz RYUJVUUWTORFOT-RBBKRZOGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000402403811 1297744892 /nfs/dbraw/zinc/74/48/92/1297744892.db2.gz RYUJVUUWTORFOT-RBBKRZOGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000402403811 1297744905 /nfs/dbraw/zinc/74/49/05/1297744905.db2.gz RYUJVUUWTORFOT-RBBKRZOGSA-N 2 1 349.478 3.046 20 30 EGEDMP C=CC(C)(C)CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000879290752 1300470623 /nfs/dbraw/zinc/47/06/23/1300470623.db2.gz MSBKLGMISIILDY-MOPGFXCFSA-N 2 1 349.563 3.384 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1O ZINC000793764421 1309436837 /nfs/dbraw/zinc/43/68/37/1309436837.db2.gz HBNQNSKAKPMXDM-HXUWFJFHSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1O ZINC000793764421 1309436845 /nfs/dbraw/zinc/43/68/45/1309436845.db2.gz HBNQNSKAKPMXDM-HXUWFJFHSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1O ZINC000793764421 1309436847 /nfs/dbraw/zinc/43/68/47/1309436847.db2.gz HBNQNSKAKPMXDM-HXUWFJFHSA-N 2 1 330.472 3.047 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568359 1317467149 /nfs/dbraw/zinc/46/71/49/1317467149.db2.gz ISUFTJHVTBITJP-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647674 1317518969 /nfs/dbraw/zinc/51/89/69/1317518969.db2.gz RDLBEQGDIHFADK-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000818960861 1319592674 /nfs/dbraw/zinc/59/26/74/1319592674.db2.gz JZRZFDDDHGGYEO-OAQYLSRUSA-N 2 1 337.467 3.222 20 30 EGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000924643840 1323089954 /nfs/dbraw/zinc/08/99/54/1323089954.db2.gz QWNUJLLYJVSPHG-QUCCMNQESA-N 2 1 342.531 3.283 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024691873 1323607135 /nfs/dbraw/zinc/60/71/35/1323607135.db2.gz CNEQOUXZHDWGPQ-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691873 1323607146 /nfs/dbraw/zinc/60/71/46/1323607146.db2.gz CNEQOUXZHDWGPQ-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691873 1323607149 /nfs/dbraw/zinc/60/71/49/1323607149.db2.gz CNEQOUXZHDWGPQ-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250274 1324050695 /nfs/dbraw/zinc/05/06/95/1324050695.db2.gz ALIHQACMSYUJFK-RBUKOAKNSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250274 1324050700 /nfs/dbraw/zinc/05/07/00/1324050700.db2.gz ALIHQACMSYUJFK-RBUKOAKNSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026548411 1324885481 /nfs/dbraw/zinc/88/54/81/1324885481.db2.gz YVONMGHQDDSCHA-AFMYVXGZSA-N 2 1 347.547 3.377 20 30 EGEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027412028 1327640028 /nfs/dbraw/zinc/64/00/28/1327640028.db2.gz VSSURFPFHRXNJJ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027412028 1327640033 /nfs/dbraw/zinc/64/00/33/1327640033.db2.gz VSSURFPFHRXNJJ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027412028 1327640038 /nfs/dbraw/zinc/64/00/38/1327640038.db2.gz VSSURFPFHRXNJJ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692349 1328096997 /nfs/dbraw/zinc/09/69/97/1328096997.db2.gz GPLOXHRNYIDGDK-SFHVURJKSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692349 1328097003 /nfs/dbraw/zinc/09/70/03/1328097003.db2.gz GPLOXHRNYIDGDK-SFHVURJKSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108256 1328187384 /nfs/dbraw/zinc/18/73/84/1328187384.db2.gz WWNLQQHIXHLMOM-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057686 1333358564 /nfs/dbraw/zinc/35/85/64/1333358564.db2.gz XSUUSPKRQIOMKX-QAPCUYQASA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057686 1333358569 /nfs/dbraw/zinc/35/85/69/1333358569.db2.gz XSUUSPKRQIOMKX-QAPCUYQASA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434330 1333523211 /nfs/dbraw/zinc/52/32/11/1333523211.db2.gz AYXWOQVRPRPDSF-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434330 1333523214 /nfs/dbraw/zinc/52/32/14/1333523214.db2.gz AYXWOQVRPRPDSF-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434330 1333523216 /nfs/dbraw/zinc/52/32/16/1333523216.db2.gz AYXWOQVRPRPDSF-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926138 1336092071 /nfs/dbraw/zinc/09/20/71/1336092071.db2.gz VPONHXSAFCKNSK-QGZVFWFLSA-N 2 1 340.471 3.193 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990356 1336111753 /nfs/dbraw/zinc/11/17/53/1336111753.db2.gz BQDKTPLXTMUIMT-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990356 1336111758 /nfs/dbraw/zinc/11/17/58/1336111758.db2.gz BQDKTPLXTMUIMT-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990356 1336111766 /nfs/dbraw/zinc/11/17/66/1336111766.db2.gz BQDKTPLXTMUIMT-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000969060007 1336133856 /nfs/dbraw/zinc/13/38/56/1336133856.db2.gz UVTCRUZXWOZLPU-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060007 1336133858 /nfs/dbraw/zinc/13/38/58/1336133858.db2.gz UVTCRUZXWOZLPU-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000969060007 1336133860 /nfs/dbraw/zinc/13/38/60/1336133860.db2.gz UVTCRUZXWOZLPU-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028543770 1340695546 /nfs/dbraw/zinc/69/55/46/1340695546.db2.gz YMUPEXMGLVDVLD-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028543770 1340695551 /nfs/dbraw/zinc/69/55/51/1340695551.db2.gz YMUPEXMGLVDVLD-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028543770 1340695556 /nfs/dbraw/zinc/69/55/56/1340695556.db2.gz YMUPEXMGLVDVLD-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366384 1341797924 /nfs/dbraw/zinc/79/79/24/1341797924.db2.gz WQQAWKJBSKQIDW-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366384 1341797926 /nfs/dbraw/zinc/79/79/26/1341797926.db2.gz WQQAWKJBSKQIDW-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366384 1341797927 /nfs/dbraw/zinc/79/79/27/1341797927.db2.gz WQQAWKJBSKQIDW-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424628 1345725857 /nfs/dbraw/zinc/72/58/57/1345725857.db2.gz NANWZGQHOXHCAW-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424628 1345725858 /nfs/dbraw/zinc/72/58/58/1345725858.db2.gz NANWZGQHOXHCAW-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424628 1345725860 /nfs/dbraw/zinc/72/58/60/1345725860.db2.gz NANWZGQHOXHCAW-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945182 1346780408 /nfs/dbraw/zinc/78/04/08/1346780408.db2.gz NXVMXYBDSRCSDF-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945182 1346780411 /nfs/dbraw/zinc/78/04/11/1346780411.db2.gz NXVMXYBDSRCSDF-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945182 1346780413 /nfs/dbraw/zinc/78/04/13/1346780413.db2.gz NXVMXYBDSRCSDF-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049563512 1347911824 /nfs/dbraw/zinc/91/18/24/1347911824.db2.gz CLHJXDDBCPHWOR-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563512 1347911827 /nfs/dbraw/zinc/91/18/27/1347911827.db2.gz CLHJXDDBCPHWOR-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563512 1347911829 /nfs/dbraw/zinc/91/18/29/1347911829.db2.gz CLHJXDDBCPHWOR-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762231 1348007464 /nfs/dbraw/zinc/00/74/64/1348007464.db2.gz OMDFCKIZXVDBMV-ZWKOTPCHSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049762231 1348007468 /nfs/dbraw/zinc/00/74/68/1348007468.db2.gz OMDFCKIZXVDBMV-ZWKOTPCHSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913914 1348109047 /nfs/dbraw/zinc/10/90/47/1348109047.db2.gz KDLNTDDTYWOHMD-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050068086 1348171539 /nfs/dbraw/zinc/17/15/39/1348171539.db2.gz XGKQOXGLUVOIDI-SLFFLAALSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050068086 1348171543 /nfs/dbraw/zinc/17/15/43/1348171543.db2.gz XGKQOXGLUVOIDI-SLFFLAALSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050068086 1348171545 /nfs/dbraw/zinc/17/15/45/1348171545.db2.gz XGKQOXGLUVOIDI-SLFFLAALSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921626 1359248298 /nfs/dbraw/zinc/24/82/98/1359248298.db2.gz VJNPHGUMACUBFZ-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086927345 1359252723 /nfs/dbraw/zinc/25/27/23/1359252723.db2.gz ZTPQVEAPNAVEBR-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070597 1360159056 /nfs/dbraw/zinc/15/90/56/1360159056.db2.gz NLRHVKYQNGFBHQ-AEFFLSMTSA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089382564 1360384189 /nfs/dbraw/zinc/38/41/89/1360384189.db2.gz UDKIDRLUDYYDGA-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382564 1360384191 /nfs/dbraw/zinc/38/41/91/1360384191.db2.gz UDKIDRLUDYYDGA-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089382564 1360384194 /nfs/dbraw/zinc/38/41/94/1360384194.db2.gz UDKIDRLUDYYDGA-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426145 1360419294 /nfs/dbraw/zinc/41/92/94/1360419294.db2.gz HCVRLJLBQQRUCJ-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426145 1360419296 /nfs/dbraw/zinc/41/92/96/1360419296.db2.gz HCVRLJLBQQRUCJ-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426145 1360419300 /nfs/dbraw/zinc/41/93/00/1360419300.db2.gz HCVRLJLBQQRUCJ-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC(C)(C)C1 ZINC001089536688 1360496068 /nfs/dbraw/zinc/49/60/68/1360496068.db2.gz FJGXVENMXIMNGP-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089536688 1360496069 /nfs/dbraw/zinc/49/60/69/1360496069.db2.gz FJGXVENMXIMNGP-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)CC(C)(C)C1 ZINC001089536688 1360496071 /nfs/dbraw/zinc/49/60/71/1360496071.db2.gz FJGXVENMXIMNGP-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089638981 1360552706 /nfs/dbraw/zinc/55/27/06/1360552706.db2.gz KUZSVQCVKTXKGH-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638981 1360552708 /nfs/dbraw/zinc/55/27/08/1360552708.db2.gz KUZSVQCVKTXKGH-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638981 1360552711 /nfs/dbraw/zinc/55/27/11/1360552711.db2.gz KUZSVQCVKTXKGH-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001089661476 1360572579 /nfs/dbraw/zinc/57/25/79/1360572579.db2.gz XITVFWMQTMQAFD-MRXNPFEDSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734054 1360638548 /nfs/dbraw/zinc/63/85/48/1360638548.db2.gz GKOSJPXFKOYZAD-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734054 1360638551 /nfs/dbraw/zinc/63/85/51/1360638551.db2.gz GKOSJPXFKOYZAD-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734054 1360638554 /nfs/dbraw/zinc/63/85/54/1360638554.db2.gz GKOSJPXFKOYZAD-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110286 1363628060 /nfs/dbraw/zinc/62/80/60/1363628060.db2.gz ADPAHCJITVGBSN-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110286 1363628062 /nfs/dbraw/zinc/62/80/62/1363628062.db2.gz ADPAHCJITVGBSN-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110286 1363628065 /nfs/dbraw/zinc/62/80/65/1363628065.db2.gz ADPAHCJITVGBSN-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099116338 1363631857 /nfs/dbraw/zinc/63/18/57/1363631857.db2.gz QODYBRMPZJCGGQ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116338 1363631860 /nfs/dbraw/zinc/63/18/60/1363631860.db2.gz QODYBRMPZJCGGQ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116338 1363631862 /nfs/dbraw/zinc/63/18/62/1363631862.db2.gz QODYBRMPZJCGGQ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225370 1363701103 /nfs/dbraw/zinc/70/11/03/1363701103.db2.gz SDWATTHTWQPCPH-QZTJIDSGSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099252670 1363715152 /nfs/dbraw/zinc/71/51/52/1363715152.db2.gz YZGNSAGZNKXQGE-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCCCCC ZINC001099271069 1363725506 /nfs/dbraw/zinc/72/55/06/1363725506.db2.gz SVCCSUHDGRPOTK-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099271069 1363725509 /nfs/dbraw/zinc/72/55/09/1363725509.db2.gz SVCCSUHDGRPOTK-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099271069 1363725512 /nfs/dbraw/zinc/72/55/12/1363725512.db2.gz SVCCSUHDGRPOTK-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001100764862 1364251858 /nfs/dbraw/zinc/25/18/58/1364251858.db2.gz JAOIBNWOWINULQ-LMDPOFIKSA-N 2 1 337.552 3.338 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101575174 1364628820 /nfs/dbraw/zinc/62/88/20/1364628820.db2.gz XGOBHXPAULYCCJ-IEBWSBKVSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001101575077 1364629025 /nfs/dbraw/zinc/62/90/25/1364629025.db2.gz RUZILZQHKGHJLV-SFHVURJKSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001101582171 1364634514 /nfs/dbraw/zinc/63/45/14/1364634514.db2.gz BXLFHHXBAOYPSQ-MOPGFXCFSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102071519 1364836586 /nfs/dbraw/zinc/83/65/86/1364836586.db2.gz NQTVYFQMRJSITL-QRVBRYPASA-N 2 1 339.568 3.227 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102465904 1365070809 /nfs/dbraw/zinc/07/08/09/1365070809.db2.gz BFTKJSWASTVEDW-ZHALLVOQSA-N 2 1 346.519 3.011 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102465904 1365070813 /nfs/dbraw/zinc/07/08/13/1365070813.db2.gz BFTKJSWASTVEDW-ZHALLVOQSA-N 2 1 346.519 3.011 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090296 1365376109 /nfs/dbraw/zinc/37/61/09/1365376109.db2.gz PPODYSFCIZTSAU-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090296 1365376112 /nfs/dbraw/zinc/37/61/12/1365376112.db2.gz PPODYSFCIZTSAU-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090296 1365376114 /nfs/dbraw/zinc/37/61/14/1365376114.db2.gz PPODYSFCIZTSAU-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751533 1365763817 /nfs/dbraw/zinc/76/38/17/1365763817.db2.gz DXBYABZWPHYUOX-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563195 1366532685 /nfs/dbraw/zinc/53/26/85/1366532685.db2.gz GKUMPVYTVGDVIB-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@@H]2C)CCC1 ZINC001105564060 1366533474 /nfs/dbraw/zinc/53/34/74/1366533474.db2.gz VSGRBEXPDVWAEO-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572631 1366539064 /nfs/dbraw/zinc/53/90/64/1366539064.db2.gz XKVSAPVXNBMUMG-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105574531 1366539596 /nfs/dbraw/zinc/53/95/96/1366539596.db2.gz AHJPETZJBQIFRG-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577114 1366541348 /nfs/dbraw/zinc/54/13/48/1366541348.db2.gz QQNDRMJMHRTJST-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450130 1366968256 /nfs/dbraw/zinc/96/82/56/1366968256.db2.gz DQEAXQPFBBXJDU-SFHLNBCPSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568047 1367048473 /nfs/dbraw/zinc/04/84/73/1367048473.db2.gz UAASAILELSKILP-TZIWHRDSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212542 1367201373 /nfs/dbraw/zinc/20/13/73/1367201373.db2.gz FFMUBOJQBDWMAF-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443237 1367267762 /nfs/dbraw/zinc/26/77/62/1367267762.db2.gz GUWYYWRZSPLNPI-QZTJIDSGSA-N 2 1 343.531 3.169 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743626 1367341183 /nfs/dbraw/zinc/34/11/83/1367341183.db2.gz MOPVENKQXIXPIM-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190743626 1367341185 /nfs/dbraw/zinc/34/11/85/1367341185.db2.gz MOPVENKQXIXPIM-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190743626 1367341188 /nfs/dbraw/zinc/34/11/88/1367341188.db2.gz MOPVENKQXIXPIM-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351872 1367482806 /nfs/dbraw/zinc/48/28/06/1367482806.db2.gz NKUZIDHPRKHODL-LJQANCHMSA-N 2 1 340.471 3.227 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794044 1367600071 /nfs/dbraw/zinc/60/00/71/1367600071.db2.gz MKZXMHHTWISCCL-OTWHNJEPSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803866 1367605787 /nfs/dbraw/zinc/60/57/87/1367605787.db2.gz HBTAGWIYNVLYKQ-ZCNNSNEGSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565898 1367837466 /nfs/dbraw/zinc/83/74/66/1367837466.db2.gz RIUHMBKZNXEALP-MANSERQUSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110660392 1367902810 /nfs/dbraw/zinc/90/28/10/1367902810.db2.gz CMLHJRJBFXLXMV-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110660392 1367902815 /nfs/dbraw/zinc/90/28/15/1367902815.db2.gz CMLHJRJBFXLXMV-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110660392 1367902820 /nfs/dbraw/zinc/90/28/20/1367902820.db2.gz CMLHJRJBFXLXMV-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406912 1368254781 /nfs/dbraw/zinc/25/47/81/1368254781.db2.gz DEVGAOFWADSKEM-KRWDZBQOSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194420587 1368257879 /nfs/dbraw/zinc/25/78/79/1368257879.db2.gz SYYGXJPMMLMERY-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195866387 1368506852 /nfs/dbraw/zinc/50/68/52/1368506852.db2.gz ZUWMETZFUYGEJN-WOJBJXKFSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195866387 1368506854 /nfs/dbraw/zinc/50/68/54/1368506854.db2.gz ZUWMETZFUYGEJN-WOJBJXKFSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195866387 1368506859 /nfs/dbraw/zinc/50/68/59/1368506859.db2.gz ZUWMETZFUYGEJN-WOJBJXKFSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891532 1368536496 /nfs/dbraw/zinc/53/64/96/1368536496.db2.gz WOCHYYFVEDXFMK-LMNJBCLMSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242116 1368574287 /nfs/dbraw/zinc/57/42/87/1368574287.db2.gz BPGSBLNRXRWGII-MOPGFXCFSA-N 2 1 346.519 3.359 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009461 1368613368 /nfs/dbraw/zinc/61/33/68/1368613368.db2.gz DKQYZEYIUIMEAJ-ICSRJNTNSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009461 1368613372 /nfs/dbraw/zinc/61/33/72/1368613372.db2.gz DKQYZEYIUIMEAJ-ICSRJNTNSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001112009461 1368613376 /nfs/dbraw/zinc/61/33/76/1368613376.db2.gz DKQYZEYIUIMEAJ-ICSRJNTNSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001197331858 1368789959 /nfs/dbraw/zinc/78/99/59/1368789959.db2.gz PARICMAIFWRLMN-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410629 1368830788 /nfs/dbraw/zinc/83/07/88/1368830788.db2.gz IMTYPEHXEGVUMV-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001186605999 1387984907 /nfs/dbraw/zinc/98/49/07/1387984907.db2.gz YOIUUWLFFJOLCE-IBGZPJMESA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186605999 1387984910 /nfs/dbraw/zinc/98/49/10/1387984910.db2.gz YOIUUWLFFJOLCE-IBGZPJMESA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186605999 1387984912 /nfs/dbraw/zinc/98/49/12/1387984912.db2.gz YOIUUWLFFJOLCE-IBGZPJMESA-N 2 1 349.563 3.243 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001200894734 1369445276 /nfs/dbraw/zinc/44/52/76/1369445276.db2.gz WZLZUCWKUFQXJG-IBGZPJMESA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203026975 1369958952 /nfs/dbraw/zinc/95/89/52/1369958952.db2.gz BDPNMBZYFGCGDZ-RTBURBONSA-N 2 1 349.563 3.458 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230663 1370032886 /nfs/dbraw/zinc/03/28/86/1370032886.db2.gz PGVDSLZTCKTKHC-RTBURBONSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114990239 1370195017 /nfs/dbraw/zinc/19/50/17/1370195017.db2.gz ZRBWSGYIPRPDKD-FUMNGEBKSA-N 2 1 349.563 3.146 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205763338 1370864212 /nfs/dbraw/zinc/86/42/12/1370864212.db2.gz QBWYIBQZBXVLIP-UHFFFAOYSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206273905 1371009775 /nfs/dbraw/zinc/00/97/75/1371009775.db2.gz CZPFNYMBINOTHD-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CCCCC1 ZINC001119990089 1371444705 /nfs/dbraw/zinc/44/47/05/1371444705.db2.gz UFZDOKBNYUSNBJ-IBGZPJMESA-N 2 1 347.547 3.073 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207789584 1371505015 /nfs/dbraw/zinc/50/50/15/1371505015.db2.gz BHFWRMYAECCBNZ-SPYBWZPUSA-N 2 1 340.471 3.048 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049028 1371580240 /nfs/dbraw/zinc/58/02/40/1371580240.db2.gz LMZHQHLRMTZOHI-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120450577 1371581805 /nfs/dbraw/zinc/58/18/05/1371581805.db2.gz WRSRZXFCOCVDGG-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194035 1371885031 /nfs/dbraw/zinc/88/50/31/1371885031.db2.gz NMWTVCGQURBJDH-SSBRDVDXSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159101 1372018661 /nfs/dbraw/zinc/01/86/61/1372018661.db2.gz ULNHEAUXBRTXKN-KZNAEPCWSA-N 2 1 346.519 3.188 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159101 1372018667 /nfs/dbraw/zinc/01/86/67/1372018667.db2.gz ULNHEAUXBRTXKN-KZNAEPCWSA-N 2 1 346.519 3.188 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001121773403 1372077408 /nfs/dbraw/zinc/07/74/08/1372077408.db2.gz RRIFVZAOGOGGPK-GGQJKKPXSA-N 2 1 349.563 3.316 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215773967 1373236585 /nfs/dbraw/zinc/23/65/85/1373236585.db2.gz FYQALFRUGMJKHS-VAMGGRTRSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)C1 ZINC001218849081 1373660255 /nfs/dbraw/zinc/66/02/55/1373660255.db2.gz QGYOKPQBPCZWCN-QFIPXVFZSA-N 2 1 347.462 3.449 20 30 EGEDMP C=C1C[NH2+][C@](C)(C(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)C1 ZINC001218849081 1373660259 /nfs/dbraw/zinc/66/02/59/1373660259.db2.gz QGYOKPQBPCZWCN-QFIPXVFZSA-N 2 1 347.462 3.449 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001224187505 1375060363 /nfs/dbraw/zinc/06/03/63/1375060363.db2.gz RGUSYAHBBVNSER-AZUAARDMSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248923 1375244401 /nfs/dbraw/zinc/24/44/01/1375244401.db2.gz KNRGCYUZQKEDGX-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335182 1375313922 /nfs/dbraw/zinc/31/39/22/1375313922.db2.gz KPQLERXJIVIUJR-ROUUACIJSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335182 1375313928 /nfs/dbraw/zinc/31/39/28/1375313928.db2.gz KPQLERXJIVIUJR-ROUUACIJSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001132354396 1375326095 /nfs/dbraw/zinc/32/60/95/1375326095.db2.gz LZGFGLDITBBDLI-PXNSSMCTSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132543169 1375450786 /nfs/dbraw/zinc/45/07/86/1375450786.db2.gz VWXHMGODQAZHNG-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132543169 1375450790 /nfs/dbraw/zinc/45/07/90/1375450790.db2.gz VWXHMGODQAZHNG-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132543169 1375450791 /nfs/dbraw/zinc/45/07/91/1375450791.db2.gz VWXHMGODQAZHNG-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132543169 1375450796 /nfs/dbraw/zinc/45/07/96/1375450796.db2.gz VWXHMGODQAZHNG-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132543163 1375451054 /nfs/dbraw/zinc/45/10/54/1375451054.db2.gz VWXHMGODQAZHNG-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132543163 1375451055 /nfs/dbraw/zinc/45/10/55/1375451055.db2.gz VWXHMGODQAZHNG-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132543163 1375451057 /nfs/dbraw/zinc/45/10/57/1375451057.db2.gz VWXHMGODQAZHNG-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1C ZINC001132543163 1375451058 /nfs/dbraw/zinc/45/10/58/1375451058.db2.gz VWXHMGODQAZHNG-AZUAARDMSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132887218 1375625906 /nfs/dbraw/zinc/62/59/06/1375625906.db2.gz CVIAZLXYOMCIJR-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001133011132 1375709656 /nfs/dbraw/zinc/70/96/56/1375709656.db2.gz GDDBCMVKYKQNLO-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141395 1375802673 /nfs/dbraw/zinc/80/26/73/1375802673.db2.gz CXMZCNGIQFSTPO-ROUUACIJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165430 1375819185 /nfs/dbraw/zinc/81/91/85/1375819185.db2.gz GUUUOMGNWRADKP-PKOBYXMFSA-N 2 1 346.519 3.012 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334426 1376001206 /nfs/dbraw/zinc/00/12/06/1376001206.db2.gz WFSZAVZXWKKOCF-HDICACEKSA-N 2 1 337.552 3.410 20 30 EGEDMP N#CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001137120645 1377481625 /nfs/dbraw/zinc/48/16/25/1377481625.db2.gz YTLBJHZYNCWVDE-NHCUHLMSSA-N 2 1 347.462 3.153 20 30 EGEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139406035 1377879533 /nfs/dbraw/zinc/87/95/33/1377879533.db2.gz JYQVVFNQBZISSX-TZIWHRDSSA-N 2 1 332.451 3.004 20 30 EGEDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(-c3cc(C#N)ccn3)cc1)C2 ZINC001139406035 1377879544 /nfs/dbraw/zinc/87/95/44/1377879544.db2.gz JYQVVFNQBZISSX-TZIWHRDSSA-N 2 1 332.451 3.004 20 30 EGEDMP CSc1nc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)ccc1C#N ZINC001141939999 1378396701 /nfs/dbraw/zinc/39/67/01/1378396701.db2.gz YVGMTKRDTBOBSF-UHFFFAOYSA-N 2 1 332.517 3.227 20 30 EGEDMP N#Cc1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001144085771 1378681994 /nfs/dbraw/zinc/68/19/94/1378681994.db2.gz FQJWWWNRNBMPBD-FGZHOGPDSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001144085771 1378681997 /nfs/dbraw/zinc/68/19/97/1378681997.db2.gz FQJWWWNRNBMPBD-FGZHOGPDSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC001144085771 1378682000 /nfs/dbraw/zinc/68/20/00/1378682000.db2.gz FQJWWWNRNBMPBD-FGZHOGPDSA-N 2 1 346.478 3.297 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147716796 1379064158 /nfs/dbraw/zinc/06/41/58/1379064158.db2.gz NEDIOQBFFXCPPF-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716796 1379064164 /nfs/dbraw/zinc/06/41/64/1379064164.db2.gz NEDIOQBFFXCPPF-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716796 1379064169 /nfs/dbraw/zinc/06/41/69/1379064169.db2.gz NEDIOQBFFXCPPF-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986282 1379103181 /nfs/dbraw/zinc/10/31/81/1379103181.db2.gz REMOMUWCKDBKML-GOSISDBHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900166 1379294274 /nfs/dbraw/zinc/29/42/74/1379294274.db2.gz UCVRDSXNBOXMPS-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155248920 1380429128 /nfs/dbraw/zinc/42/91/28/1380429128.db2.gz AFVGGMAUNOGDSX-GOSISDBHSA-N 2 1 345.531 3.197 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156342210 1380562313 /nfs/dbraw/zinc/56/23/13/1380562313.db2.gz VDZBJOJCYVSHHG-NQIIRXRSSA-N 2 1 345.531 3.256 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137826 1380784426 /nfs/dbraw/zinc/78/44/26/1380784426.db2.gz DSGITIBZNDWGLJ-QGZVFWFLSA-N 2 1 331.504 3.155 20 30 EGEDMP CCCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872342 1381444916 /nfs/dbraw/zinc/44/49/16/1381444916.db2.gz JCEYHVKNHWVGTJ-LJQANCHMSA-N 2 1 348.535 3.475 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872342 1381444923 /nfs/dbraw/zinc/44/49/23/1381444923.db2.gz JCEYHVKNHWVGTJ-LJQANCHMSA-N 2 1 348.535 3.475 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158949012 1381479319 /nfs/dbraw/zinc/47/93/19/1381479319.db2.gz DPCVLVNDCDIJPY-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158949012 1381479325 /nfs/dbraw/zinc/47/93/25/1381479325.db2.gz DPCVLVNDCDIJPY-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001158949012 1381479328 /nfs/dbraw/zinc/47/93/28/1381479328.db2.gz DPCVLVNDCDIJPY-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001158949012 1381479335 /nfs/dbraw/zinc/47/93/35/1381479335.db2.gz DPCVLVNDCDIJPY-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955591 1381484857 /nfs/dbraw/zinc/48/48/57/1381484857.db2.gz MXJVUIGQVYDPEY-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)Cc1ccccc1 ZINC001158955591 1381484865 /nfs/dbraw/zinc/48/48/65/1381484865.db2.gz MXJVUIGQVYDPEY-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001158955591 1381484881 /nfs/dbraw/zinc/48/48/81/1381484881.db2.gz MXJVUIGQVYDPEY-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001158955591 1381484885 /nfs/dbraw/zinc/48/48/85/1381484885.db2.gz MXJVUIGQVYDPEY-HXUWFJFHSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007879 1382269791 /nfs/dbraw/zinc/26/97/91/1382269791.db2.gz FWORQRQFCSZVIA-HBFSDRIKSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161007879 1382269799 /nfs/dbraw/zinc/26/97/99/1382269799.db2.gz FWORQRQFCSZVIA-HBFSDRIKSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161007879 1382269801 /nfs/dbraw/zinc/26/98/01/1382269801.db2.gz FWORQRQFCSZVIA-HBFSDRIKSA-N 2 1 347.547 3.210 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001164455918 1383188318 /nfs/dbraw/zinc/18/83/18/1383188318.db2.gz JLWBLFZNFGIOFP-GOSISDBHSA-N 2 1 325.541 3.175 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334210 1383275848 /nfs/dbraw/zinc/27/58/48/1383275848.db2.gz XADXIIJFFFANPY-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001167223878 1383570175 /nfs/dbraw/zinc/57/01/75/1383570175.db2.gz CRKMUMVPVBRWOK-SFHVURJKSA-N 2 1 337.552 3.317 20 30 EGEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001168330328 1383875523 /nfs/dbraw/zinc/87/55/23/1383875523.db2.gz PDZKGEZEXZETKL-AFMYVXGZSA-N 2 1 327.472 3.274 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)[C@@H]2CC ZINC001169133568 1384112109 /nfs/dbraw/zinc/11/21/09/1384112109.db2.gz HMZDAAYSBVWOKS-HZVKZAKPSA-N 2 1 345.531 3.033 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)[C@@H]2CC ZINC001169133568 1384112111 /nfs/dbraw/zinc/11/21/11/1384112111.db2.gz HMZDAAYSBVWOKS-HZVKZAKPSA-N 2 1 345.531 3.033 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@@H]2CC ZINC001169133568 1384112113 /nfs/dbraw/zinc/11/21/13/1384112113.db2.gz HMZDAAYSBVWOKS-HZVKZAKPSA-N 2 1 345.531 3.033 20 30 EGEDMP N#Cc1ccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@H]2CCCOCC2)cc1 ZINC001170801485 1384388898 /nfs/dbraw/zinc/38/88/98/1384388898.db2.gz VVLQQKQYODDCLM-UFYCRDLUSA-N 2 1 327.472 3.199 20 30 EGEDMP N#Cc1ccc(C[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172236226 1384753424 /nfs/dbraw/zinc/75/34/24/1384753424.db2.gz PEJIJENTYCHFND-YRMMNHGISA-N 2 1 337.467 3.116 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001172301089 1384763884 /nfs/dbraw/zinc/76/38/84/1384763884.db2.gz KIOMNCHJLQRFIN-FBEWHJACSA-N 2 1 331.463 3.209 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001172301089 1384763886 /nfs/dbraw/zinc/76/38/86/1384763886.db2.gz KIOMNCHJLQRFIN-FBEWHJACSA-N 2 1 331.463 3.209 20 30 EGEDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319326 1384768593 /nfs/dbraw/zinc/76/85/93/1384768593.db2.gz MVGMWUMPHZFGEZ-DYESRHJHSA-N 2 1 341.499 3.064 20 30 EGEDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319326 1384768595 /nfs/dbraw/zinc/76/85/95/1384768595.db2.gz MVGMWUMPHZFGEZ-DYESRHJHSA-N 2 1 341.499 3.064 20 30 EGEDMP CC(C)(C)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C1CCC(CC#N)CC1 ZINC001173333034 1384960693 /nfs/dbraw/zinc/96/06/93/1384960693.db2.gz JMTMVCYZCIXFCM-DAWZGUTISA-N 2 1 333.520 3.470 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174881659 1385164427 /nfs/dbraw/zinc/16/44/27/1385164427.db2.gz LLNDXAATDRFSQX-RTBURBONSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271401 1385236250 /nfs/dbraw/zinc/23/62/50/1385236250.db2.gz BBENBLFOUOSBAW-ZWKOTPCHSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001176111127 1385486758 /nfs/dbraw/zinc/48/67/58/1385486758.db2.gz GGQHOKZCTWRZBY-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001177349027 1385924252 /nfs/dbraw/zinc/92/42/52/1385924252.db2.gz VAWWKUUIPGPILG-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001319378127 1386091179 /nfs/dbraw/zinc/09/11/79/1386091179.db2.gz VLHKRYFEGPNZFS-INIZCTEOSA-N 2 1 341.927 3.020 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178483907 1386231779 /nfs/dbraw/zinc/23/17/79/1386231779.db2.gz JZQGLVAZGWKMBB-RTBURBONSA-N 2 1 335.536 3.093 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926542 1386351711 /nfs/dbraw/zinc/35/17/11/1386351711.db2.gz YSUGSQCYZXYBHY-FHWLQOOXSA-N 2 1 337.552 3.410 20 30 EGEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001698714729 1406357489 /nfs/dbraw/zinc/35/74/89/1406357489.db2.gz MHRLSNZWYQWDDK-BZSNNMDCSA-N 2 1 349.906 3.059 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732154298 1428398346 /nfs/dbraw/zinc/39/83/46/1428398346.db2.gz OWXULOHKLUHOKC-QGZVFWFLSA-N 2 1 342.487 3.417 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717340707 1421278390 /nfs/dbraw/zinc/27/83/90/1421278390.db2.gz AWULNAAESXJICY-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753275389 1440346118 /nfs/dbraw/zinc/34/61/18/1440346118.db2.gz QMVLBKQNECIDFX-MJGOQNOKSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001754731726 1440679646 /nfs/dbraw/zinc/67/96/46/1440679646.db2.gz XFLRIEDCNJLKNS-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001755031541 1440731833 /nfs/dbraw/zinc/73/18/33/1440731833.db2.gz UKMJKNQRZYIHDY-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001755079210 1440750280 /nfs/dbraw/zinc/75/02/80/1440750280.db2.gz YWBLIZNZOZEPHV-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001755079210 1440750281 /nfs/dbraw/zinc/75/02/81/1440750281.db2.gz YWBLIZNZOZEPHV-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001755079210 1440750282 /nfs/dbraw/zinc/75/02/82/1440750282.db2.gz YWBLIZNZOZEPHV-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)CCC[NH+]3CCCCC3)cc2C1 ZINC001755101587 1440752814 /nfs/dbraw/zinc/75/28/14/1440752814.db2.gz RHPULSNGCMMYMH-UHFFFAOYSA-N 2 1 341.499 3.071 20 30 EGEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)CCC[NH+]3CCCCC3)cc2C1 ZINC001755101587 1440752815 /nfs/dbraw/zinc/75/28/15/1440752815.db2.gz RHPULSNGCMMYMH-UHFFFAOYSA-N 2 1 341.499 3.071 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001755139294 1440759477 /nfs/dbraw/zinc/75/94/77/1440759477.db2.gz VKCKNBMJHWIFBK-IAGOWNOFSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001755532519 1440868048 /nfs/dbraw/zinc/86/80/48/1440868048.db2.gz QLAQXSNEHQDHSP-FQEVSTJZSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001755532519 1440868049 /nfs/dbraw/zinc/86/80/49/1440868049.db2.gz QLAQXSNEHQDHSP-FQEVSTJZSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001755532519 1440868050 /nfs/dbraw/zinc/86/80/50/1440868050.db2.gz QLAQXSNEHQDHSP-FQEVSTJZSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCN(c2ccc([C@H]3CCCC[N@H+]3CCC)cn2)CC1 ZINC001165034373 721872954 /nfs/dbraw/zinc/87/29/54/721872954.db2.gz IORVSXDAFJHBQT-LJQANCHMSA-N 2 1 328.504 3.327 20 30 EGEDMP C=CC[NH+]1CCN(c2ccc([C@H]3CCCC[N@@H+]3CCC)cn2)CC1 ZINC001165034373 721872955 /nfs/dbraw/zinc/87/29/55/721872955.db2.gz IORVSXDAFJHBQT-LJQANCHMSA-N 2 1 328.504 3.327 20 30 EGEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268688787 252141363 /nfs/dbraw/zinc/14/13/63/252141363.db2.gz OMGVZQMIOXUTQN-QFUCXCTJSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268688787 252141367 /nfs/dbraw/zinc/14/13/67/252141367.db2.gz OMGVZQMIOXUTQN-QFUCXCTJSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268688787 252141371 /nfs/dbraw/zinc/14/13/71/252141371.db2.gz OMGVZQMIOXUTQN-QFUCXCTJSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268688787 252141374 /nfs/dbraw/zinc/14/13/74/252141374.db2.gz OMGVZQMIOXUTQN-QFUCXCTJSA-N 2 1 341.499 3.178 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H](NCC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000190006721 455270873 /nfs/dbraw/zinc/27/08/73/455270873.db2.gz OESSCZORKYOQQA-XLIONFOSSA-N 2 1 348.918 3.418 20 30 EGEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)CC1 ZINC000119756698 454217917 /nfs/dbraw/zinc/21/79/17/454217917.db2.gz USPYMJMUCXHXDK-UHFFFAOYSA-N 2 1 336.439 3.114 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000122051931 454506782 /nfs/dbraw/zinc/50/67/82/454506782.db2.gz ZQJSQCCPRZOKAG-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000153000434 454751782 /nfs/dbraw/zinc/75/17/82/454751782.db2.gz ZNANEWGUSIDBHQ-INIZCTEOSA-N 2 1 332.488 3.265 20 30 EGEDMP C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000171306840 455060151 /nfs/dbraw/zinc/06/01/51/455060151.db2.gz DEYCAYMIWGRBID-IYBDPMFKSA-N 2 1 345.462 3.019 20 30 EGEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000171306840 455060158 /nfs/dbraw/zinc/06/01/58/455060158.db2.gz DEYCAYMIWGRBID-IYBDPMFKSA-N 2 1 345.462 3.019 20 30 EGEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C[C@@H](C)O1 ZINC000171306850 455060545 /nfs/dbraw/zinc/06/05/45/455060545.db2.gz DEYCAYMIWGRBID-HZPDHXFCSA-N 2 1 345.462 3.019 20 30 EGEDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(C#N)c1 ZINC000181541593 455351939 /nfs/dbraw/zinc/35/19/39/455351939.db2.gz RCXCAWYWYNNOQS-SFHVURJKSA-N 2 1 348.494 3.156 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H](c2ccccc2)C1 ZINC000248900823 455738093 /nfs/dbraw/zinc/73/80/93/455738093.db2.gz ULLHHUGMTYPGJL-HMXCVIKNSA-N 2 1 340.515 3.037 20 30 EGEDMP C=CCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293349117 455783382 /nfs/dbraw/zinc/78/33/82/455783382.db2.gz NNQIOABEXFWMLW-FQEVSTJZSA-N 2 1 328.500 3.302 20 30 EGEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N(C)CCC#N)cc1 ZINC000289489938 456127455 /nfs/dbraw/zinc/12/74/55/456127455.db2.gz RLRFUYWWWSETMO-UHFFFAOYSA-N 2 1 328.504 3.344 20 30 EGEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(C#N)c3F)CC2)C[C@@H](C)O1 ZINC000352886257 456390219 /nfs/dbraw/zinc/39/02/19/456390219.db2.gz GIAPMXPKSBKXMR-HZPDHXFCSA-N 2 1 345.462 3.019 20 30 EGEDMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)ccc1C#N ZINC000340394590 456435650 /nfs/dbraw/zinc/43/56/50/456435650.db2.gz KDWSRDXRBZRCNA-PMACEKPBSA-N 2 1 335.451 3.492 20 30 EGEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)ccc1C#N ZINC000340394590 456435656 /nfs/dbraw/zinc/43/56/56/456435656.db2.gz KDWSRDXRBZRCNA-PMACEKPBSA-N 2 1 335.451 3.492 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000303063022 456443819 /nfs/dbraw/zinc/44/38/19/456443819.db2.gz YVKCJDOWYNRIPI-FQEVSTJZSA-N 2 1 341.499 3.381 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000303063022 456443824 /nfs/dbraw/zinc/44/38/24/456443824.db2.gz YVKCJDOWYNRIPI-FQEVSTJZSA-N 2 1 341.499 3.381 20 30 EGEDMP C[N@H+](Cc1ccc(CC#N)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000343746902 456771468 /nfs/dbraw/zinc/77/14/68/456771468.db2.gz YAKVFHWDXCJEGZ-UHFFFAOYSA-N 2 1 334.467 3.496 20 30 EGEDMP C[C@H](NC(=O)[C@@H]1CCn2cncc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329330314 456873603 /nfs/dbraw/zinc/87/36/03/456873603.db2.gz YYQIVFRRWYLRSP-XHSDSOJGSA-N 2 1 330.476 3.055 20 30 EGEDMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1)CC(C)C ZINC000349404609 456963541 /nfs/dbraw/zinc/96/35/41/456963541.db2.gz FQDFGMVCLKWQTB-UHFFFAOYSA-N 2 1 330.520 3.477 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000367616628 457968347 /nfs/dbraw/zinc/96/83/47/457968347.db2.gz LSCIAFIUEDLLIC-UHFFFAOYSA-N 2 1 338.499 3.157 20 30 EGEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000420982461 458405745 /nfs/dbraw/zinc/40/57/45/458405745.db2.gz OTRANRZRSXKQTO-GOSISDBHSA-N 2 1 340.515 3.111 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)n3)cc2)C1 ZINC000602514761 459978424 /nfs/dbraw/zinc/97/84/24/459978424.db2.gz LVMFNOWIMDFOCZ-KRWDZBQOSA-N 2 1 334.467 3.475 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598713307 460003969 /nfs/dbraw/zinc/00/39/69/460003969.db2.gz ANYYKEHIRNCMSD-PXNSSMCTSA-N 2 1 343.515 3.309 20 30 EGEDMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815548 460983924 /nfs/dbraw/zinc/98/39/24/460983924.db2.gz WVWSFYBHJBYPMZ-OXJNMPFZSA-N 2 1 327.472 3.026 20 30 EGEDMP C=CCCC[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654984352 462440441 /nfs/dbraw/zinc/44/04/41/462440441.db2.gz AWHNLVJQOUKPEG-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000187664649 534084599 /nfs/dbraw/zinc/08/45/99/534084599.db2.gz DNVAGEARSJKLMP-FHWLQOOXSA-N 2 1 340.515 3.110 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000089631908 1292773487 /nfs/dbraw/zinc/77/34/87/1292773487.db2.gz NLWPISZNHDVSAF-JQHSSLGASA-N 2 1 345.487 3.196 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000089631908 1292773493 /nfs/dbraw/zinc/77/34/93/1292773493.db2.gz NLWPISZNHDVSAF-JQHSSLGASA-N 2 1 345.487 3.196 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000164409396 1294347620 /nfs/dbraw/zinc/34/76/20/1294347620.db2.gz ZCHXBSNMDHSOEG-QGZVFWFLSA-N 2 1 344.499 3.437 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000164532648 1294350510 /nfs/dbraw/zinc/35/05/10/1294350510.db2.gz GYXJSECJEFNLHI-SJLPKXTDSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000164532648 1294350517 /nfs/dbraw/zinc/35/05/17/1294350517.db2.gz GYXJSECJEFNLHI-SJLPKXTDSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(O)c(OC)c1 ZINC000164532648 1294350522 /nfs/dbraw/zinc/35/05/22/1294350522.db2.gz GYXJSECJEFNLHI-SJLPKXTDSA-N 2 1 330.472 3.045 20 30 EGEDMP CCCCCCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000303873244 1296863158 /nfs/dbraw/zinc/86/31/58/1296863158.db2.gz CJKSPLBZMDPZOP-UHFFFAOYSA-N 2 1 342.491 3.341 20 30 EGEDMP c1ccc(NC(=[NH+]C[C@H]2CC[N@H+](C3CC3)C2)N2CCCCC2)cc1 ZINC000303874414 1296865081 /nfs/dbraw/zinc/86/50/81/1296865081.db2.gz DBCHYIVUXNXJAM-QGZVFWFLSA-N 2 1 326.488 3.425 20 30 EGEDMP C[C@@H](NC(=[NH2+])NC[C@H](C)[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000303968068 1296881951 /nfs/dbraw/zinc/88/19/51/1296881951.db2.gz AGEKYURMBBZYHY-WDEREUQCSA-N 2 1 343.302 3.441 20 30 EGEDMP CC[N@@H+](CCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000303977030 1296886504 /nfs/dbraw/zinc/88/65/04/1296886504.db2.gz KRXOPVOIAKWQGU-LLVKDONJSA-N 2 1 343.302 3.443 20 30 EGEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303991571 1296887528 /nfs/dbraw/zinc/88/75/28/1296887528.db2.gz ZRPYACUIYLXCQS-LLVKDONJSA-N 2 1 331.291 3.299 20 30 EGEDMP CCNC(NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)=[NH+]CC ZINC000305692898 1297025186 /nfs/dbraw/zinc/02/51/86/1297025186.db2.gz QRNVWMAYRCISNS-BBRMVZONSA-N 2 1 340.874 3.047 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000877009632 1299113325 /nfs/dbraw/zinc/11/33/25/1299113325.db2.gz UOMDHPYKNVLDPW-UHFFFAOYSA-N 2 1 339.524 3.167 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1O ZINC000755781635 1300395151 /nfs/dbraw/zinc/39/51/51/1300395151.db2.gz WBOJYCWHVOSXPX-SFHVURJKSA-N 2 1 344.499 3.293 20 30 EGEDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000902948371 1317633263 /nfs/dbraw/zinc/63/32/63/1317633263.db2.gz RFCQSFHJBBJKSZ-YADHBBJMSA-N 2 1 349.478 3.366 20 30 EGEDMP C=CC[NH+](CC=C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903064577 1317645742 /nfs/dbraw/zinc/64/57/42/1317645742.db2.gz CXFPFOMYXXFSBA-VCYXJBJXSA-N 2 1 331.548 3.432 20 30 EGEDMP C=CCN(CC=C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)C(C)C ZINC000903064577 1317645749 /nfs/dbraw/zinc/64/57/49/1317645749.db2.gz CXFPFOMYXXFSBA-VCYXJBJXSA-N 2 1 331.548 3.432 20 30 EGEDMP C=CCN(CC=C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)C(C)C ZINC000903064577 1317645758 /nfs/dbraw/zinc/64/57/58/1317645758.db2.gz CXFPFOMYXXFSBA-VCYXJBJXSA-N 2 1 331.548 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961380099 1319538034 /nfs/dbraw/zinc/53/80/34/1319538034.db2.gz YWWFANNTYWZSSM-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819025075 1319618116 /nfs/dbraw/zinc/61/81/16/1319618116.db2.gz XNJDIEPGKLHYJF-QGZVFWFLSA-N 2 1 342.405 3.369 20 30 EGEDMP CC[C@@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000838951393 1320840914 /nfs/dbraw/zinc/84/09/14/1320840914.db2.gz HQEDOHTUKZHEKC-SFHVURJKSA-N 2 1 343.471 3.093 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246350 1324045630 /nfs/dbraw/zinc/04/56/30/1324045630.db2.gz CXDXMHJAMXEPSE-MOPGFXCFSA-N 2 1 345.531 3.036 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025466041 1324312041 /nfs/dbraw/zinc/31/20/41/1324312041.db2.gz ZLRPHFDBZJYNQW-DOTOQJQBSA-N 2 1 340.471 3.049 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559227 1324406665 /nfs/dbraw/zinc/40/66/65/1324406665.db2.gz SDFWHGHIDPZPFK-PXNSSMCTSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001026571657 1324904677 /nfs/dbraw/zinc/90/46/77/1324904677.db2.gz GOPCDJLMSIZHAU-JCYILVPMSA-N 2 1 341.927 3.019 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001026590917 1324916867 /nfs/dbraw/zinc/91/68/67/1324916867.db2.gz LJHVHWBQSGYYBM-CTWPCTMYSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963347326 1325138374 /nfs/dbraw/zinc/13/83/74/1325138374.db2.gz QNNPDJLZJNQMHV-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027412030 1327639880 /nfs/dbraw/zinc/63/98/80/1327639880.db2.gz VSSURFPFHRXNJJ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027412030 1327639885 /nfs/dbraw/zinc/63/98/85/1327639885.db2.gz VSSURFPFHRXNJJ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027412030 1327639889 /nfs/dbraw/zinc/63/98/89/1327639889.db2.gz VSSURFPFHRXNJJ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001027470495 1327727644 /nfs/dbraw/zinc/72/76/44/1327727644.db2.gz RRMDJHAVSGUTDJ-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001027470495 1327727654 /nfs/dbraw/zinc/72/76/54/1327727654.db2.gz RRMDJHAVSGUTDJ-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001027470495 1327727663 /nfs/dbraw/zinc/72/76/63/1327727663.db2.gz RRMDJHAVSGUTDJ-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416972 1333517717 /nfs/dbraw/zinc/51/77/17/1333517717.db2.gz UGTQNKLFSMAAHL-KRWDZBQOSA-N 2 1 349.544 3.312 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439510 1333525751 /nfs/dbraw/zinc/52/57/51/1333525751.db2.gz QVCLABCGOZBGED-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439510 1333525752 /nfs/dbraw/zinc/52/57/52/1333525752.db2.gz QVCLABCGOZBGED-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439510 1333525755 /nfs/dbraw/zinc/52/57/55/1333525755.db2.gz QVCLABCGOZBGED-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948674421 1333623786 /nfs/dbraw/zinc/62/37/86/1333623786.db2.gz WZSMVDNFLRZEBV-SFHVURJKSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156491 1336166201 /nfs/dbraw/zinc/16/62/01/1336166201.db2.gz UFOHBJRMDLWVGM-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156491 1336166202 /nfs/dbraw/zinc/16/62/02/1336166202.db2.gz UFOHBJRMDLWVGM-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156491 1336166203 /nfs/dbraw/zinc/16/62/03/1336166203.db2.gz UFOHBJRMDLWVGM-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001017838728 1339429212 /nfs/dbraw/zinc/42/92/12/1339429212.db2.gz AMJAPYNRDFDXMU-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001017838728 1339429214 /nfs/dbraw/zinc/42/92/14/1339429214.db2.gz AMJAPYNRDFDXMU-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366383 1341797540 /nfs/dbraw/zinc/79/75/40/1341797540.db2.gz WQQAWKJBSKQIDW-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366383 1341797542 /nfs/dbraw/zinc/79/75/42/1341797542.db2.gz WQQAWKJBSKQIDW-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366383 1341797543 /nfs/dbraw/zinc/79/75/43/1341797543.db2.gz WQQAWKJBSKQIDW-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001034749081 1342736584 /nfs/dbraw/zinc/73/65/84/1342736584.db2.gz GOPCDJLMSIZHAU-ULQDDVLXSA-N 2 1 341.927 3.019 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241578 1344967124 /nfs/dbraw/zinc/96/71/24/1344967124.db2.gz DJHCXSCKLXAHCR-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]21 ZINC001042125233 1345950490 /nfs/dbraw/zinc/95/04/90/1345950490.db2.gz QHHSROGOKLLDLG-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125233 1345950491 /nfs/dbraw/zinc/95/04/91/1345950491.db2.gz QHHSROGOKLLDLG-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]21 ZINC001042125233 1345950492 /nfs/dbraw/zinc/95/04/92/1345950492.db2.gz QHHSROGOKLLDLG-HKUYNNGSSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572202 1347599094 /nfs/dbraw/zinc/59/90/94/1347599094.db2.gz BVOHMTAVXHRWCI-IYWMVGAKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572202 1347599096 /nfs/dbraw/zinc/59/90/96/1347599096.db2.gz BVOHMTAVXHRWCI-IYWMVGAKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572202 1347599097 /nfs/dbraw/zinc/59/90/97/1347599097.db2.gz BVOHMTAVXHRWCI-IYWMVGAKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857816 1348704210 /nfs/dbraw/zinc/70/42/10/1348704210.db2.gz VEFTZYYIEBWYCX-FQEVSTJZSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001052860014 1348706054 /nfs/dbraw/zinc/70/60/54/1348706054.db2.gz PIAADVLFIPATIH-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860014 1348706056 /nfs/dbraw/zinc/70/60/56/1348706056.db2.gz PIAADVLFIPATIH-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001052860014 1348706057 /nfs/dbraw/zinc/70/60/57/1348706057.db2.gz PIAADVLFIPATIH-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264965 1349262945 /nfs/dbraw/zinc/26/29/45/1349262945.db2.gz XQAAPDGTTGFYHI-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264965 1349262946 /nfs/dbraw/zinc/26/29/46/1349262946.db2.gz XQAAPDGTTGFYHI-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264965 1349262949 /nfs/dbraw/zinc/26/29/49/1349262949.db2.gz XQAAPDGTTGFYHI-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3CC)cc2C1 ZINC001054292873 1349299705 /nfs/dbraw/zinc/29/97/05/1349299705.db2.gz XSGXZAWTNCBLKN-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292873 1349299708 /nfs/dbraw/zinc/29/97/08/1349299708.db2.gz XSGXZAWTNCBLKN-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292873 1349299711 /nfs/dbraw/zinc/29/97/11/1349299711.db2.gz XSGXZAWTNCBLKN-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071546366 1354758560 /nfs/dbraw/zinc/75/85/60/1354758560.db2.gz KSXYCTKXUGLNSL-NVXWUHKLSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071546366 1354758565 /nfs/dbraw/zinc/75/85/65/1354758565.db2.gz KSXYCTKXUGLNSL-NVXWUHKLSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072110070 1355136544 /nfs/dbraw/zinc/13/65/44/1355136544.db2.gz RXRAIPGJHMJBKR-SJORKVTESA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@H]1C ZINC001072110068 1355136943 /nfs/dbraw/zinc/13/69/43/1355136943.db2.gz RXRAIPGJHMJBKR-IAGOWNOFSA-N 2 1 347.503 3.280 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC001075458317 1356390237 /nfs/dbraw/zinc/39/02/37/1356390237.db2.gz BYRYJUKXOPQADY-AZUAARDMSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001183516852 1387316124 /nfs/dbraw/zinc/31/61/24/1387316124.db2.gz BHNXZILRJMRCLK-UYAOXDASSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597744 1358624370 /nfs/dbraw/zinc/62/43/70/1358624370.db2.gz FHUKWJDGZKTZEQ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597744 1358624372 /nfs/dbraw/zinc/62/43/72/1358624372.db2.gz FHUKWJDGZKTZEQ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597744 1358624375 /nfs/dbraw/zinc/62/43/75/1358624375.db2.gz FHUKWJDGZKTZEQ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602418 1359551258 /nfs/dbraw/zinc/55/12/58/1359551258.db2.gz OQCRVKUAHXFPPN-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602418 1359551260 /nfs/dbraw/zinc/55/12/60/1359551260.db2.gz OQCRVKUAHXFPPN-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087602418 1359551265 /nfs/dbraw/zinc/55/12/65/1359551265.db2.gz OQCRVKUAHXFPPN-XUVXKRRUSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792158 1359648279 /nfs/dbraw/zinc/64/82/79/1359648279.db2.gz PSTXSEQTPXWPHQ-OTWHNJEPSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792158 1359648281 /nfs/dbraw/zinc/64/82/81/1359648281.db2.gz PSTXSEQTPXWPHQ-OTWHNJEPSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792158 1359648285 /nfs/dbraw/zinc/64/82/85/1359648285.db2.gz PSTXSEQTPXWPHQ-OTWHNJEPSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001088394221 1359870106 /nfs/dbraw/zinc/87/01/06/1359870106.db2.gz ZVABPUIZRMCHHQ-GOSISDBHSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001088412036 1359883319 /nfs/dbraw/zinc/88/33/19/1359883319.db2.gz WESLYVYUVGUJIW-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402060 1360401125 /nfs/dbraw/zinc/40/11/25/1360401125.db2.gz AKEJRGOWNGIHGA-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402060 1360401128 /nfs/dbraw/zinc/40/11/28/1360401128.db2.gz AKEJRGOWNGIHGA-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402060 1360401129 /nfs/dbraw/zinc/40/11/29/1360401129.db2.gz AKEJRGOWNGIHGA-OALUTQOASA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477926 1360460651 /nfs/dbraw/zinc/46/06/51/1360460651.db2.gz PKBVWFKNXAUKFK-QGZVFWFLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511279 1360482527 /nfs/dbraw/zinc/48/25/27/1360482527.db2.gz PNFDMMRDLIQGGI-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511279 1360482530 /nfs/dbraw/zinc/48/25/30/1360482530.db2.gz PNFDMMRDLIQGGI-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001089649636 1360562434 /nfs/dbraw/zinc/56/24/34/1360562434.db2.gz MBDZTZYGZGKDQI-RTBURBONSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649636 1360562436 /nfs/dbraw/zinc/56/24/36/1360562436.db2.gz MBDZTZYGZGKDQI-RTBURBONSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649636 1360562439 /nfs/dbraw/zinc/56/24/39/1360562439.db2.gz MBDZTZYGZGKDQI-RTBURBONSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664663 1360575279 /nfs/dbraw/zinc/57/52/79/1360575279.db2.gz OEHTWFXAFBWQBM-KRWDZBQOSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184683330 1387508024 /nfs/dbraw/zinc/50/80/24/1387508024.db2.gz HTNQADDYJDFYHL-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418275 1361793050 /nfs/dbraw/zinc/79/30/50/1361793050.db2.gz PFTXUTWCZNYLDL-QEUVDIPISA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418275 1361793051 /nfs/dbraw/zinc/79/30/51/1361793051.db2.gz PFTXUTWCZNYLDL-QEUVDIPISA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418275 1361793053 /nfs/dbraw/zinc/79/30/53/1361793053.db2.gz PFTXUTWCZNYLDL-QEUVDIPISA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001185090049 1387615715 /nfs/dbraw/zinc/61/57/15/1387615715.db2.gz IMESEHBZZYDJDR-RBUKOAKNSA-N 2 1 337.552 3.269 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069890 1363606606 /nfs/dbraw/zinc/60/66/06/1363606606.db2.gz OEIIPNGWZHXLOB-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099165661 1363666298 /nfs/dbraw/zinc/66/62/98/1363666298.db2.gz OWNHVCWFGIDLFI-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225406 1363701163 /nfs/dbraw/zinc/70/11/63/1363701163.db2.gz UHLYWYOLFXIVNQ-QZTJIDSGSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099228921 1363701867 /nfs/dbraw/zinc/70/18/67/1363701867.db2.gz CZKAITHZDYTDFL-ROUUACIJSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001100598932 1364182989 /nfs/dbraw/zinc/18/29/89/1364182989.db2.gz FVEVLIADSOGDQU-IOJLRTSASA-N 2 1 349.563 3.339 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185306348 1387677602 /nfs/dbraw/zinc/67/76/02/1387677602.db2.gz KRQDREJDFQERQB-HKUYNNGSSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001185315948 1387680496 /nfs/dbraw/zinc/68/04/96/1387680496.db2.gz ALRHYMIHQNPOTD-RBUKOAKNSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395700 1364544140 /nfs/dbraw/zinc/54/41/40/1364544140.db2.gz JQJVEQQAJJDPGR-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395700 1364544147 /nfs/dbraw/zinc/54/41/47/1364544147.db2.gz JQJVEQQAJJDPGR-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395700 1364544150 /nfs/dbraw/zinc/54/41/50/1364544150.db2.gz JQJVEQQAJJDPGR-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001101546663 1364610873 /nfs/dbraw/zinc/61/08/73/1364610873.db2.gz KTFZMBRTOYNAAA-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001101597737 1364648889 /nfs/dbraw/zinc/64/88/89/1364648889.db2.gz ZMXWDWRBLQYDQO-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984833 1364799935 /nfs/dbraw/zinc/79/99/35/1364799935.db2.gz NSTOWJZQPJOEDS-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984833 1364799939 /nfs/dbraw/zinc/79/99/39/1364799939.db2.gz NSTOWJZQPJOEDS-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102582938 1365124717 /nfs/dbraw/zinc/12/47/17/1365124717.db2.gz DIAAMCRABMJMSY-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001103756787 1365766874 /nfs/dbraw/zinc/76/68/74/1365766874.db2.gz AABSRONMPULWRN-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185750684 1387789717 /nfs/dbraw/zinc/78/97/17/1387789717.db2.gz LUGZHUZMYOITKZ-RTBURBONSA-N 2 1 339.568 3.371 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001104803200 1366179597 /nfs/dbraw/zinc/17/95/97/1366179597.db2.gz QLNGTWQKNBOMSO-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271320 1366640037 /nfs/dbraw/zinc/64/00/37/1366640037.db2.gz ASHSNCBFMMHSGE-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](CCC)CCC)[C@@H]2C1 ZINC001189771020 1367106026 /nfs/dbraw/zinc/10/60/26/1367106026.db2.gz GKADVPLXSAEDGD-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565125 1367202211 /nfs/dbraw/zinc/20/22/11/1367202211.db2.gz ARAFPRAHHYLELD-RDGPPVDQSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724432 1367293265 /nfs/dbraw/zinc/29/32/65/1367293265.db2.gz RZIYMVQDMNCPHP-QYZOEREBSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724432 1367293270 /nfs/dbraw/zinc/29/32/70/1367293270.db2.gz RZIYMVQDMNCPHP-QYZOEREBSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724432 1367293274 /nfs/dbraw/zinc/29/32/74/1367293274.db2.gz RZIYMVQDMNCPHP-QYZOEREBSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192905300 1367901728 /nfs/dbraw/zinc/90/17/28/1367901728.db2.gz DOFMUGXFPLCILA-OALUTQOASA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905300 1367901730 /nfs/dbraw/zinc/90/17/30/1367901730.db2.gz DOFMUGXFPLCILA-OALUTQOASA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905300 1367901736 /nfs/dbraw/zinc/90/17/36/1367901736.db2.gz DOFMUGXFPLCILA-OALUTQOASA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389733 1368017310 /nfs/dbraw/zinc/01/73/10/1368017310.db2.gz HEQHYWDYCDCKSU-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389733 1368017315 /nfs/dbraw/zinc/01/73/15/1368017315.db2.gz HEQHYWDYCDCKSU-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389733 1368017319 /nfs/dbraw/zinc/01/73/19/1368017319.db2.gz HEQHYWDYCDCKSU-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195866386 1368507248 /nfs/dbraw/zinc/50/72/48/1368507248.db2.gz ZUWMETZFUYGEJN-VQTJNVASSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195866386 1368507251 /nfs/dbraw/zinc/50/72/51/1368507251.db2.gz ZUWMETZFUYGEJN-VQTJNVASSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195866386 1368507252 /nfs/dbraw/zinc/50/72/52/1368507252.db2.gz ZUWMETZFUYGEJN-VQTJNVASSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111910554 1368551329 /nfs/dbraw/zinc/55/13/29/1368551329.db2.gz YNBGOFWUJXQULP-ICSRJNTNSA-N 2 1 337.552 3.269 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196200792 1368566845 /nfs/dbraw/zinc/56/68/45/1368566845.db2.gz PMXZFPFGMWUGFB-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196200792 1368566850 /nfs/dbraw/zinc/56/68/50/1368566850.db2.gz PMXZFPFGMWUGFB-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001196200792 1368566856 /nfs/dbraw/zinc/56/68/56/1368566856.db2.gz PMXZFPFGMWUGFB-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001196383048 1368603144 /nfs/dbraw/zinc/60/31/44/1368603144.db2.gz XVQJNCXPBCABJL-MRXNPFEDSA-N 2 1 340.471 3.145 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557650 1368927121 /nfs/dbraw/zinc/92/71/21/1368927121.db2.gz QYYIGMLHXMQUNZ-FPOVZHCZSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364334 1369017525 /nfs/dbraw/zinc/01/75/25/1369017525.db2.gz QPJVGNSSWZJXOX-IBGZPJMESA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364334 1369017530 /nfs/dbraw/zinc/01/75/30/1369017530.db2.gz QPJVGNSSWZJXOX-IBGZPJMESA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364334 1369017532 /nfs/dbraw/zinc/01/75/32/1369017532.db2.gz QPJVGNSSWZJXOX-IBGZPJMESA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364334 1369017539 /nfs/dbraw/zinc/01/75/39/1369017539.db2.gz QPJVGNSSWZJXOX-IBGZPJMESA-N 2 1 343.515 3.007 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578202 1369393588 /nfs/dbraw/zinc/39/35/88/1369393588.db2.gz OFXXRSIUMOUJEL-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001200893573 1369444854 /nfs/dbraw/zinc/44/48/54/1369444854.db2.gz FHNOOIJATNKDPK-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053833 1369472867 /nfs/dbraw/zinc/47/28/67/1369472867.db2.gz YYPIVXKZIRWUGI-FXAWDEMLSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507591 1370148714 /nfs/dbraw/zinc/14/87/14/1370148714.db2.gz TXGSYYHSSLVGAL-RTBURBONSA-N 2 1 349.563 3.482 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579277 1370583054 /nfs/dbraw/zinc/58/30/54/1370583054.db2.gz GCVPEVVJDCLNNZ-SFHVURJKSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483749 1370769528 /nfs/dbraw/zinc/76/95/28/1370769528.db2.gz PWJINQAYCPFBPU-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)CC[C@@H]1C[NH3+] ZINC001205627677 1370817951 /nfs/dbraw/zinc/81/79/51/1370817951.db2.gz RPYGFDCGERHOJV-CHWSQXEVSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)CC[C@@H]1C[NH3+] ZINC001205627677 1370817954 /nfs/dbraw/zinc/81/79/54/1370817954.db2.gz RPYGFDCGERHOJV-CHWSQXEVSA-N 2 1 336.277 3.128 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205761018 1370862420 /nfs/dbraw/zinc/86/24/20/1370862420.db2.gz ALPZRXQAWDFBCA-UHFFFAOYSA-N 2 1 335.536 3.045 20 30 EGEDMP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001206269326 1371009215 /nfs/dbraw/zinc/00/92/15/1371009215.db2.gz KJKOFWBHWWMPKX-KRWDZBQOSA-N 2 1 334.467 3.367 20 30 EGEDMP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C1 ZINC001206269326 1371009222 /nfs/dbraw/zinc/00/92/22/1371009222.db2.gz KJKOFWBHWWMPKX-KRWDZBQOSA-N 2 1 334.467 3.367 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988205 1371560803 /nfs/dbraw/zinc/56/08/03/1371560803.db2.gz JLLMBKJUHOOQRR-VQIMIIECSA-N 2 1 342.487 3.355 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208114610 1371600057 /nfs/dbraw/zinc/60/00/57/1371600057.db2.gz QJVIYMOYADDWLO-MISYRCLQSA-N 2 1 349.563 3.268 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422156 1371761607 /nfs/dbraw/zinc/76/16/07/1371761607.db2.gz ITGDQFJPLCXHSV-SJLPKXTDSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208422156 1371761612 /nfs/dbraw/zinc/76/16/12/1371761612.db2.gz ITGDQFJPLCXHSV-SJLPKXTDSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325642 1371937417 /nfs/dbraw/zinc/93/74/17/1371937417.db2.gz KCWNMVHLBGXFSX-UHFFFAOYSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250987 1372050692 /nfs/dbraw/zinc/05/06/92/1372050692.db2.gz LBQVUVKXLBVKJZ-GBESFXJTSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001121919356 1372122726 /nfs/dbraw/zinc/12/27/26/1372122726.db2.gz CKMRTPLIHYQGRZ-IHPCNDPISA-N 2 1 343.515 3.182 20 30 EGEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001121919365 1372123185 /nfs/dbraw/zinc/12/31/85/1372123185.db2.gz CKMRTPLIHYQGRZ-SXLOBPIMSA-N 2 1 343.515 3.182 20 30 EGEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001121978395 1372142419 /nfs/dbraw/zinc/14/24/19/1372142419.db2.gz NPXNKUOUXONVLY-HOJAQTOUSA-N 2 1 343.515 3.087 20 30 EGEDMP N#Cc1cc(Cl)cc(Cl)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265809 1372310677 /nfs/dbraw/zinc/31/06/77/1372310677.db2.gz CYWFKCKVXBDSDF-UHFFFAOYSA-N 2 1 348.237 3.413 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611157 1373089658 /nfs/dbraw/zinc/08/96/58/1373089658.db2.gz RLIXBUPJSAJRSU-GUDVDZBRSA-N 2 1 337.552 3.266 20 30 EGEDMP C[NH+](C)Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)cc1 ZINC001225331395 1375105106 /nfs/dbraw/zinc/10/51/06/1375105106.db2.gz CEFUZVCPIZFKFL-NRFANRHFSA-N 2 1 335.451 3.273 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001132513251 1375434047 /nfs/dbraw/zinc/43/40/47/1375434047.db2.gz QNFBNDQQVZOZJB-IEBWSBKVSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790561 1375566321 /nfs/dbraw/zinc/56/63/21/1375566321.db2.gz IGBITZJRWSADBO-LJQANCHMSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132942207 1375662615 /nfs/dbraw/zinc/66/26/15/1375662615.db2.gz YGNAPFRFBLOQAO-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001228852521 1375694786 /nfs/dbraw/zinc/69/47/86/1375694786.db2.gz IIZTZCOFLVOWFG-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C[N@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043609 1376561107 /nfs/dbraw/zinc/56/11/07/1376561107.db2.gz KVLYVACUZXJMGF-IBGZPJMESA-N 2 1 338.455 3.356 20 30 EGEDMP C[N@@H+](Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043609 1376561113 /nfs/dbraw/zinc/56/11/13/1376561113.db2.gz KVLYVACUZXJMGF-IBGZPJMESA-N 2 1 338.455 3.356 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076472 1376881819 /nfs/dbraw/zinc/88/18/19/1376881819.db2.gz BKOBMEVVTAJNFE-QZTJIDSGSA-N 2 1 337.552 3.480 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691779 1377185518 /nfs/dbraw/zinc/18/55/18/1377185518.db2.gz ZNAOGJVMEGTHJS-HOTGVXAUSA-N 2 1 331.932 3.124 20 30 EGEDMP C[NH+]1CCC(C2CC[NH+](Cc3cc(F)c(C#N)c(F)c3)CC2)CC1 ZINC001140753776 1378130889 /nfs/dbraw/zinc/13/08/89/1378130889.db2.gz LYOILVPCHXVJTA-UHFFFAOYSA-N 2 1 333.426 3.390 20 30 EGEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(Br)c(C#N)c3)C[C@H]2CC1 ZINC001275600665 1378145250 /nfs/dbraw/zinc/14/52/50/1378145250.db2.gz RSRIKUDSAKFSTO-GASCZTMLSA-N 2 1 348.288 3.094 20 30 EGEDMP Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cc(C#N)n(C)c4)C3)CC2)cc1 ZINC001279198491 1378301305 /nfs/dbraw/zinc/30/13/05/1378301305.db2.gz KXKUJCHWOFLMTC-UHFFFAOYSA-N 2 1 348.494 3.303 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001147465776 1379026425 /nfs/dbraw/zinc/02/64/25/1379026425.db2.gz ADTVHQHYQFDBFD-IBGZPJMESA-N 2 1 333.520 3.356 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153399913 1380070571 /nfs/dbraw/zinc/07/05/71/1380070571.db2.gz JEHFNHKVBDWOMH-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153399913 1380070574 /nfs/dbraw/zinc/07/05/74/1380070574.db2.gz JEHFNHKVBDWOMH-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153399913 1380070579 /nfs/dbraw/zinc/07/05/79/1380070579.db2.gz JEHFNHKVBDWOMH-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155238009 1380427905 /nfs/dbraw/zinc/42/79/05/1380427905.db2.gz UMDUKQYNQQTHEJ-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155238009 1380427907 /nfs/dbraw/zinc/42/79/07/1380427907.db2.gz UMDUKQYNQQTHEJ-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155238009 1380427904 /nfs/dbraw/zinc/42/79/04/1380427904.db2.gz UMDUKQYNQQTHEJ-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098603 1380775422 /nfs/dbraw/zinc/77/54/22/1380775422.db2.gz NYCWBIAKMNPXBP-LJQANCHMSA-N 2 1 337.552 3.435 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838998 1381917104 /nfs/dbraw/zinc/91/71/04/1381917104.db2.gz RNZHKODYOWUIEV-GOSISDBHSA-N 2 1 325.541 3.031 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160131776 1382009705 /nfs/dbraw/zinc/00/97/05/1382009705.db2.gz VJVPTPRYGFEVRI-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160359797 1382081944 /nfs/dbraw/zinc/08/19/44/1382081944.db2.gz BCCQLGQWDVAJCZ-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161029070 1382277076 /nfs/dbraw/zinc/27/70/76/1382277076.db2.gz LVGJJHMCRYHVOW-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161036774 1382279056 /nfs/dbraw/zinc/27/90/56/1382279056.db2.gz NUAOTLXXRRIROM-UHFFFAOYSA-N 2 1 337.552 3.437 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161490972 1382421005 /nfs/dbraw/zinc/42/10/05/1382421005.db2.gz FABGIJJRKCRQTR-LJQANCHMSA-N 2 1 335.536 3.067 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161946876 1382566319 /nfs/dbraw/zinc/56/63/19/1382566319.db2.gz JQZLLFXFRKMLIX-UHFFFAOYSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161946876 1382566329 /nfs/dbraw/zinc/56/63/29/1382566329.db2.gz JQZLLFXFRKMLIX-UHFFFAOYSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569384 1383311316 /nfs/dbraw/zinc/31/13/16/1383311316.db2.gz YFSLXXTYVBVACA-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458380 1383637900 /nfs/dbraw/zinc/63/79/00/1383637900.db2.gz DALHHROWMXEAJI-KRWDZBQOSA-N 2 1 346.519 3.203 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167635233 1383694243 /nfs/dbraw/zinc/69/42/43/1383694243.db2.gz LUMFOBCIAMOANK-SFHVURJKSA-N 2 1 325.541 3.316 20 30 EGEDMP C=CC[NH+]1CCN(C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168054812 1383806104 /nfs/dbraw/zinc/80/61/04/1383806104.db2.gz UGXMPTZDCQRCPX-OALUTQOASA-N 2 1 327.516 3.232 20 30 EGEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001168327020 1383874206 /nfs/dbraw/zinc/87/42/06/1383874206.db2.gz IWHRIAJSDUPXAK-QLOJAFMTSA-N 2 1 327.472 3.274 20 30 EGEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c2cc(C)ccc12 ZINC001171075476 1384441582 /nfs/dbraw/zinc/44/15/82/1384441582.db2.gz VXZHRSWVNBASAZ-INIZCTEOSA-N 2 1 327.428 3.182 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537460 1384555779 /nfs/dbraw/zinc/55/57/79/1384555779.db2.gz CUYCQTGFWKVXMK-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970374 1384698637 /nfs/dbraw/zinc/69/86/37/1384698637.db2.gz CDFXPILKZXKLOS-LJQANCHMSA-N 2 1 343.515 3.102 20 30 EGEDMP C[NH+]1CCC(C#N)(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171977559 1384701919 /nfs/dbraw/zinc/70/19/19/1384701919.db2.gz FYURPCYRVQAVOR-IBGZPJMESA-N 2 1 340.515 3.007 20 30 EGEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001172495368 1384804978 /nfs/dbraw/zinc/80/49/78/1384804978.db2.gz PPJXLVCQSYCTGQ-QGZVFWFLSA-N 2 1 347.528 3.497 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174881655 1385164614 /nfs/dbraw/zinc/16/46/14/1385164614.db2.gz LLNDXAATDRFSQX-OALUTQOASA-N 2 1 337.552 3.339 20 30 EGEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882915 1385164857 /nfs/dbraw/zinc/16/48/57/1385164857.db2.gz YMLNOUBXEUHVRP-AZUAARDMSA-N 2 1 347.547 3.071 20 30 EGEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882641 1385165011 /nfs/dbraw/zinc/16/50/11/1385165011.db2.gz VERGLPLWOQYRAB-QUCCMNQESA-N 2 1 347.547 3.071 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001177317203 1385911170 /nfs/dbraw/zinc/91/11/70/1385911170.db2.gz QKFAKDLSODDFNV-VQTJNVASSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001177348404 1385923358 /nfs/dbraw/zinc/92/33/58/1385923358.db2.gz GUJASHFILCZIII-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484578 1386231627 /nfs/dbraw/zinc/23/16/27/1386231627.db2.gz VJTKBRJNUYBLLD-RBUKOAKNSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001180035924 1386676052 /nfs/dbraw/zinc/67/60/52/1386676052.db2.gz ZPQPDYHHWTXVGB-LJQANCHMSA-N 2 1 337.552 3.483 20 30 EGEDMP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480320440 1392681087 /nfs/dbraw/zinc/68/10/87/1392681087.db2.gz VEQYXYXLSXDNKQ-OALUTQOASA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480320440 1392681089 /nfs/dbraw/zinc/68/10/89/1392681089.db2.gz VEQYXYXLSXDNKQ-OALUTQOASA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480320440 1392681090 /nfs/dbraw/zinc/68/10/90/1392681090.db2.gz VEQYXYXLSXDNKQ-OALUTQOASA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480320440 1392681091 /nfs/dbraw/zinc/68/10/91/1392681091.db2.gz VEQYXYXLSXDNKQ-OALUTQOASA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753332153 1440370251 /nfs/dbraw/zinc/37/02/51/1440370251.db2.gz JBXUWUINDCDDKT-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753332153 1440370252 /nfs/dbraw/zinc/37/02/52/1440370252.db2.gz JBXUWUINDCDDKT-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753332153 1440370253 /nfs/dbraw/zinc/37/02/53/1440370253.db2.gz JBXUWUINDCDDKT-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753445100 1440403396 /nfs/dbraw/zinc/40/33/96/1440403396.db2.gz FVCRCFUGGAVPTM-FXAWDEMLSA-N 2 1 343.515 3.249 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001754543592 1440626719 /nfs/dbraw/zinc/62/67/19/1440626719.db2.gz MGWBIJNCMLPMSV-MOPGFXCFSA-N 2 1 335.536 3.118 20 30 EGEDMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001754548533 1440628975 /nfs/dbraw/zinc/62/89/75/1440628975.db2.gz VBOGRXYMAACIFW-FQEVSTJZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001754548533 1440628976 /nfs/dbraw/zinc/62/89/76/1440628976.db2.gz VBOGRXYMAACIFW-FQEVSTJZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001754548533 1440628977 /nfs/dbraw/zinc/62/89/77/1440628977.db2.gz VBOGRXYMAACIFW-FQEVSTJZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001754549135 1440629197 /nfs/dbraw/zinc/62/91/97/1440629197.db2.gz SMMKAIOTYYXCOU-UHFFFAOYSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001754549135 1440629198 /nfs/dbraw/zinc/62/91/98/1440629198.db2.gz SMMKAIOTYYXCOU-UHFFFAOYSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001754549135 1440629199 /nfs/dbraw/zinc/62/91/99/1440629199.db2.gz SMMKAIOTYYXCOU-UHFFFAOYSA-N 2 1 349.563 3.243 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001754567682 1440636481 /nfs/dbraw/zinc/63/64/81/1440636481.db2.gz RJMGAUQAKJCYDB-PZJWPPBQSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001754567682 1440636482 /nfs/dbraw/zinc/63/64/82/1440636482.db2.gz RJMGAUQAKJCYDB-PZJWPPBQSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001754567682 1440636483 /nfs/dbraw/zinc/63/64/83/1440636483.db2.gz RJMGAUQAKJCYDB-PZJWPPBQSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001754578962 1440638254 /nfs/dbraw/zinc/63/82/54/1440638254.db2.gz YUIBTXBNTSIVPW-IEBWSBKVSA-N 2 1 335.536 3.116 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001754578962 1440638255 /nfs/dbraw/zinc/63/82/55/1440638255.db2.gz YUIBTXBNTSIVPW-IEBWSBKVSA-N 2 1 335.536 3.116 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754582159 1440638915 /nfs/dbraw/zinc/63/89/15/1440638915.db2.gz NGRRMWIRRHTLMI-YLJYHZDGSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754928825 1440710233 /nfs/dbraw/zinc/71/02/33/1440710233.db2.gz YZCUHIMYSPPQJU-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001755167017 1440767489 /nfs/dbraw/zinc/76/74/89/1440767489.db2.gz JUCYKYSIFPNUCD-YLJYHZDGSA-N 2 1 343.515 3.297 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000274810016 201271667 /nfs/dbraw/zinc/27/16/67/201271667.db2.gz HOLDGLYGICWUBC-WTNAPCKOSA-N 2 1 349.478 3.092 20 30 EGEDMP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156909292 205139200 /nfs/dbraw/zinc/13/92/00/205139200.db2.gz BUVMYAHWFSVVQH-UWVAXJGDSA-N 2 1 343.515 3.074 20 30 EGEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000268558887 252022432 /nfs/dbraw/zinc/02/24/32/252022432.db2.gz OPZTYVTWDNWBGQ-SFHVURJKSA-N 2 1 327.472 3.276 20 30 EGEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000268558887 252022433 /nfs/dbraw/zinc/02/24/33/252022433.db2.gz OPZTYVTWDNWBGQ-SFHVURJKSA-N 2 1 327.472 3.276 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000341124614 155176258 /nfs/dbraw/zinc/17/62/58/155176258.db2.gz MDHKKPBYQJZWPW-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP COc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc1C#N ZINC000281805109 266825314 /nfs/dbraw/zinc/82/53/14/266825314.db2.gz VPEQOHUSRCBUIH-UHFFFAOYSA-N 2 1 327.472 3.311 20 30 EGEDMP C[N@H+](CCOc1ccccc1C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383094551 324255313 /nfs/dbraw/zinc/25/53/13/324255313.db2.gz XRJPDDYWPPYBCL-FQEVSTJZSA-N 2 1 349.478 3.391 20 30 EGEDMP C[N@@H+](CCOc1ccccc1C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000383094551 324255316 /nfs/dbraw/zinc/25/53/16/324255316.db2.gz XRJPDDYWPPYBCL-FQEVSTJZSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1ccccc1C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000383094551 324255319 /nfs/dbraw/zinc/25/53/19/324255319.db2.gz XRJPDDYWPPYBCL-FQEVSTJZSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1ccccc1C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383094551 324255325 /nfs/dbraw/zinc/25/53/25/324255325.db2.gz XRJPDDYWPPYBCL-FQEVSTJZSA-N 2 1 349.478 3.391 20 30 EGEDMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000090004355 454259886 /nfs/dbraw/zinc/25/98/86/454259886.db2.gz POUPYPBTISXONG-KRWDZBQOSA-N 2 1 327.859 3.380 20 30 EGEDMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000090004355 454259891 /nfs/dbraw/zinc/25/98/91/454259891.db2.gz POUPYPBTISXONG-KRWDZBQOSA-N 2 1 327.859 3.380 20 30 EGEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000064614598 454493993 /nfs/dbraw/zinc/49/39/93/454493993.db2.gz JMGMNSGHZDDMDZ-GOSISDBHSA-N 2 1 345.487 3.199 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000048816786 454518355 /nfs/dbraw/zinc/51/83/55/454518355.db2.gz BFUNZJBQBJZNFQ-HDICACEKSA-N 2 1 349.478 3.457 20 30 EGEDMP CN(c1ccccc1C[N@H+](CCC#N)CC1CC1)C1CC[NH+](C)CC1 ZINC000093091454 454681271 /nfs/dbraw/zinc/68/12/71/454681271.db2.gz AGXRFYBDAQTAMB-UHFFFAOYSA-N 2 1 340.515 3.343 20 30 EGEDMP CN(c1ccccc1C[N@@H+](CCC#N)CC1CC1)C1CC[NH+](C)CC1 ZINC000093091454 454681276 /nfs/dbraw/zinc/68/12/76/454681276.db2.gz AGXRFYBDAQTAMB-UHFFFAOYSA-N 2 1 340.515 3.343 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000152975906 454749205 /nfs/dbraw/zinc/74/92/05/454749205.db2.gz HUHUTWWDWSZXMW-KRWDZBQOSA-N 2 1 332.488 3.403 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000152983272 454749858 /nfs/dbraw/zinc/74/98/58/454749858.db2.gz ZIYCPFSZYYDYOW-HNNXBMFYSA-N 2 1 348.487 3.404 20 30 EGEDMP CCN1CCC([N@@H+](C)Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000125274543 454810056 /nfs/dbraw/zinc/81/00/56/454810056.db2.gz RSKGKTRPSHZFIM-UHFFFAOYSA-N 2 1 345.487 3.294 20 30 EGEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000171306847 455060225 /nfs/dbraw/zinc/06/02/25/455060225.db2.gz DEYCAYMIWGRBID-HOTGVXAUSA-N 2 1 345.462 3.019 20 30 EGEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000156528395 455128350 /nfs/dbraw/zinc/12/83/50/455128350.db2.gz GXMPPJFRTXFGLG-IBGZPJMESA-N 2 1 327.472 3.135 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000264098780 455190330 /nfs/dbraw/zinc/19/03/30/455190330.db2.gz MIANSBDXFGYHHQ-KRWDZBQOSA-N 2 1 342.443 3.242 20 30 EGEDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000181616104 455362963 /nfs/dbraw/zinc/36/29/63/455362963.db2.gz ICVYFENZFSOZGS-KSZLIROESA-N 2 1 345.487 3.129 20 30 EGEDMP C[C@H]([NH2+]CCOc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185723518 455606649 /nfs/dbraw/zinc/60/66/49/455606649.db2.gz GTVQGYJATZHZBU-FUHWJXTLSA-N 2 1 327.472 3.180 20 30 EGEDMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C#N ZINC000281579923 456269865 /nfs/dbraw/zinc/26/98/65/456269865.db2.gz DFIDUKSSTFMEQT-FQEVSTJZSA-N 2 1 349.478 3.221 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000303003500 456441500 /nfs/dbraw/zinc/44/15/00/456441500.db2.gz IHTQMYRBHNIKLA-HXUWFJFHSA-N 2 1 341.499 3.381 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000303003500 456441510 /nfs/dbraw/zinc/44/15/10/456441510.db2.gz IHTQMYRBHNIKLA-HXUWFJFHSA-N 2 1 341.499 3.381 20 30 EGEDMP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000373870842 457377651 /nfs/dbraw/zinc/37/76/51/457377651.db2.gz XXOULUIKSVAHFU-GHTZIAJQSA-N 2 1 346.490 3.403 20 30 EGEDMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868676 457394082 /nfs/dbraw/zinc/39/40/82/457394082.db2.gz AFMKSWHIABQMRX-UWJYYQICSA-N 2 1 341.499 3.416 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000373126313 458404645 /nfs/dbraw/zinc/40/46/45/458404645.db2.gz PJSLXMRVHDOUCH-NRFANRHFSA-N 2 1 341.499 3.110 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560546046 459371141 /nfs/dbraw/zinc/37/11/41/459371141.db2.gz SKBUTMHPGMPCKV-MYGLTJDJSA-N 2 1 342.527 3.451 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC000582734188 459417830 /nfs/dbraw/zinc/41/78/30/459417830.db2.gz UHZFUVQFLUULOL-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000595905406 459481888 /nfs/dbraw/zinc/48/18/88/459481888.db2.gz NPAATMFNMSQUMN-UHFFFAOYSA-N 2 1 349.482 3.128 20 30 EGEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000486789861 459519293 /nfs/dbraw/zinc/51/92/93/459519293.db2.gz DDZKHTIYFCTGTH-IBGZPJMESA-N 2 1 343.515 3.420 20 30 EGEDMP N#CC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000597174282 459862477 /nfs/dbraw/zinc/86/24/77/459862477.db2.gz OPECJVFHNURYAF-GOSISDBHSA-N 2 1 327.472 3.287 20 30 EGEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000598593861 459958067 /nfs/dbraw/zinc/95/80/67/459958067.db2.gz XPWOLXPYONZOBN-HOJAQTOUSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000598593861 459958074 /nfs/dbraw/zinc/95/80/74/459958074.db2.gz XPWOLXPYONZOBN-HOJAQTOUSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000598593861 459958078 /nfs/dbraw/zinc/95/80/78/459958078.db2.gz XPWOLXPYONZOBN-HOJAQTOUSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000598593861 459958083 /nfs/dbraw/zinc/95/80/83/459958083.db2.gz XPWOLXPYONZOBN-HOJAQTOUSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC000598724184 460007698 /nfs/dbraw/zinc/00/76/98/460007698.db2.gz JDXYSULLRRHISW-YZGWKJHDSA-N 2 1 343.515 3.177 20 30 EGEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000598728747 460008290 /nfs/dbraw/zinc/00/82/90/460008290.db2.gz VFHYUIBCHAQFRT-VQTJNVASSA-N 2 1 343.515 3.179 20 30 EGEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000262505054 1296636719 /nfs/dbraw/zinc/63/67/19/1296636719.db2.gz BDNVWNZKHFGVIU-HLLBOEOZSA-N 2 1 334.533 3.178 20 30 EGEDMP CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303887254 1296867545 /nfs/dbraw/zinc/86/75/45/1296867545.db2.gz OIJLYPZAZXAEAZ-INIZCTEOSA-N 2 1 336.549 3.445 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)cc1Cl ZINC000303889623 1296872415 /nfs/dbraw/zinc/87/24/15/1296872415.db2.gz PPFCOVNUZHFGLC-CYBMUJFWSA-N 2 1 338.883 3.196 20 30 EGEDMP CC[C@@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000305034505 1296953996 /nfs/dbraw/zinc/95/39/96/1296953996.db2.gz SBJVFCXUMIXQHV-SJLPKXTDSA-N 2 1 346.519 3.061 20 30 EGEDMP C[C@]1(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000311840346 1297110737 /nfs/dbraw/zinc/11/07/37/1297110737.db2.gz UFHUUMGMUXKREG-FGZHOGPDSA-N 2 1 349.478 3.093 20 30 EGEDMP C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311739115 1297111399 /nfs/dbraw/zinc/11/13/99/1297111399.db2.gz AZYYRGUFAMMQDX-BULFRSBZSA-N 2 1 349.478 3.092 20 30 EGEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000763231614 1301852812 /nfs/dbraw/zinc/85/28/12/1301852812.db2.gz OLYUQQCOEMEADF-JOCHJYFZSA-N 2 1 349.478 3.154 20 30 EGEDMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902745993 1317611328 /nfs/dbraw/zinc/61/13/28/1317611328.db2.gz YIBRLOYSCUCZOO-HXUWFJFHSA-N 2 1 328.504 3.017 20 30 EGEDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000902816058 1317619373 /nfs/dbraw/zinc/61/93/73/1317619373.db2.gz NPKCSIFFDDKFGO-YADHBBJMSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000902816058 1317619380 /nfs/dbraw/zinc/61/93/80/1317619380.db2.gz NPKCSIFFDDKFGO-YADHBBJMSA-N 2 1 349.478 3.236 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903091806 1317649980 /nfs/dbraw/zinc/64/99/80/1317649980.db2.gz AYCDNMSAVMCFCD-OAHLLOKOSA-N 2 1 337.508 3.062 20 30 EGEDMP CCC[N@H+]1CC[C@H](C[NH+]=C(NCCc2ccccc2)NC(C)(C)C)C1 ZINC000912507129 1318894761 /nfs/dbraw/zinc/89/47/61/1318894761.db2.gz VOIDSKUETDYSMW-LJQANCHMSA-N 2 1 344.547 3.295 20 30 EGEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000817919531 1319459262 /nfs/dbraw/zinc/45/92/62/1319459262.db2.gz SOODYRHRINOCIS-OZOXKJRCSA-N 2 1 337.467 3.416 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961401681 1319558627 /nfs/dbraw/zinc/55/86/27/1319558627.db2.gz NITRAVYPXFDCOL-WOJBJXKFSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552292 1319662389 /nfs/dbraw/zinc/66/23/89/1319662389.db2.gz CQMWANNKNXRJSU-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552292 1319662396 /nfs/dbraw/zinc/66/23/96/1319662396.db2.gz CQMWANNKNXRJSU-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552292 1319662409 /nfs/dbraw/zinc/66/24/09/1319662409.db2.gz CQMWANNKNXRJSU-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001027699471 1328113384 /nfs/dbraw/zinc/11/33/84/1328113384.db2.gz DJOUXUSLVDGTQR-QGZVFWFLSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876984 1336076145 /nfs/dbraw/zinc/07/61/45/1336076145.db2.gz NCFBSGBOJWFBJX-KRWDZBQOSA-N 2 1 349.544 3.360 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876984 1336076147 /nfs/dbraw/zinc/07/61/47/1336076147.db2.gz NCFBSGBOJWFBJX-KRWDZBQOSA-N 2 1 349.544 3.360 20 30 EGEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969002614 1336115412 /nfs/dbraw/zinc/11/54/12/1336115412.db2.gz YQNPITSHMAOLAJ-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002614 1336115414 /nfs/dbraw/zinc/11/54/14/1336115414.db2.gz YQNPITSHMAOLAJ-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002614 1336115416 /nfs/dbraw/zinc/11/54/16/1336115416.db2.gz YQNPITSHMAOLAJ-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@H]1C[NH3+] ZINC001206004133 1370935785 /nfs/dbraw/zinc/93/57/85/1370935785.db2.gz QPCQKGXBJDVLRS-STQMWFEESA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@H]1C[NH3+] ZINC001206004133 1370935787 /nfs/dbraw/zinc/93/57/87/1370935787.db2.gz QPCQKGXBJDVLRS-STQMWFEESA-N 2 1 336.277 3.128 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924233 1338771723 /nfs/dbraw/zinc/77/17/23/1338771723.db2.gz SISRAOSYTBXJGQ-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001017618648 1339377990 /nfs/dbraw/zinc/37/79/90/1339377990.db2.gz TXJFPLRKCHTTMZ-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001017618648 1339377992 /nfs/dbraw/zinc/37/79/92/1339377992.db2.gz TXJFPLRKCHTTMZ-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001017618648 1339377993 /nfs/dbraw/zinc/37/79/93/1339377993.db2.gz TXJFPLRKCHTTMZ-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251455 1342347758 /nfs/dbraw/zinc/34/77/58/1342347758.db2.gz ZIMAZISFGNQGBH-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251455 1342347761 /nfs/dbraw/zinc/34/77/61/1342347761.db2.gz ZIMAZISFGNQGBH-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251455 1342347763 /nfs/dbraw/zinc/34/77/63/1342347763.db2.gz ZIMAZISFGNQGBH-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583256 1347605523 /nfs/dbraw/zinc/60/55/23/1347605523.db2.gz IGKOWUNDPPSXFT-FSGKZVOOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763708 1348008820 /nfs/dbraw/zinc/00/88/20/1348008820.db2.gz XOJGXFSFGWQABE-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763708 1348008823 /nfs/dbraw/zinc/00/88/23/1348008823.db2.gz XOJGXFSFGWQABE-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958100 1358354973 /nfs/dbraw/zinc/35/49/73/1358354973.db2.gz LBXPEGUSWGSLJY-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958100 1358354977 /nfs/dbraw/zinc/35/49/77/1358354977.db2.gz LBXPEGUSWGSLJY-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958100 1358354981 /nfs/dbraw/zinc/35/49/81/1358354981.db2.gz LBXPEGUSWGSLJY-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049661 1358377999 /nfs/dbraw/zinc/37/79/99/1358377999.db2.gz QSXBDAWFNIJBIN-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049661 1358378000 /nfs/dbraw/zinc/37/80/00/1358378000.db2.gz QSXBDAWFNIJBIN-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049661 1358378004 /nfs/dbraw/zinc/37/80/04/1358378004.db2.gz QSXBDAWFNIJBIN-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921663 1359248371 /nfs/dbraw/zinc/24/83/71/1359248371.db2.gz WBZIPJMSRMERNB-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927755 1359252716 /nfs/dbraw/zinc/25/27/16/1359252716.db2.gz LFYMMMLUHWIZPF-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327242 1359831470 /nfs/dbraw/zinc/83/14/70/1359831470.db2.gz IOICIZBTUPORDI-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094528889 1361845902 /nfs/dbraw/zinc/84/59/02/1361845902.db2.gz AEMUQHNBLJYPDO-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528889 1361845908 /nfs/dbraw/zinc/84/59/08/1361845908.db2.gz AEMUQHNBLJYPDO-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094528889 1361845912 /nfs/dbraw/zinc/84/59/12/1361845912.db2.gz AEMUQHNBLJYPDO-SFHLNBCPSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168069 1387631685 /nfs/dbraw/zinc/63/16/85/1387631685.db2.gz GAAQDDDTUOXBIV-ZWKOTPCHSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001099130408 1363642540 /nfs/dbraw/zinc/64/25/40/1363642540.db2.gz LYBCUMOGHXOJSD-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001099153924 1363660101 /nfs/dbraw/zinc/66/01/01/1363660101.db2.gz QDVJIAZCIJKHNI-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099240578 1363709290 /nfs/dbraw/zinc/70/92/90/1363709290.db2.gz SOHOQLJHFMUBKG-QGZVFWFLSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099240578 1363709293 /nfs/dbraw/zinc/70/92/93/1363709293.db2.gz SOHOQLJHFMUBKG-QGZVFWFLSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099240578 1363709297 /nfs/dbraw/zinc/70/92/97/1363709297.db2.gz SOHOQLJHFMUBKG-QGZVFWFLSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CCC ZINC001099321014 1363748054 /nfs/dbraw/zinc/74/80/54/1363748054.db2.gz NZRGHVNPVULOAO-INIZCTEOSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321014 1363748056 /nfs/dbraw/zinc/74/80/56/1363748056.db2.gz NZRGHVNPVULOAO-INIZCTEOSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321014 1363748058 /nfs/dbraw/zinc/74/80/58/1363748058.db2.gz NZRGHVNPVULOAO-INIZCTEOSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321014 1363748060 /nfs/dbraw/zinc/74/80/60/1363748060.db2.gz NZRGHVNPVULOAO-INIZCTEOSA-N 2 1 343.943 3.078 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100332528 1364082094 /nfs/dbraw/zinc/08/20/94/1364082094.db2.gz FOMGEQJRNOBQFH-XBMUEBEBSA-N 2 1 347.547 3.092 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001185315949 1387680300 /nfs/dbraw/zinc/68/03/00/1387680300.db2.gz ALRHYMIHQNPOTD-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001101267845 1364492515 /nfs/dbraw/zinc/49/25/15/1364492515.db2.gz VBOLZZYTYHKOTQ-DYXWJJEUSA-N 2 1 349.563 3.077 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001101550547 1364613202 /nfs/dbraw/zinc/61/32/02/1364613202.db2.gz NSPGVONAQQSIBU-RBUKOAKNSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086852 1365374222 /nfs/dbraw/zinc/37/42/22/1365374222.db2.gz UCJBHMWUBDOYCZ-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086852 1365374225 /nfs/dbraw/zinc/37/42/25/1365374225.db2.gz UCJBHMWUBDOYCZ-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086852 1365374226 /nfs/dbraw/zinc/37/42/26/1365374226.db2.gz UCJBHMWUBDOYCZ-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001103140070 1365403302 /nfs/dbraw/zinc/40/33/02/1365403302.db2.gz LSSZVEZTYVOFAU-GUDVDZBRSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185546395 1387744312 /nfs/dbraw/zinc/74/43/12/1387744312.db2.gz BKYKWKNOHXPGIX-RBUKOAKNSA-N 2 1 339.568 3.373 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533853 1365617737 /nfs/dbraw/zinc/61/77/37/1365617737.db2.gz FWQJOTCWYOLQAE-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533853 1365617739 /nfs/dbraw/zinc/61/77/39/1365617739.db2.gz FWQJOTCWYOLQAE-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534119 1365618419 /nfs/dbraw/zinc/61/84/19/1365618419.db2.gz SXHKOXNFTRNEKN-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103534119 1365618422 /nfs/dbraw/zinc/61/84/22/1365618422.db2.gz SXHKOXNFTRNEKN-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644504 1365698363 /nfs/dbraw/zinc/69/83/63/1365698363.db2.gz CKXVIMCJQFHYTD-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103644504 1365698368 /nfs/dbraw/zinc/69/83/68/1365698368.db2.gz CKXVIMCJQFHYTD-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103644504 1365698371 /nfs/dbraw/zinc/69/83/71/1365698371.db2.gz CKXVIMCJQFHYTD-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755423 1365766292 /nfs/dbraw/zinc/76/62/92/1365766292.db2.gz GORAVSGFSRHERG-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543952 1367035162 /nfs/dbraw/zinc/03/51/62/1367035162.db2.gz FQUUOPNOXIJQSE-QKNQBKEWSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109408188 1367108389 /nfs/dbraw/zinc/10/83/89/1367108389.db2.gz KNZPFQYQSOXZQL-QYZOEREBSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109408188 1367108393 /nfs/dbraw/zinc/10/83/93/1367108393.db2.gz KNZPFQYQSOXZQL-QYZOEREBSA-N 2 1 335.536 3.163 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001109520610 1367174765 /nfs/dbraw/zinc/17/47/65/1367174765.db2.gz VBQSSXLIJPGYCC-JZGRTCEGSA-N 2 1 338.455 3.024 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860266 1367364290 /nfs/dbraw/zinc/36/42/90/1367364290.db2.gz UACZMJLGVVMJEH-XWSJACJDSA-N 2 1 335.536 3.041 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191061894 1367414736 /nfs/dbraw/zinc/41/47/36/1367414736.db2.gz NIRHBKLMXVPKRB-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191061894 1367414738 /nfs/dbraw/zinc/41/47/38/1367414738.db2.gz NIRHBKLMXVPKRB-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191061894 1367414742 /nfs/dbraw/zinc/41/47/42/1367414742.db2.gz NIRHBKLMXVPKRB-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108802568 1367604753 /nfs/dbraw/zinc/60/47/53/1367604753.db2.gz GBDBDRTYVZJGSE-FHWLQOOXSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498701 1368046293 /nfs/dbraw/zinc/04/62/93/1368046293.db2.gz HGDWKHMXBKLYOG-QGZVFWFLSA-N 2 1 346.519 3.264 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071964 1368178564 /nfs/dbraw/zinc/17/85/64/1368178564.db2.gz KKZVXCMGILOXRS-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245756 1368216636 /nfs/dbraw/zinc/21/66/36/1368216636.db2.gz DRZHSXGRFYHYSH-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194247337 1368217104 /nfs/dbraw/zinc/21/71/04/1368217104.db2.gz WWFXVZWXBWSRRU-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778583 1368457201 /nfs/dbraw/zinc/45/72/01/1368457201.db2.gz FYAICCLMHMXIQH-RXVVDRJESA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778583 1368457205 /nfs/dbraw/zinc/45/72/05/1368457205.db2.gz FYAICCLMHMXIQH-RXVVDRJESA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855874 1368508836 /nfs/dbraw/zinc/50/88/36/1368508836.db2.gz QFWQUIYWJVPUHV-RXVVDRJESA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195901323 1368512474 /nfs/dbraw/zinc/51/24/74/1368512474.db2.gz YWTFQFJFPICOJU-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195901323 1368512478 /nfs/dbraw/zinc/51/24/78/1368512478.db2.gz YWTFQFJFPICOJU-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195901323 1368512488 /nfs/dbraw/zinc/51/24/88/1368512488.db2.gz YWTFQFJFPICOJU-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111870814 1368518439 /nfs/dbraw/zinc/51/84/39/1368518439.db2.gz OLBPZQDVAUFVIP-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870814 1368518442 /nfs/dbraw/zinc/51/84/42/1368518442.db2.gz OLBPZQDVAUFVIP-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870814 1368518445 /nfs/dbraw/zinc/51/84/45/1368518445.db2.gz OLBPZQDVAUFVIP-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001196163385 1368559497 /nfs/dbraw/zinc/55/94/97/1368559497.db2.gz NBBFUBSUIQGSME-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163385 1368559499 /nfs/dbraw/zinc/55/94/99/1368559499.db2.gz NBBFUBSUIQGSME-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001196163385 1368559501 /nfs/dbraw/zinc/55/95/01/1368559501.db2.gz NBBFUBSUIQGSME-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001196275727 1368581405 /nfs/dbraw/zinc/58/14/05/1368581405.db2.gz MTFYICXYGULGKW-VQTJNVASSA-N 2 1 347.547 3.284 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353349 1368784679 /nfs/dbraw/zinc/78/46/79/1368784679.db2.gz CWRSTJVNQZDVMT-ZJOUEHCJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156395 1369702787 /nfs/dbraw/zinc/70/27/87/1369702787.db2.gz DSCQMEMCBMRPHB-HXUWFJFHSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203026974 1369959171 /nfs/dbraw/zinc/95/91/71/1369959171.db2.gz BDPNMBZYFGCGDZ-RBUKOAKNSA-N 2 1 349.563 3.458 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576443 1370176733 /nfs/dbraw/zinc/17/67/33/1370176733.db2.gz DJOSLOWKKQMREB-ZWKOTPCHSA-N 2 1 337.552 3.316 20 30 EGEDMP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]3C2)cc1 ZINC001203902682 1370307445 /nfs/dbraw/zinc/30/74/45/1370307445.db2.gz KBHBWLCARRHSCT-VXKWHMMOSA-N 2 1 331.463 3.431 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115301935 1370368449 /nfs/dbraw/zinc/36/84/49/1370368449.db2.gz KSOZOTPQQYWUCK-NMLBUPMWSA-N 2 1 349.563 3.124 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115301933 1370368562 /nfs/dbraw/zinc/36/85/62/1370368562.db2.gz KSOZOTPQQYWUCK-FUMNGEBKSA-N 2 1 349.563 3.124 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535471 1370531840 /nfs/dbraw/zinc/53/18/40/1370531840.db2.gz XIEYLBGYVIZPEI-GOSISDBHSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC001115538507 1370535680 /nfs/dbraw/zinc/53/56/80/1370535680.db2.gz LIOPLLKSZJQOHP-SFHVURJKSA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205586549 1370802200 /nfs/dbraw/zinc/80/22/00/1370802200.db2.gz XGPMKAWXHSZZAG-UHFFFAOYSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682644 1371473671 /nfs/dbraw/zinc/47/36/71/1371473671.db2.gz RZPOQQQJOPLEOM-RTBURBONSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001207868295 1371525686 /nfs/dbraw/zinc/52/56/86/1371525686.db2.gz PXKARBLHOFDXFU-VQIMIIECSA-N 2 1 342.487 3.355 20 30 EGEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001208112652 1371598746 /nfs/dbraw/zinc/59/87/46/1371598746.db2.gz WIIVEDHBTHCUGQ-LJQANCHMSA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163152 1371613513 /nfs/dbraw/zinc/61/35/13/1371613513.db2.gz DFPHSTSEOWJOJJ-FGTMMUONSA-N 2 1 335.536 3.042 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121295032 1371926518 /nfs/dbraw/zinc/92/65/18/1371926518.db2.gz MDSUNQAFCJIEGA-FCOWATRHSA-N 2 1 349.563 3.458 20 30 EGEDMP C=CCCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001209202705 1372036434 /nfs/dbraw/zinc/03/64/34/1372036434.db2.gz NZMMTNFNUJOOPH-UHFFFAOYSA-N 2 1 343.515 3.352 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209233141 1372045605 /nfs/dbraw/zinc/04/56/05/1372045605.db2.gz OJNWMILQUXFGBR-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C#CCCC[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3cccs3)CO2)CC1 ZINC001209262874 1372053891 /nfs/dbraw/zinc/05/38/91/1372053891.db2.gz BGJKIXYCIZDHCM-QGZVFWFLSA-N 2 1 332.513 3.217 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001187857961 1388178509 /nfs/dbraw/zinc/17/85/09/1388178509.db2.gz WFSYRJPUDMNKFW-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857961 1388178513 /nfs/dbraw/zinc/17/85/13/1388178513.db2.gz WFSYRJPUDMNKFW-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001187857961 1388178517 /nfs/dbraw/zinc/17/85/17/1388178517.db2.gz WFSYRJPUDMNKFW-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211256970 1372513420 /nfs/dbraw/zinc/51/34/20/1372513420.db2.gz NMBQNXOIUZLCPR-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150967 1375171476 /nfs/dbraw/zinc/17/14/76/1375171476.db2.gz ZWPGKZBDMITBJD-RTBURBONSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202182 1375205855 /nfs/dbraw/zinc/20/58/55/1375205855.db2.gz DLCPDWXMYJGNAD-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132440728 1375385552 /nfs/dbraw/zinc/38/55/52/1375385552.db2.gz FDANSWUGJCDOOO-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132440728 1375385557 /nfs/dbraw/zinc/38/55/57/1375385557.db2.gz FDANSWUGJCDOOO-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132440728 1375385562 /nfs/dbraw/zinc/38/55/62/1375385562.db2.gz FDANSWUGJCDOOO-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001229653416 1375872658 /nfs/dbraw/zinc/87/26/58/1375872658.db2.gz ZEDQPEZFQFAKAJ-AQNXPRMDSA-N 2 1 343.515 3.273 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)c(O)c1 ZINC001233386746 1376633327 /nfs/dbraw/zinc/63/33/27/1376633327.db2.gz HHTXOCVJCZWPCJ-UHFFFAOYSA-N 2 1 347.462 3.362 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791843 1376724927 /nfs/dbraw/zinc/72/49/27/1376724927.db2.gz WIVARIHLLVZYMK-DLBZAZTESA-N 2 1 337.552 3.479 20 30 EGEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235632601 1376880611 /nfs/dbraw/zinc/88/06/11/1376880611.db2.gz LYWRYJBVFZCYKE-WOJBJXKFSA-N 2 1 336.520 3.125 20 30 EGEDMP C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235632601 1376880615 /nfs/dbraw/zinc/88/06/15/1376880615.db2.gz LYWRYJBVFZCYKE-WOJBJXKFSA-N 2 1 336.520 3.125 20 30 EGEDMP COCC[N@H+](Cc1ccc(C#Cc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001235945145 1376922904 /nfs/dbraw/zinc/92/29/04/1376922904.db2.gz BELHXXCCUURHAY-UHFFFAOYSA-N 2 1 348.490 3.287 20 30 EGEDMP COCC[N@@H+](Cc1ccc(C#Cc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC001235945145 1376922908 /nfs/dbraw/zinc/92/29/08/1376922908.db2.gz BELHXXCCUURHAY-UHFFFAOYSA-N 2 1 348.490 3.287 20 30 EGEDMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001138768753 1377782278 /nfs/dbraw/zinc/78/22/78/1377782278.db2.gz DZBRGIKOIJDLNF-UHFFFAOYSA-N 2 1 335.451 3.057 20 30 EGEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001138768753 1377782279 /nfs/dbraw/zinc/78/22/79/1377782279.db2.gz DZBRGIKOIJDLNF-UHFFFAOYSA-N 2 1 335.451 3.057 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140112532 1378010729 /nfs/dbraw/zinc/01/07/29/1378010729.db2.gz OGHZCWPBHLKWRQ-UHFFFAOYSA-N 2 1 345.450 3.482 20 30 EGEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140801595 1378141354 /nfs/dbraw/zinc/14/13/54/1378141354.db2.gz SUMGAUWWFPBHBT-UXHICEINSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801595 1378141355 /nfs/dbraw/zinc/14/13/55/1378141355.db2.gz SUMGAUWWFPBHBT-UXHICEINSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801595 1378141357 /nfs/dbraw/zinc/14/13/57/1378141357.db2.gz SUMGAUWWFPBHBT-UXHICEINSA-N 2 1 341.455 3.137 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC001148357085 1379156078 /nfs/dbraw/zinc/15/60/78/1379156078.db2.gz BTZPCFYVIXEVAC-SFHVURJKSA-N 2 1 346.519 3.339 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155606880 1380472961 /nfs/dbraw/zinc/47/29/61/1380472961.db2.gz DFEJHJLVSQHCCT-QGZVFWFLSA-N 2 1 334.508 3.189 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155606880 1380472962 /nfs/dbraw/zinc/47/29/62/1380472962.db2.gz DFEJHJLVSQHCCT-QGZVFWFLSA-N 2 1 334.508 3.189 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086171 1380772239 /nfs/dbraw/zinc/77/22/39/1380772239.db2.gz GRKRCNHOJTZUDB-QGZVFWFLSA-N 2 1 331.504 3.155 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158062066 1381116829 /nfs/dbraw/zinc/11/68/29/1381116829.db2.gz YSIQSNOFYKOXEI-QZTJIDSGSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158062066 1381116835 /nfs/dbraw/zinc/11/68/35/1381116835.db2.gz YSIQSNOFYKOXEI-QZTJIDSGSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160985475 1382261185 /nfs/dbraw/zinc/26/11/85/1382261185.db2.gz CTHWPUXDWJXFJA-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985475 1382261191 /nfs/dbraw/zinc/26/11/91/1382261191.db2.gz CTHWPUXDWJXFJA-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985475 1382261196 /nfs/dbraw/zinc/26/11/96/1382261196.db2.gz CTHWPUXDWJXFJA-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001161496866 1382423470 /nfs/dbraw/zinc/42/34/70/1382423470.db2.gz INTHNQUEPBYRDI-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161496866 1382423473 /nfs/dbraw/zinc/42/34/73/1382423473.db2.gz INTHNQUEPBYRDI-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161496866 1382423476 /nfs/dbraw/zinc/42/34/76/1382423476.db2.gz INTHNQUEPBYRDI-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161759044 1382497280 /nfs/dbraw/zinc/49/72/80/1382497280.db2.gz YWLZRCLJODUFBL-UHFFFAOYSA-N 2 1 337.552 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161759044 1382497281 /nfs/dbraw/zinc/49/72/81/1382497281.db2.gz YWLZRCLJODUFBL-UHFFFAOYSA-N 2 1 337.552 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001161759044 1382497282 /nfs/dbraw/zinc/49/72/82/1382497282.db2.gz YWLZRCLJODUFBL-UHFFFAOYSA-N 2 1 337.552 3.437 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)cc1 ZINC001163094991 1382963568 /nfs/dbraw/zinc/96/35/68/1382963568.db2.gz DDKWPTVXJFMPLS-QUCCMNQESA-N 2 1 341.499 3.190 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCC2([NH+]3CCCC3)COC2)cc1 ZINC001168450182 1383909802 /nfs/dbraw/zinc/90/98/02/1383909802.db2.gz IPEFCFKQXSABCR-FQEVSTJZSA-N 2 1 341.499 3.286 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170868874 1384402008 /nfs/dbraw/zinc/40/20/08/1384402008.db2.gz VKTKGDBBYSRZHO-MJGOQNOKSA-N 2 1 331.504 3.130 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171254852 1384479907 /nfs/dbraw/zinc/47/99/07/1384479907.db2.gz VDJIJXGARAWWPM-DLBZAZTESA-N 2 1 343.943 3.266 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C/CCC ZINC001171307430 1384490799 /nfs/dbraw/zinc/49/07/99/1384490799.db2.gz IQTAZIZUXGLXIA-RLFQVEEXSA-N 2 1 347.547 3.095 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C/CCC ZINC001171307430 1384490801 /nfs/dbraw/zinc/49/08/01/1384490801.db2.gz IQTAZIZUXGLXIA-RLFQVEEXSA-N 2 1 347.547 3.095 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120209 1384732774 /nfs/dbraw/zinc/73/27/74/1384732774.db2.gz ATOVOHGPOHMHDA-JTJHWIPRSA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120209 1384732776 /nfs/dbraw/zinc/73/27/76/1384732776.db2.gz ATOVOHGPOHMHDA-JTJHWIPRSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120209 1384732780 /nfs/dbraw/zinc/73/27/80/1384732780.db2.gz ATOVOHGPOHMHDA-JTJHWIPRSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120209 1384732785 /nfs/dbraw/zinc/73/27/85/1384732785.db2.gz ATOVOHGPOHMHDA-JTJHWIPRSA-N 2 1 339.483 3.417 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001172294378 1384762742 /nfs/dbraw/zinc/76/27/42/1384762742.db2.gz IWZSGKYJASXYLE-GOSISDBHSA-N 2 1 349.478 3.111 20 30 EGEDMP Cc1cccc(N([C@@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)[nH+]1 ZINC001172313168 1384767017 /nfs/dbraw/zinc/76/70/17/1384767017.db2.gz QPQYWSGOAFUYLE-KRWDZBQOSA-N 2 1 334.467 3.451 20 30 EGEDMP C=CCN1CC[C@@]2(CCC[N@H+](C3CCC([NH+](CC)CC)CC3)C2)C1=O ZINC001173112083 1384916690 /nfs/dbraw/zinc/91/66/90/1384916690.db2.gz WGNPDJDHPYZBDX-GZNCHQMQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177017051 1385773541 /nfs/dbraw/zinc/77/35/41/1385773541.db2.gz WWTGBBNQEXTBNF-LJQANCHMSA-N 2 1 331.504 3.132 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001177317046 1385911074 /nfs/dbraw/zinc/91/10/74/1385911074.db2.gz OAIDRFAAFCTVOQ-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CCC ZINC001177466919 1385966442 /nfs/dbraw/zinc/96/64/42/1385966442.db2.gz KVFPKXMXDDOYTJ-UHFFFAOYSA-N 2 1 343.943 3.079 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736082 1386292848 /nfs/dbraw/zinc/29/28/48/1386292848.db2.gz NFMZBUTUYLCOGD-CADBVGFASA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546221 1386511135 /nfs/dbraw/zinc/51/11/35/1386511135.db2.gz GGDFJUFEZUUISW-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623753 1387198122 /nfs/dbraw/zinc/19/81/22/1387198122.db2.gz VLPJFYTZIAGIIL-YLJYHZDGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001182693574 1387207879 /nfs/dbraw/zinc/20/78/79/1387207879.db2.gz XIQQCKMROJJGCN-ZWKOTPCHSA-N 2 1 346.519 3.334 20 30 EGEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001331595772 1389818876 /nfs/dbraw/zinc/81/88/76/1389818876.db2.gz IBJDMIOZLHYDDG-RZUBCFFCSA-N 2 1 337.511 3.042 20 30 EGEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC001331595772 1389818878 /nfs/dbraw/zinc/81/88/78/1389818878.db2.gz IBJDMIOZLHYDDG-RZUBCFFCSA-N 2 1 337.511 3.042 20 30 EGEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001752508263 1440189837 /nfs/dbraw/zinc/18/98/37/1440189837.db2.gz PMRSSAGSZTYGNH-ROUUACIJSA-N 2 1 346.519 3.143 20 30 EGEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001752508263 1440189838 /nfs/dbraw/zinc/18/98/38/1440189838.db2.gz PMRSSAGSZTYGNH-ROUUACIJSA-N 2 1 346.519 3.143 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752514784 1440191051 /nfs/dbraw/zinc/19/10/51/1440191051.db2.gz SQZYTRNWEOYZCT-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001752815994 1440217970 /nfs/dbraw/zinc/21/79/70/1440217970.db2.gz VQRJPJQLXLSUGA-AZUAARDMSA-N 2 1 343.515 3.084 20 30 EGEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001753293630 1440351294 /nfs/dbraw/zinc/35/12/94/1440351294.db2.gz OIHMPUAFCXUHJC-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001753293630 1440351295 /nfs/dbraw/zinc/35/12/95/1440351295.db2.gz OIHMPUAFCXUHJC-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001753293630 1440351296 /nfs/dbraw/zinc/35/12/96/1440351296.db2.gz OIHMPUAFCXUHJC-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001753367964 1440386458 /nfs/dbraw/zinc/38/64/58/1440386458.db2.gz OAZOKNQVMNFNFY-FQEVSTJZSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001753367964 1440386459 /nfs/dbraw/zinc/38/64/59/1440386459.db2.gz OAZOKNQVMNFNFY-FQEVSTJZSA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001754715779 1440671366 /nfs/dbraw/zinc/67/13/66/1440671366.db2.gz FKQVBUBSABPGPA-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC001754948366 1440714085 /nfs/dbraw/zinc/71/40/85/1440714085.db2.gz HTXAZQWXXCZKFV-ZWOKBUDYSA-N 2 1 343.515 3.260 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001755028969 1440730376 /nfs/dbraw/zinc/73/03/76/1440730376.db2.gz KIKJRWTUBVGUSB-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001755028969 1440730377 /nfs/dbraw/zinc/73/03/77/1440730377.db2.gz KIKJRWTUBVGUSB-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001755028969 1440730378 /nfs/dbraw/zinc/73/03/78/1440730378.db2.gz KIKJRWTUBVGUSB-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001755101498 1440752557 /nfs/dbraw/zinc/75/25/57/1440752557.db2.gz KXNJWLBJBIDZHI-IRXDYDNUSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001755131542 1440757259 /nfs/dbraw/zinc/75/72/59/1440757259.db2.gz MENZTWKJZKKNEG-IBGZPJMESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001755144256 1440762557 /nfs/dbraw/zinc/76/25/57/1440762557.db2.gz YQUYXYBFBYSSLX-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001755365401 1440834209 /nfs/dbraw/zinc/83/42/09/1440834209.db2.gz FCGUFHBPQFXDND-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001755535926 1440869453 /nfs/dbraw/zinc/86/94/53/1440869453.db2.gz DBMUGUHVZVRTTC-UHFFFAOYSA-N 2 1 334.508 3.085 20 30 EGEDMP CCCCCCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001755535926 1440869454 /nfs/dbraw/zinc/86/94/54/1440869454.db2.gz DBMUGUHVZVRTTC-UHFFFAOYSA-N 2 1 334.508 3.085 20 30 EGEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755536314 1440869666 /nfs/dbraw/zinc/86/96/66/1440869666.db2.gz NRCCFWFVIRUBPI-FQEVSTJZSA-N 2 1 349.563 3.386 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3)c2)CCO1 ZINC000071828159 203122237 /nfs/dbraw/zinc/12/22/37/203122237.db2.gz AYHMQROVLVLXLH-QGZVFWFLSA-N 2 1 335.451 3.069 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3)c2)CCO1 ZINC000071828159 203122240 /nfs/dbraw/zinc/12/22/40/203122240.db2.gz AYHMQROVLVLXLH-QGZVFWFLSA-N 2 1 335.451 3.069 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)s3)CC2)oc1C ZINC000176968423 207278986 /nfs/dbraw/zinc/27/89/86/207278986.db2.gz ZVFDXXZKDHXJTD-UHFFFAOYSA-N 2 1 344.484 3.226 20 30 EGEDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCCCC#N ZINC000064614576 454494118 /nfs/dbraw/zinc/49/41/18/454494118.db2.gz QFHSPGMRMVVLNO-SFHVURJKSA-N 2 1 345.487 3.198 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000152956425 454746751 /nfs/dbraw/zinc/74/67/51/454746751.db2.gz KDMJEWVZVMAQQT-INIZCTEOSA-N 2 1 343.471 3.334 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000154326652 454885766 /nfs/dbraw/zinc/88/57/66/454885766.db2.gz OVLQYFYKYXLZHJ-FUHIMQAGSA-N 2 1 329.488 3.346 20 30 EGEDMP N#CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccccc2)n1 ZINC000113320918 454923151 /nfs/dbraw/zinc/92/31/51/454923151.db2.gz SDABXCOEMGFGIW-QGZVFWFLSA-N 2 1 349.482 3.038 20 30 EGEDMP C=CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178877249 454986675 /nfs/dbraw/zinc/98/66/75/454986675.db2.gz AMGHKJPBAOEBGM-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]CC(C)(C)CCC#N)CC2)oc1C ZINC000174382574 455384476 /nfs/dbraw/zinc/38/44/76/455384476.db2.gz RLCUTEKVRUQZLZ-UHFFFAOYSA-N 2 1 332.492 3.423 20 30 EGEDMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)NC1CCCCC1 ZINC000262011164 455984521 /nfs/dbraw/zinc/98/45/21/455984521.db2.gz UCKHSOXEUGSUQM-HNNXBMFYSA-N 2 1 334.533 3.197 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290399719 456315990 /nfs/dbraw/zinc/31/59/90/456315990.db2.gz JHDCTWAZMQJOJW-QZTJIDSGSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000290399719 456315998 /nfs/dbraw/zinc/31/59/98/456315998.db2.gz JHDCTWAZMQJOJW-QZTJIDSGSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414775713 458325747 /nfs/dbraw/zinc/32/57/47/458325747.db2.gz GMQUGYJKCSRNAN-ZWKOTPCHSA-N 2 1 330.472 3.082 20 30 EGEDMP N#CCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000377647735 458508947 /nfs/dbraw/zinc/50/89/47/458508947.db2.gz MEIOFMALKOVGAS-WOJBJXKFSA-N 2 1 349.482 3.180 20 30 EGEDMP N#CCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000377647735 458508952 /nfs/dbraw/zinc/50/89/52/458508952.db2.gz MEIOFMALKOVGAS-WOJBJXKFSA-N 2 1 349.482 3.180 20 30 EGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000570983632 459562709 /nfs/dbraw/zinc/56/27/09/459562709.db2.gz OIYTWESDDDIHEF-GOSISDBHSA-N 2 1 349.906 3.099 20 30 EGEDMP C[C@H](CCC#N)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000602512269 459976230 /nfs/dbraw/zinc/97/62/30/459976230.db2.gz XEBDABXRONVKIY-KURKYZTESA-N 2 1 329.488 3.325 20 30 EGEDMP COC(=O)c1cccc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1C#N ZINC000603112379 460245694 /nfs/dbraw/zinc/24/56/94/460245694.db2.gz XRJPKSXWLMNOSK-UHFFFAOYSA-N 2 1 343.471 3.043 20 30 EGEDMP COC(=O)c1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1C#N ZINC000603112379 460245700 /nfs/dbraw/zinc/24/57/00/460245700.db2.gz XRJPKSXWLMNOSK-UHFFFAOYSA-N 2 1 343.471 3.043 20 30 EGEDMP C=CCCC(C)(C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000620857282 460812128 /nfs/dbraw/zinc/81/21/28/460812128.db2.gz VYYFIZSTROVXEP-UHFFFAOYSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543940 461758777 /nfs/dbraw/zinc/75/87/77/461758777.db2.gz UQWBHVLKYKXYDC-RTBURBONSA-N 2 1 344.499 3.472 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1O ZINC000246797272 1296371092 /nfs/dbraw/zinc/37/10/92/1296371092.db2.gz POKRFZXOQHGBBZ-QFBILLFUSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1O ZINC000246797272 1296371104 /nfs/dbraw/zinc/37/11/04/1296371104.db2.gz POKRFZXOQHGBBZ-QFBILLFUSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1O ZINC000246797272 1296371115 /nfs/dbraw/zinc/37/11/15/1296371115.db2.gz POKRFZXOQHGBBZ-QFBILLFUSA-N 2 1 330.472 3.045 20 30 EGEDMP CCNC(NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)=[NH+]CC ZINC000303361074 1296829052 /nfs/dbraw/zinc/82/90/52/1296829052.db2.gz CJHMAQRYNFQWTD-CALCHBBNSA-N 2 1 330.520 3.240 20 30 EGEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCC(C)C)c1cccc(OC)c1 ZINC000303768602 1296848477 /nfs/dbraw/zinc/84/84/77/1296848477.db2.gz ALEHPZOQRDQALY-GOSISDBHSA-N 2 1 334.508 3.029 20 30 EGEDMP CCc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000303791216 1296859061 /nfs/dbraw/zinc/85/90/61/1296859061.db2.gz XFKAXUHEHBTTFZ-KRWDZBQOSA-N 2 1 326.444 3.406 20 30 EGEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303863304 1296862042 /nfs/dbraw/zinc/86/20/42/1296862042.db2.gz AFEXHOXLZUAJNF-QGZVFWFLSA-N 2 1 336.483 3.477 20 30 EGEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303863304 1296862059 /nfs/dbraw/zinc/86/20/59/1296862059.db2.gz AFEXHOXLZUAJNF-QGZVFWFLSA-N 2 1 336.483 3.477 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H]1CC[N@@H+](CC)C1 ZINC000303882426 1296867416 /nfs/dbraw/zinc/86/74/16/1296867416.db2.gz IBDCDTICOINTOG-LJQANCHMSA-N 2 1 330.520 3.172 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@H]1CCC[N@@H+](C)C1 ZINC000304015492 1296893651 /nfs/dbraw/zinc/89/36/51/1296893651.db2.gz WHLLKLFHOLLACH-LJQANCHMSA-N 2 1 330.520 3.172 20 30 EGEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCCCCC2)cc1F ZINC000305092796 1296973451 /nfs/dbraw/zinc/97/34/51/1296973451.db2.gz XTQNYRCYLOYROA-UHFFFAOYSA-N 2 1 329.423 3.011 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000392773418 1297659620 /nfs/dbraw/zinc/65/96/20/1297659620.db2.gz FBWLFMZTNKTNNA-UHFFFAOYSA-N 2 1 335.289 3.240 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000392773418 1297659634 /nfs/dbraw/zinc/65/96/34/1297659634.db2.gz FBWLFMZTNKTNNA-UHFFFAOYSA-N 2 1 335.289 3.240 20 30 EGEDMP CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000402403812 1297745803 /nfs/dbraw/zinc/74/58/03/1297745803.db2.gz RYUJVUUWTORFOT-UNMCSNQZSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000402403812 1297745818 /nfs/dbraw/zinc/74/58/18/1297745818.db2.gz RYUJVUUWTORFOT-UNMCSNQZSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000402403812 1297745821 /nfs/dbraw/zinc/74/58/21/1297745821.db2.gz RYUJVUUWTORFOT-UNMCSNQZSA-N 2 1 349.478 3.046 20 30 EGEDMP CN(c1ccccc1C=[NH+]OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000764846604 1302149166 /nfs/dbraw/zinc/14/91/66/1302149166.db2.gz LPSGBAWGYJJYDX-UHFFFAOYSA-N 2 1 329.366 3.130 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)OC)cc2C)CC1 ZINC000902796669 1317618062 /nfs/dbraw/zinc/61/80/62/1317618062.db2.gz SRPUTVXGMURRGK-INIZCTEOSA-N 2 1 330.472 3.473 20 30 EGEDMP CCC[N@H+]1CC[C@@H](C[NH+]=C(NCc2cccs2)NC(C)(C)C)C1 ZINC000912505667 1318893874 /nfs/dbraw/zinc/89/38/74/1318893874.db2.gz CNCYACJDZAVTSJ-HNNXBMFYSA-N 2 1 336.549 3.314 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000815652832 1319038399 /nfs/dbraw/zinc/03/83/99/1319038399.db2.gz WDLPPPVVYPUSMJ-KRWDZBQOSA-N 2 1 331.479 3.422 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000815652832 1319038408 /nfs/dbraw/zinc/03/84/08/1319038408.db2.gz WDLPPPVVYPUSMJ-KRWDZBQOSA-N 2 1 331.479 3.422 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1O ZINC000840086710 1321025382 /nfs/dbraw/zinc/02/53/82/1321025382.db2.gz OMTPJVFUPUGSHH-NRFANRHFSA-N 2 1 344.499 3.437 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1O ZINC000840086710 1321025386 /nfs/dbraw/zinc/02/53/86/1321025386.db2.gz OMTPJVFUPUGSHH-NRFANRHFSA-N 2 1 344.499 3.437 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1O ZINC000840086710 1321025392 /nfs/dbraw/zinc/02/53/92/1321025392.db2.gz OMTPJVFUPUGSHH-NRFANRHFSA-N 2 1 344.499 3.437 20 30 EGEDMP C=CCNC(=[NH2+])NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000848998556 1322057563 /nfs/dbraw/zinc/05/75/63/1322057563.db2.gz SWTRLCNFQLLCJW-OAHLLOKOSA-N 2 1 342.409 3.388 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630673 1324481945 /nfs/dbraw/zinc/48/19/45/1324481945.db2.gz UUVBCWSSNMQKBE-QZTJIDSGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631332 1324483191 /nfs/dbraw/zinc/48/31/91/1324483191.db2.gz ZLKAWWQIFPKPHQ-SJORKVTESA-N 2 1 347.503 3.138 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631324 1324483290 /nfs/dbraw/zinc/48/32/90/1324483290.db2.gz ZLKAWWQIFPKPHQ-DLBZAZTESA-N 2 1 347.503 3.138 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000963306350 1325087437 /nfs/dbraw/zinc/08/74/37/1325087437.db2.gz NXXGLWGYRXIFNW-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963310254 1325094686 /nfs/dbraw/zinc/09/46/86/1325094686.db2.gz CVZQVRFSHKRMGW-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310254 1325094692 /nfs/dbraw/zinc/09/46/92/1325094692.db2.gz CVZQVRFSHKRMGW-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310254 1325094697 /nfs/dbraw/zinc/09/46/97/1325094697.db2.gz CVZQVRFSHKRMGW-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056953 1333358576 /nfs/dbraw/zinc/35/85/76/1333358576.db2.gz OOZMSYXUESLCSS-YLJYHZDGSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647906 1333611484 /nfs/dbraw/zinc/61/14/84/1333611484.db2.gz NFKGFFNTVNWOFW-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968856712 1336069658 /nfs/dbraw/zinc/06/96/58/1336069658.db2.gz NCKRQWYMQDFNBW-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968856712 1336069660 /nfs/dbraw/zinc/06/96/60/1336069660.db2.gz NCKRQWYMQDFNBW-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968856712 1336069662 /nfs/dbraw/zinc/06/96/62/1336069662.db2.gz NCKRQWYMQDFNBW-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928452 1336092899 /nfs/dbraw/zinc/09/28/99/1336092899.db2.gz LFBBNKSZLULRRH-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928452 1336092901 /nfs/dbraw/zinc/09/29/01/1336092901.db2.gz LFBBNKSZLULRRH-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928452 1336092902 /nfs/dbraw/zinc/09/29/02/1336092902.db2.gz LFBBNKSZLULRRH-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968991385 1336112470 /nfs/dbraw/zinc/11/24/70/1336112470.db2.gz YOXIFZWABCSXRD-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968991385 1336112471 /nfs/dbraw/zinc/11/24/71/1336112471.db2.gz YOXIFZWABCSXRD-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968991385 1336112472 /nfs/dbraw/zinc/11/24/72/1336112472.db2.gz YOXIFZWABCSXRD-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000969108507 1336146573 /nfs/dbraw/zinc/14/65/73/1336146573.db2.gz DQTQFFQLZSYUCA-UXHICEINSA-N 2 1 347.547 3.025 20 30 EGEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000969108507 1336146576 /nfs/dbraw/zinc/14/65/76/1336146576.db2.gz DQTQFFQLZSYUCA-UXHICEINSA-N 2 1 347.547 3.025 20 30 EGEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000969108507 1336146580 /nfs/dbraw/zinc/14/65/80/1336146580.db2.gz DQTQFFQLZSYUCA-UXHICEINSA-N 2 1 347.547 3.025 20 30 EGEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005874628 1336414070 /nfs/dbraw/zinc/41/40/70/1336414070.db2.gz YQPKBDXSPLZYHN-FQEVSTJZSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210582 1342319734 /nfs/dbraw/zinc/31/97/34/1342319734.db2.gz IAUYMLUHOWRCIE-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210582 1342319739 /nfs/dbraw/zinc/31/97/39/1342319739.db2.gz IAUYMLUHOWRCIE-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210582 1342319744 /nfs/dbraw/zinc/31/97/44/1342319744.db2.gz IAUYMLUHOWRCIE-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034370215 1342439061 /nfs/dbraw/zinc/43/90/61/1342439061.db2.gz XIBOGTGKJBVUHI-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034370215 1342439063 /nfs/dbraw/zinc/43/90/63/1342439063.db2.gz XIBOGTGKJBVUHI-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034370215 1342439065 /nfs/dbraw/zinc/43/90/65/1342439065.db2.gz XIBOGTGKJBVUHI-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034481291 1342539105 /nfs/dbraw/zinc/53/91/05/1342539105.db2.gz SMTSYJOXTTVZGP-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034481291 1342539108 /nfs/dbraw/zinc/53/91/08/1342539108.db2.gz SMTSYJOXTTVZGP-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034481291 1342539110 /nfs/dbraw/zinc/53/91/10/1342539110.db2.gz SMTSYJOXTTVZGP-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180129 1344876275 /nfs/dbraw/zinc/87/62/75/1344876275.db2.gz LWNFVZMZZHEMPW-PMACEKPBSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040209187 1345375842 /nfs/dbraw/zinc/37/58/42/1345375842.db2.gz OKKSHRRILCYFBD-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001040270580 1345405524 /nfs/dbraw/zinc/40/55/24/1345405524.db2.gz LLPGLMUFQOQIPD-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270580 1345405529 /nfs/dbraw/zinc/40/55/29/1345405529.db2.gz LLPGLMUFQOQIPD-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001040270580 1345405532 /nfs/dbraw/zinc/40/55/32/1345405532.db2.gz LLPGLMUFQOQIPD-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433852 1345497008 /nfs/dbraw/zinc/49/70/08/1345497008.db2.gz ZRRJAKJYFMODHK-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040541648 1345537876 /nfs/dbraw/zinc/53/78/76/1345537876.db2.gz COJGDOHQKRIRAS-OAQYLSRUSA-N 2 1 347.547 3.143 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041722796 1345831893 /nfs/dbraw/zinc/83/18/93/1345831893.db2.gz AGANSZZNCMTIFB-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722796 1345831895 /nfs/dbraw/zinc/83/18/95/1345831895.db2.gz AGANSZZNCMTIFB-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722796 1345831897 /nfs/dbraw/zinc/83/18/97/1345831897.db2.gz AGANSZZNCMTIFB-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045940599 1346776497 /nfs/dbraw/zinc/77/64/97/1346776497.db2.gz BFCRKVDJWAJEBK-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940599 1346776498 /nfs/dbraw/zinc/77/64/98/1346776498.db2.gz BFCRKVDJWAJEBK-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045940599 1346776500 /nfs/dbraw/zinc/77/65/00/1346776500.db2.gz BFCRKVDJWAJEBK-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943855 1346779522 /nfs/dbraw/zinc/77/95/22/1346779522.db2.gz PZXULRYQQVNCIB-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943855 1346779524 /nfs/dbraw/zinc/77/95/24/1346779524.db2.gz PZXULRYQQVNCIB-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943855 1346779525 /nfs/dbraw/zinc/77/95/25/1346779525.db2.gz PZXULRYQQVNCIB-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045948461 1346783573 /nfs/dbraw/zinc/78/35/73/1346783573.db2.gz JYVRHTNANYBFOT-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948461 1346783575 /nfs/dbraw/zinc/78/35/75/1346783575.db2.gz JYVRHTNANYBFOT-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948461 1346783577 /nfs/dbraw/zinc/78/35/77/1346783577.db2.gz JYVRHTNANYBFOT-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049526537 1347893112 /nfs/dbraw/zinc/89/31/12/1347893112.db2.gz VQQDXNAVRNXZNO-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526537 1347893115 /nfs/dbraw/zinc/89/31/15/1347893115.db2.gz VQQDXNAVRNXZNO-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049526537 1347893116 /nfs/dbraw/zinc/89/31/16/1347893116.db2.gz VQQDXNAVRNXZNO-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381873 1348537708 /nfs/dbraw/zinc/53/77/08/1348537708.db2.gz ZRGCKFGBHIBBDN-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381873 1348537710 /nfs/dbraw/zinc/53/77/10/1348537710.db2.gz ZRGCKFGBHIBBDN-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381873 1348537712 /nfs/dbraw/zinc/53/77/12/1348537712.db2.gz ZRGCKFGBHIBBDN-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470740 1358221635 /nfs/dbraw/zinc/22/16/35/1358221635.db2.gz UIFDGHXFVYFXFU-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470740 1358221637 /nfs/dbraw/zinc/22/16/37/1358221637.db2.gz UIFDGHXFVYFXFU-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470740 1358221642 /nfs/dbraw/zinc/22/16/42/1358221642.db2.gz UIFDGHXFVYFXFU-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781900 1358757201 /nfs/dbraw/zinc/75/72/01/1358757201.db2.gz HWILRNMKRXXKRD-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781900 1358757206 /nfs/dbraw/zinc/75/72/06/1358757206.db2.gz HWILRNMKRXXKRD-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781900 1358757210 /nfs/dbraw/zinc/75/72/10/1358757210.db2.gz HWILRNMKRXXKRD-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602525 1359550773 /nfs/dbraw/zinc/55/07/73/1359550773.db2.gz SYAJZVYLPJRVSE-CEXWTWQISA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602525 1359550776 /nfs/dbraw/zinc/55/07/76/1359550776.db2.gz SYAJZVYLPJRVSE-CEXWTWQISA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087602525 1359550779 /nfs/dbraw/zinc/55/07/79/1359550779.db2.gz SYAJZVYLPJRVSE-CEXWTWQISA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400818 1360400595 /nfs/dbraw/zinc/40/05/95/1360400595.db2.gz LIJOJWDFVDPLEW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400818 1360400599 /nfs/dbraw/zinc/40/05/99/1360400599.db2.gz LIJOJWDFVDPLEW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400818 1360400600 /nfs/dbraw/zinc/40/06/00/1360400600.db2.gz LIJOJWDFVDPLEW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)CC(C)(C)C1 ZINC001089477925 1360460890 /nfs/dbraw/zinc/46/08/90/1360460890.db2.gz PKBVWFKNXAUKFK-KRWDZBQOSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094497417 1361830481 /nfs/dbraw/zinc/83/04/81/1361830481.db2.gz WVMXDWCIMBXAOY-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497417 1361830483 /nfs/dbraw/zinc/83/04/83/1361830483.db2.gz WVMXDWCIMBXAOY-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094497417 1361830487 /nfs/dbraw/zinc/83/04/87/1361830487.db2.gz WVMXDWCIMBXAOY-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891507 1387555973 /nfs/dbraw/zinc/55/59/73/1387555973.db2.gz HWRMOLZUEKUDSY-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097695335 1363103004 /nfs/dbraw/zinc/10/30/04/1363103004.db2.gz XKXOTNDCJIQOMB-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097695335 1363103006 /nfs/dbraw/zinc/10/30/06/1363103006.db2.gz XKXOTNDCJIQOMB-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097695335 1363103009 /nfs/dbraw/zinc/10/30/09/1363103009.db2.gz XKXOTNDCJIQOMB-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106523 1363625037 /nfs/dbraw/zinc/62/50/37/1363625037.db2.gz IFTDBIOHZVIRNN-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106523 1363625041 /nfs/dbraw/zinc/62/50/41/1363625041.db2.gz IFTDBIOHZVIRNN-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106523 1363625043 /nfs/dbraw/zinc/62/50/43/1363625043.db2.gz IFTDBIOHZVIRNN-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099111089 1363628488 /nfs/dbraw/zinc/62/84/88/1363628488.db2.gz QCURHSXEZIJUDW-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111089 1363628490 /nfs/dbraw/zinc/62/84/90/1363628490.db2.gz QCURHSXEZIJUDW-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099111089 1363628491 /nfs/dbraw/zinc/62/84/91/1363628491.db2.gz QCURHSXEZIJUDW-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001099153951 1363660274 /nfs/dbraw/zinc/66/02/74/1363660274.db2.gz QSZLRZWPRDHACC-LJQANCHMSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001099153951 1363660276 /nfs/dbraw/zinc/66/02/76/1363660276.db2.gz QSZLRZWPRDHACC-LJQANCHMSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001099153951 1363660277 /nfs/dbraw/zinc/66/02/77/1363660277.db2.gz QSZLRZWPRDHACC-LJQANCHMSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001099153925 1363660361 /nfs/dbraw/zinc/66/03/61/1363660361.db2.gz QDVJIAZCIJKHNI-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468945 1364126290 /nfs/dbraw/zinc/12/62/90/1364126290.db2.gz YQYKNICOEVTKOJ-WWDZGPRUSA-N 2 1 349.563 3.479 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100757719 1364248226 /nfs/dbraw/zinc/24/82/26/1364248226.db2.gz GONLFFJOTGQTFR-UHFFFAOYSA-N 2 1 348.535 3.427 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001101573922 1364628334 /nfs/dbraw/zinc/62/83/34/1364628334.db2.gz KBEHVGOCYWLVQJ-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375308 1365029451 /nfs/dbraw/zinc/02/94/51/1365029451.db2.gz BRQHVQRVGBYMNV-FGTMMUONSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375308 1365029454 /nfs/dbraw/zinc/02/94/54/1365029454.db2.gz BRQHVQRVGBYMNV-FGTMMUONSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375308 1365029457 /nfs/dbraw/zinc/02/94/57/1365029457.db2.gz BRQHVQRVGBYMNV-FGTMMUONSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908796 1366219771 /nfs/dbraw/zinc/21/97/71/1366219771.db2.gz KYPGUGHRRGRSBK-HSALFYBXSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544918 1366522250 /nfs/dbraw/zinc/52/22/50/1366522250.db2.gz YZMXBIJAZVHFHU-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105574780 1366539655 /nfs/dbraw/zinc/53/96/55/1366539655.db2.gz HKVQPGMBXLYJEG-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211251 1366624844 /nfs/dbraw/zinc/62/48/44/1366624844.db2.gz XTFJXFJZPARLHB-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673371 1366770472 /nfs/dbraw/zinc/77/04/72/1366770472.db2.gz WWRNWTKCHALZPK-KZNAEPCWSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106775582 1366794769 /nfs/dbraw/zinc/79/47/69/1366794769.db2.gz RFBDASMNXGSNFQ-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189453663 1367025547 /nfs/dbraw/zinc/02/55/47/1367025547.db2.gz MKDYKCMBVNDARC-HSALFYBXSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453663 1367025552 /nfs/dbraw/zinc/02/55/52/1367025552.db2.gz MKDYKCMBVNDARC-HSALFYBXSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453663 1367025554 /nfs/dbraw/zinc/02/55/54/1367025554.db2.gz MKDYKCMBVNDARC-HSALFYBXSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544084 1367035349 /nfs/dbraw/zinc/03/53/49/1367035349.db2.gz LHPBCZTZUYESCY-QWFCFKBJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109272649 1367036161 /nfs/dbraw/zinc/03/61/61/1367036161.db2.gz OFLUCGUENFGLKO-FUMNGEBKSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109272649 1367036165 /nfs/dbraw/zinc/03/61/65/1367036165.db2.gz OFLUCGUENFGLKO-FUMNGEBKSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109272649 1367036170 /nfs/dbraw/zinc/03/61/70/1367036170.db2.gz OFLUCGUENFGLKO-FUMNGEBKSA-N 2 1 347.547 3.327 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652114 1367095403 /nfs/dbraw/zinc/09/54/03/1367095403.db2.gz BSWNWDXXXYNATC-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109561923 1367199356 /nfs/dbraw/zinc/19/93/56/1367199356.db2.gz UCXOIQASEBWCJG-AABGKKOBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109561923 1367199358 /nfs/dbraw/zinc/19/93/58/1367199358.db2.gz UCXOIQASEBWCJG-AABGKKOBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109561923 1367199364 /nfs/dbraw/zinc/19/93/64/1367199364.db2.gz UCXOIQASEBWCJG-AABGKKOBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560387 1367527928 /nfs/dbraw/zinc/52/79/28/1367527928.db2.gz FAOIYICQNCPSSP-MSOLQXFVSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028880 1368145372 /nfs/dbraw/zinc/14/53/72/1368145372.db2.gz VJRJOJQOKAZRRP-TVFCKZIOSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028880 1368145376 /nfs/dbraw/zinc/14/53/76/1368145376.db2.gz VJRJOJQOKAZRRP-TVFCKZIOSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111028880 1368145380 /nfs/dbraw/zinc/14/53/80/1368145380.db2.gz VJRJOJQOKAZRRP-TVFCKZIOSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194274231 1368221711 /nfs/dbraw/zinc/22/17/11/1368221711.db2.gz GEFILLIMDPSXCX-UXHICEINSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001196164077 1368561466 /nfs/dbraw/zinc/56/14/66/1368561466.db2.gz XJNZCGFMCXTPOE-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001196164077 1368561469 /nfs/dbraw/zinc/56/14/69/1368561469.db2.gz XJNZCGFMCXTPOE-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001196164077 1368561473 /nfs/dbraw/zinc/56/14/73/1368561473.db2.gz XJNZCGFMCXTPOE-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196641717 1368654176 /nfs/dbraw/zinc/65/41/76/1368654176.db2.gz MWARZAXOUPUYFV-HXUWFJFHSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198252749 1368989538 /nfs/dbraw/zinc/98/95/38/1368989538.db2.gz SZJJNGBFUDHVGG-UHFFFAOYSA-N 2 1 337.552 3.367 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001112855301 1369048794 /nfs/dbraw/zinc/04/87/94/1369048794.db2.gz QQNBVPRTPVKZOL-UHFFFAOYSA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112966048 1369113317 /nfs/dbraw/zinc/11/33/17/1369113317.db2.gz SVOVYJLKOYEBSS-IBGZPJMESA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001113008037 1369132806 /nfs/dbraw/zinc/13/28/06/1369132806.db2.gz CWKZCVPDFCBKSF-OALUTQOASA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001113008037 1369132808 /nfs/dbraw/zinc/13/28/08/1369132808.db2.gz CWKZCVPDFCBKSF-OALUTQOASA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577827 1369393059 /nfs/dbraw/zinc/39/30/59/1369393059.db2.gz IDPZHGMNGJOHGD-ICSRJNTNSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001113401771 1369400459 /nfs/dbraw/zinc/40/04/59/1369400459.db2.gz QQFUQTSDNLCDKZ-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114286940 1369852488 /nfs/dbraw/zinc/85/24/88/1369852488.db2.gz BECBXKJSJWWUJC-BWTSREIZSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230661 1370033074 /nfs/dbraw/zinc/03/30/74/1370033074.db2.gz PGVDSLZTCKTKHC-RBUKOAKNSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203506741 1370148341 /nfs/dbraw/zinc/14/83/41/1370148341.db2.gz LEVUSOGRSMYZQN-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507587 1370149039 /nfs/dbraw/zinc/14/90/39/1370149039.db2.gz TWWVSZIBPXWSBY-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](CCC)CCC ZINC001115111612 1370286074 /nfs/dbraw/zinc/28/60/74/1370286074.db2.gz SSTKRLPVRRYBDS-CTAFRAEOSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115591773 1370592443 /nfs/dbraw/zinc/59/24/43/1370592443.db2.gz DGLBSZZPVRAYNT-RBUKOAKNSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730424 1370712861 /nfs/dbraw/zinc/71/28/61/1370712861.db2.gz JNUBDVVUBQFUEB-MOPGFXCFSA-N 2 1 349.563 3.339 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@H]1C[NH3+] ZINC001206003102 1370934609 /nfs/dbraw/zinc/93/46/09/1370934609.db2.gz DSSWLSNVDVJNOI-OLZOCXBDSA-N 2 1 336.277 3.128 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206858187 1371192003 /nfs/dbraw/zinc/19/20/03/1371192003.db2.gz WVGUEMWFYOSDFI-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281692 1371697880 /nfs/dbraw/zinc/69/78/80/1371697880.db2.gz VMSNRFLOAXMTQQ-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208473673 1371780971 /nfs/dbraw/zinc/78/09/71/1371780971.db2.gz CUFKXXYMQJCDLK-VQTJNVASSA-N 2 1 349.563 3.434 20 30 EGEDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208863131 1371923711 /nfs/dbraw/zinc/92/37/11/1371923711.db2.gz YENDUJKLLMODSW-NRFANRHFSA-N 2 1 341.499 3.066 20 30 EGEDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208863131 1371923712 /nfs/dbraw/zinc/92/37/12/1371923712.db2.gz YENDUJKLLMODSW-NRFANRHFSA-N 2 1 341.499 3.066 20 30 EGEDMP C=CCCCC[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccccn3)CO2)CC1 ZINC001209201145 1372035949 /nfs/dbraw/zinc/03/59/49/1372035949.db2.gz VRCDIWDFSLXPNO-FQEVSTJZSA-N 2 1 343.515 3.493 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209222526 1372042084 /nfs/dbraw/zinc/04/20/84/1372042084.db2.gz JQDGGCJUFHHKMW-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250363 1372050929 /nfs/dbraw/zinc/05/09/29/1372050929.db2.gz DGRNSJLKMMCCAP-GBESFXJTSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121767330 1372074751 /nfs/dbraw/zinc/07/47/51/1372074751.db2.gz BFJGJQNSUDPODJ-PMRGXDQWSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211367091 1372541101 /nfs/dbraw/zinc/54/11/01/1372541101.db2.gz NUSZNMYFYFUQLZ-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367091 1372541106 /nfs/dbraw/zinc/54/11/06/1372541106.db2.gz NUSZNMYFYFUQLZ-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211367091 1372541109 /nfs/dbraw/zinc/54/11/09/1372541109.db2.gz NUSZNMYFYFUQLZ-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCc2ncc[nH]2)CC[C@H]1C ZINC001132030212 1375106425 /nfs/dbraw/zinc/10/64/25/1375106425.db2.gz SPGDZXHJMZODBI-SJORKVTESA-N 2 1 334.508 3.282 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132068697 1375130965 /nfs/dbraw/zinc/13/09/65/1375130965.db2.gz ISFNJHIQNHZMLP-RDJZCZTQSA-N 2 1 349.544 3.359 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132068697 1375130968 /nfs/dbraw/zinc/13/09/68/1375130968.db2.gz ISFNJHIQNHZMLP-RDJZCZTQSA-N 2 1 349.544 3.359 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132068695 1375131251 /nfs/dbraw/zinc/13/12/51/1375131251.db2.gz ISFNJHIQNHZMLP-DOTOQJQBSA-N 2 1 349.544 3.359 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001132068695 1375131252 /nfs/dbraw/zinc/13/12/52/1375131252.db2.gz ISFNJHIQNHZMLP-DOTOQJQBSA-N 2 1 349.544 3.359 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132266549 1375255357 /nfs/dbraw/zinc/25/53/57/1375255357.db2.gz YDPZLUNKPYZMSW-QZTJIDSGSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340210 1375319645 /nfs/dbraw/zinc/31/96/45/1375319645.db2.gz OPSQZZRMKZROQG-QUCCMNQESA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001226766723 1375329442 /nfs/dbraw/zinc/32/94/42/1375329442.db2.gz OCTZBZYRKXFNNW-GUDVDZBRSA-N 2 1 335.536 3.233 20 30 EGEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001132365373 1375331079 /nfs/dbraw/zinc/33/10/79/1375331079.db2.gz JNVJFZRHUNFRDG-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365373 1375331084 /nfs/dbraw/zinc/33/10/84/1375331084.db2.gz JNVJFZRHUNFRDG-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@@H]1C ZINC001132365373 1375331087 /nfs/dbraw/zinc/33/10/87/1375331087.db2.gz JNVJFZRHUNFRDG-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410067 1375358899 /nfs/dbraw/zinc/35/88/99/1375358899.db2.gz JKIAQWUDMPBIIO-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410067 1375358904 /nfs/dbraw/zinc/35/89/04/1375358904.db2.gz JKIAQWUDMPBIIO-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410067 1375358909 /nfs/dbraw/zinc/35/89/09/1375358909.db2.gz JKIAQWUDMPBIIO-QZTJIDSGSA-N 2 1 325.541 3.268 20 30 EGEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@@H]1C ZINC001132419496 1375366830 /nfs/dbraw/zinc/36/68/30/1375366830.db2.gz CPVKBBCCKFUKJN-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132440730 1375385864 /nfs/dbraw/zinc/38/58/64/1375385864.db2.gz FDANSWUGJCDOOO-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132440730 1375385869 /nfs/dbraw/zinc/38/58/69/1375385869.db2.gz FDANSWUGJCDOOO-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132440730 1375385873 /nfs/dbraw/zinc/38/58/73/1375385873.db2.gz FDANSWUGJCDOOO-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464735 1375433347 /nfs/dbraw/zinc/43/33/47/1375433347.db2.gz PIRAGXLKHCCCTQ-IRXDYDNUSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001228138234 1375520375 /nfs/dbraw/zinc/52/03/75/1375520375.db2.gz RHUQHEGVAJYNNH-IPMKNSEASA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133147235 1375808211 /nfs/dbraw/zinc/80/82/11/1375808211.db2.gz QQJLGXUMAGAUPF-MSOLQXFVSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001133274540 1375888957 /nfs/dbraw/zinc/88/89/57/1375888957.db2.gz JUJHPCJGADTCOC-MOPGFXCFSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230628485 1376106523 /nfs/dbraw/zinc/10/65/23/1376106523.db2.gz IJHJGNYZIJAZNX-FQEVSTJZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076471 1376882065 /nfs/dbraw/zinc/88/20/65/1376882065.db2.gz BKOBMEVVTAJNFE-MSOLQXFVSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390422 1379162946 /nfs/dbraw/zinc/16/29/46/1379162946.db2.gz GVYNPTAOBMLDND-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313489 1380053792 /nfs/dbraw/zinc/05/37/92/1380053792.db2.gz SQCJPLVHWPLWMW-RTBURBONSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313489 1380053795 /nfs/dbraw/zinc/05/37/95/1380053795.db2.gz SQCJPLVHWPLWMW-RTBURBONSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313489 1380053797 /nfs/dbraw/zinc/05/37/97/1380053797.db2.gz SQCJPLVHWPLWMW-RTBURBONSA-N 2 1 337.552 3.432 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155611555 1380473537 /nfs/dbraw/zinc/47/35/37/1380473537.db2.gz IRKBBXJQEROLJN-QGZVFWFLSA-N 2 1 334.508 3.189 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155611555 1380473538 /nfs/dbraw/zinc/47/35/38/1380473538.db2.gz IRKBBXJQEROLJN-QGZVFWFLSA-N 2 1 334.508 3.189 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158083292 1381123272 /nfs/dbraw/zinc/12/32/72/1381123272.db2.gz UAWWLIPVVOCSRB-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158083292 1381123275 /nfs/dbraw/zinc/12/32/75/1381123275.db2.gz UAWWLIPVVOCSRB-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158083292 1381123280 /nfs/dbraw/zinc/12/32/80/1381123280.db2.gz UAWWLIPVVOCSRB-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289985 1381186578 /nfs/dbraw/zinc/18/65/78/1381186578.db2.gz RDXDUYTYADUNAY-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329588 1381204156 /nfs/dbraw/zinc/20/41/56/1381204156.db2.gz ROFMLYRYMJVAEH-QRVBRYPASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329588 1381204164 /nfs/dbraw/zinc/20/41/64/1381204164.db2.gz ROFMLYRYMJVAEH-QRVBRYPASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329588 1381204168 /nfs/dbraw/zinc/20/41/68/1381204168.db2.gz ROFMLYRYMJVAEH-QRVBRYPASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158555691 1381296153 /nfs/dbraw/zinc/29/61/53/1381296153.db2.gz XEUSFFPKHMMCTA-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1C(C)C ZINC001158555691 1381296165 /nfs/dbraw/zinc/29/61/65/1381296165.db2.gz XEUSFFPKHMMCTA-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804995 1382202562 /nfs/dbraw/zinc/20/25/62/1382202562.db2.gz XYLBURNCMWSTQH-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167224893 1383569949 /nfs/dbraw/zinc/56/99/49/1383569949.db2.gz MHEGFXNJIIIYDQ-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153890 1384116072 /nfs/dbraw/zinc/11/60/72/1384116072.db2.gz LVBCHAUDZBEYOE-DMUMMCEESA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153890 1384116074 /nfs/dbraw/zinc/11/60/74/1384116074.db2.gz LVBCHAUDZBEYOE-DMUMMCEESA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153890 1384116076 /nfs/dbraw/zinc/11/60/76/1384116076.db2.gz LVBCHAUDZBEYOE-DMUMMCEESA-N 2 1 325.456 3.027 20 30 EGEDMP Cc1ccc[nH+]c1N([C@@H](C)Cc1cccc(C#N)c1)C1CC[NH2+]CC1 ZINC001171233161 1384475960 /nfs/dbraw/zinc/47/59/60/1384475960.db2.gz ZPHHWBYISAWOJW-KRWDZBQOSA-N 2 1 334.467 3.451 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171237558 1384476677 /nfs/dbraw/zinc/47/66/77/1384476677.db2.gz QVYWVKZARKBWOJ-RTBURBONSA-N 2 1 337.552 3.195 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171247595 1384477651 /nfs/dbraw/zinc/47/76/51/1384477651.db2.gz MUKXMTRVBSENDA-IEBWSBKVSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1 ZINC001171261050 1384481268 /nfs/dbraw/zinc/48/12/68/1384481268.db2.gz QESBLPVKKRHWFT-IBGZPJMESA-N 2 1 348.450 3.145 20 30 EGEDMP N#Cc1ccc(C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001172221937 1384750677 /nfs/dbraw/zinc/75/06/77/1384750677.db2.gz CQVNPNZURHMJQE-YRMMNHGISA-N 2 1 339.483 3.340 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001172300058 1384763127 /nfs/dbraw/zinc/76/31/27/1384763127.db2.gz RMWISYAEIAZVKE-QGZVFWFLSA-N 2 1 349.478 3.449 20 30 EGEDMP C=CCOC1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001173316976 1384957131 /nfs/dbraw/zinc/95/71/31/1384957131.db2.gz QDCJDTYTCFWBHJ-UHFFFAOYSA-N 2 1 344.499 3.460 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001317930191 1385571899 /nfs/dbraw/zinc/57/18/99/1385571899.db2.gz GIUGRUXELPCXDM-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317930191 1385571903 /nfs/dbraw/zinc/57/19/03/1385571903.db2.gz GIUGRUXELPCXDM-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317930191 1385571908 /nfs/dbraw/zinc/57/19/08/1385571908.db2.gz GIUGRUXELPCXDM-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176760204 1385686781 /nfs/dbraw/zinc/68/67/81/1385686781.db2.gz RMYSXEBIYNBBJX-HKUYNNGSSA-N 2 1 331.504 3.130 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001177342457 1385921638 /nfs/dbraw/zinc/92/16/38/1385921638.db2.gz NZMRUUZSFCFNMU-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177416111 1385949717 /nfs/dbraw/zinc/94/97/17/1385949717.db2.gz UZLTZYGCASFPRA-AZUAARDMSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177466733 1385966762 /nfs/dbraw/zinc/96/67/62/1385966762.db2.gz DGGIWSAWSVRQHP-HXUWFJFHSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001179353466 1386461104 /nfs/dbraw/zinc/46/11/04/1386461104.db2.gz LUHAYWKFNVOLCN-QGZVFWFLSA-N 2 1 343.943 3.127 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001179353465 1386461217 /nfs/dbraw/zinc/46/12/17/1386461217.db2.gz LUHAYWKFNVOLCN-KRWDZBQOSA-N 2 1 343.943 3.127 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179593174 1386526790 /nfs/dbraw/zinc/52/67/90/1386526790.db2.gz YNILXJKGJMWNFE-SFHVURJKSA-N 2 1 337.552 3.339 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714306 1386562208 /nfs/dbraw/zinc/56/22/08/1386562208.db2.gz OQLXMLAXHHLRCO-UHFFFAOYSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179746435 1386570766 /nfs/dbraw/zinc/57/07/66/1386570766.db2.gz UGPFKXHUKPGHIF-LJQANCHMSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788015 1386585726 /nfs/dbraw/zinc/58/57/26/1386585726.db2.gz JBUMRLDILKEQIH-RTBURBONSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346420 1387153984 /nfs/dbraw/zinc/15/39/84/1387153984.db2.gz PENIEFXGGMZVEX-SFHLNBCPSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623120 1387198233 /nfs/dbraw/zinc/19/82/33/1387198233.db2.gz CAIZWSOFEQKZSW-LVCYWYKZSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001731547011 1427563675 /nfs/dbraw/zinc/56/36/75/1427563675.db2.gz CXCMGOFRRLDFAX-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001752320397 1440170513 /nfs/dbraw/zinc/17/05/13/1440170513.db2.gz GIUGRUXELPCXDM-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752320397 1440170515 /nfs/dbraw/zinc/17/05/15/1440170515.db2.gz GIUGRUXELPCXDM-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001752320397 1440170517 /nfs/dbraw/zinc/17/05/17/1440170517.db2.gz GIUGRUXELPCXDM-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001752821105 1440220381 /nfs/dbraw/zinc/22/03/81/1440220381.db2.gz VZHVUCKRWGDTSL-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001752821105 1440220382 /nfs/dbraw/zinc/22/03/82/1440220382.db2.gz VZHVUCKRWGDTSL-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001752821105 1440220383 /nfs/dbraw/zinc/22/03/83/1440220383.db2.gz VZHVUCKRWGDTSL-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001753062227 1440283787 /nfs/dbraw/zinc/28/37/87/1440283787.db2.gz ZCLSYBNNKPKSDK-PKOBYXMFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001753062227 1440283788 /nfs/dbraw/zinc/28/37/88/1440283788.db2.gz ZCLSYBNNKPKSDK-PKOBYXMFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001753062227 1440283789 /nfs/dbraw/zinc/28/37/89/1440283789.db2.gz ZCLSYBNNKPKSDK-PKOBYXMFSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001753405243 1440391668 /nfs/dbraw/zinc/39/16/68/1440391668.db2.gz HNRIEQDSEMWMQI-RTBURBONSA-N 2 1 335.536 3.022 20 30 EGEDMP C=CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001753562607 1440437148 /nfs/dbraw/zinc/43/71/48/1440437148.db2.gz SYCXHVXFEFBHEO-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001753570123 1440438297 /nfs/dbraw/zinc/43/82/97/1440438297.db2.gz BXPIKZWTPWTFKK-PMACEKPBSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001753589243 1440442298 /nfs/dbraw/zinc/44/22/98/1440442298.db2.gz RWXQHBGCHFTMAY-GOSISDBHSA-N 2 1 349.906 3.019 20 30 EGEDMP C=C(C)C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CCCCCC1 ZINC001754545880 1440627505 /nfs/dbraw/zinc/62/75/05/1440627505.db2.gz XUZXAAOSUZRUJB-UHFFFAOYSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CCCCCC1 ZINC001754545880 1440627506 /nfs/dbraw/zinc/62/75/06/1440627506.db2.gz XUZXAAOSUZRUJB-UHFFFAOYSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CCCCCC1 ZINC001754545880 1440627507 /nfs/dbraw/zinc/62/75/07/1440627507.db2.gz XUZXAAOSUZRUJB-UHFFFAOYSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001754626424 1440646524 /nfs/dbraw/zinc/64/65/24/1440646524.db2.gz BTLNMSNEKGPDCI-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)c1ccc2ccccc2c1 ZINC001754644605 1440649899 /nfs/dbraw/zinc/64/98/99/1440649899.db2.gz VFGUUDZOKDFHER-FQEVSTJZSA-N 2 1 339.483 3.113 20 30 EGEDMP C=CCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001755130593 1440757071 /nfs/dbraw/zinc/75/70/71/1440757071.db2.gz LIXKFOFSQJXIIP-GOSISDBHSA-N 2 1 335.536 3.188 20 30 EGEDMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccc(C#N)c3)CC2)nc(C)[nH+]1 ZINC000181862777 234358005 /nfs/dbraw/zinc/35/80/05/234358005.db2.gz RVEPQKMLUVCCNZ-OAHLLOKOSA-N 2 1 335.455 3.285 20 30 EGEDMP C=CCc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000271040945 201241591 /nfs/dbraw/zinc/24/15/91/201241591.db2.gz MQOATPKVTJSKJR-UHFFFAOYSA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000271040945 201241594 /nfs/dbraw/zinc/24/15/94/201241594.db2.gz MQOATPKVTJSKJR-UHFFFAOYSA-N 2 1 332.488 3.434 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190771064 153157843 /nfs/dbraw/zinc/15/78/43/153157843.db2.gz MTXJKHZECARQJK-KRWDZBQOSA-N 2 1 336.483 3.418 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC000358143360 156713298 /nfs/dbraw/zinc/71/32/98/156713298.db2.gz SVRCJVQESMFKCI-IZIZEDOESA-N 2 1 327.472 3.321 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000358143360 156713302 /nfs/dbraw/zinc/71/33/02/156713302.db2.gz SVRCJVQESMFKCI-IZIZEDOESA-N 2 1 327.472 3.321 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000421322645 268233443 /nfs/dbraw/zinc/23/34/43/268233443.db2.gz GUBATHJDYWTNPW-IBGZPJMESA-N 2 1 337.442 3.352 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000421322645 268233444 /nfs/dbraw/zinc/23/34/44/268233444.db2.gz GUBATHJDYWTNPW-IBGZPJMESA-N 2 1 337.442 3.352 20 30 EGEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576283166 324582811 /nfs/dbraw/zinc/58/28/11/324582811.db2.gz FMZXFFFJIQJTKC-QZTJIDSGSA-N 2 1 344.459 3.457 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)CC1 ZINC000106245640 454687824 /nfs/dbraw/zinc/68/78/24/454687824.db2.gz XIIZSYWEGZGIAC-UHFFFAOYSA-N 2 1 340.471 3.215 20 30 EGEDMP C=CCc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(OC)c1O ZINC000093659995 454727631 /nfs/dbraw/zinc/72/76/31/454727631.db2.gz DULZEDGFOXFZSO-SFHVURJKSA-N 2 1 332.488 3.436 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc(OC)c1O ZINC000093659995 454727636 /nfs/dbraw/zinc/72/76/36/454727636.db2.gz DULZEDGFOXFZSO-SFHVURJKSA-N 2 1 332.488 3.436 20 30 EGEDMP C=CCc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc(OC)c1O ZINC000093659995 454727641 /nfs/dbraw/zinc/72/76/41/454727641.db2.gz DULZEDGFOXFZSO-SFHVURJKSA-N 2 1 332.488 3.436 20 30 EGEDMP C=CCc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc(OC)c1O ZINC000093659995 454727646 /nfs/dbraw/zinc/72/76/46/454727646.db2.gz DULZEDGFOXFZSO-SFHVURJKSA-N 2 1 332.488 3.436 20 30 EGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000177482236 454868623 /nfs/dbraw/zinc/86/86/23/454868623.db2.gz DSHGRLYXKXIMIG-HDICACEKSA-N 2 1 341.499 3.270 20 30 EGEDMP C=CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000178877259 454986697 /nfs/dbraw/zinc/98/66/97/454986697.db2.gz AMGHKJPBAOEBGM-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)o3)CC2)cs1 ZINC000174377971 455384320 /nfs/dbraw/zinc/38/43/20/455384320.db2.gz YPGMZVOCPCHZRY-UHFFFAOYSA-N 2 1 344.484 3.172 20 30 EGEDMP C=CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000248461879 455715256 /nfs/dbraw/zinc/71/52/56/455715256.db2.gz XWACJGNTXVTMPZ-LEWJYISDSA-N 2 1 328.500 3.478 20 30 EGEDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)C[C@@H]2C1 ZINC000194534784 455856194 /nfs/dbraw/zinc/85/61/94/455856194.db2.gz YTOQYBNYYWMOQP-OYRHEFFESA-N 2 1 347.462 3.131 20 30 EGEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)C[C@@H]2C1 ZINC000194534784 455856198 /nfs/dbraw/zinc/85/61/98/455856198.db2.gz YTOQYBNYYWMOQP-OYRHEFFESA-N 2 1 347.462 3.131 20 30 EGEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C[C@@H]2C1 ZINC000194534784 455856201 /nfs/dbraw/zinc/85/62/01/455856201.db2.gz YTOQYBNYYWMOQP-OYRHEFFESA-N 2 1 347.462 3.131 20 30 EGEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C[C@@H]2C1 ZINC000194534784 455856204 /nfs/dbraw/zinc/85/62/04/455856204.db2.gz YTOQYBNYYWMOQP-OYRHEFFESA-N 2 1 347.462 3.131 20 30 EGEDMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)ccc1C#N ZINC000340394607 456436226 /nfs/dbraw/zinc/43/62/26/456436226.db2.gz KDWSRDXRBZRCNA-VQTJNVASSA-N 2 1 335.451 3.492 20 30 EGEDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)ccc1C#N ZINC000340394607 456436232 /nfs/dbraw/zinc/43/62/32/456436232.db2.gz KDWSRDXRBZRCNA-VQTJNVASSA-N 2 1 335.451 3.492 20 30 EGEDMP C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000344641771 456842397 /nfs/dbraw/zinc/84/23/97/456842397.db2.gz RMLLPGVPENBLCL-LPHOPBHVSA-N 2 1 337.471 3.036 20 30 EGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC(C)(C)C#N)CC2)CC1 ZINC000345746602 456991230 /nfs/dbraw/zinc/99/12/30/456991230.db2.gz NPMMJDKGGMHONF-UHFFFAOYSA-N 2 1 334.552 3.054 20 30 EGEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CCC(C)(C)C#N ZINC000345746602 456991234 /nfs/dbraw/zinc/99/12/34/456991234.db2.gz NPMMJDKGGMHONF-UHFFFAOYSA-N 3 1 334.552 3.054 20 30 EGEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CCC(C)(C)C#N ZINC000345746602 456991239 /nfs/dbraw/zinc/99/12/39/456991239.db2.gz NPMMJDKGGMHONF-UHFFFAOYSA-N 3 1 334.552 3.054 20 30 EGEDMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C#N ZINC000443983745 457832378 /nfs/dbraw/zinc/83/23/78/457832378.db2.gz FAZBRINHMWCNPO-QFIPXVFZSA-N 2 1 349.478 3.113 20 30 EGEDMP C[N@H+](Cc1cccc(OCCCC#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377630074 458507129 /nfs/dbraw/zinc/50/71/29/458507129.db2.gz SFEBHDXDXJNGTN-DFNIBXOVSA-N 2 1 327.472 3.426 20 30 EGEDMP C[N@@H+](Cc1cccc(OCCCC#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377630074 458507138 /nfs/dbraw/zinc/50/71/38/458507138.db2.gz SFEBHDXDXJNGTN-DFNIBXOVSA-N 2 1 327.472 3.426 20 30 EGEDMP C[NH+](Cc1cccc(OCCCC#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377630074 458507144 /nfs/dbraw/zinc/50/71/44/458507144.db2.gz SFEBHDXDXJNGTN-DFNIBXOVSA-N 2 1 327.472 3.426 20 30 EGEDMP C[NH+](Cc1cccc(OCCCC#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377630074 458507149 /nfs/dbraw/zinc/50/71/49/458507149.db2.gz SFEBHDXDXJNGTN-DFNIBXOVSA-N 2 1 327.472 3.426 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000377885200 458563063 /nfs/dbraw/zinc/56/30/63/458563063.db2.gz RQWJAOVTTOHTAB-APWZRJJASA-N 2 1 327.472 3.141 20 30 EGEDMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1)CC(C)C ZINC000598601262 459958883 /nfs/dbraw/zinc/95/88/83/459958883.db2.gz RWCCJYJUYUHHTP-LJQANCHMSA-N 2 1 337.552 3.367 20 30 EGEDMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000602578098 460006064 /nfs/dbraw/zinc/00/60/64/460006064.db2.gz YYKHBJARVBYXLC-MJGOQNOKSA-N 2 1 334.467 3.344 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000602647204 460041976 /nfs/dbraw/zinc/04/19/76/460041976.db2.gz WWBMDQQCYNFUNI-HKUYNNGSSA-N 2 1 333.520 3.472 20 30 EGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576283167 460107387 /nfs/dbraw/zinc/10/73/87/460107387.db2.gz FMZXFFFJIQJTKC-ROUUACIJSA-N 2 1 344.459 3.457 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000246980758 1296378028 /nfs/dbraw/zinc/37/80/28/1296378028.db2.gz JQIOASXFAZAKQR-FXAWDEMLSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000246980758 1296378034 /nfs/dbraw/zinc/37/80/34/1296378034.db2.gz JQIOASXFAZAKQR-FXAWDEMLSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000246980758 1296378049 /nfs/dbraw/zinc/37/80/49/1296378049.db2.gz JQIOASXFAZAKQR-FXAWDEMLSA-N 2 1 344.499 3.436 20 30 EGEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303784440 1296855740 /nfs/dbraw/zinc/85/57/40/1296855740.db2.gz PBSNYVBIBOSZFH-LPHOPBHVSA-N 2 1 346.519 3.284 20 30 EGEDMP Cc1ccc([C@H](CNC(=[NH2+])NC2CCCCCC2)[NH+]2CCCC2)o1 ZINC000305745648 1297042195 /nfs/dbraw/zinc/04/21/95/1297042195.db2.gz OKBFWMKGEDSSRE-KRWDZBQOSA-N 2 1 332.492 3.352 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000385507225 1297583651 /nfs/dbraw/zinc/58/36/51/1297583651.db2.gz MABIFVZSMULVAJ-LBPRGKRZSA-N 2 1 327.291 3.043 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000385507225 1297583655 /nfs/dbraw/zinc/58/36/55/1297583655.db2.gz MABIFVZSMULVAJ-LBPRGKRZSA-N 2 1 327.291 3.043 20 30 EGEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)C2)CC1 ZINC000755776199 1300395806 /nfs/dbraw/zinc/39/58/06/1300395806.db2.gz YFZCNDXCKHLPSW-FQEVSTJZSA-N 2 1 349.482 3.043 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561601 1317458620 /nfs/dbraw/zinc/45/86/20/1317458620.db2.gz WDDRELKCICGLSV-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP CN(C)C(NCc1ccccc1)=[NH+]CCC[N@@H+](C)C1CCCCC1 ZINC000849059903 1322063675 /nfs/dbraw/zinc/06/36/75/1322063675.db2.gz WBVCYFQSLYXTNG-UHFFFAOYSA-N 2 1 330.520 3.348 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924983982 1323236635 /nfs/dbraw/zinc/23/66/35/1323236635.db2.gz KYLZEIPUQVHLKL-YWZLYKJASA-N 2 1 347.478 3.022 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479178 1323430836 /nfs/dbraw/zinc/43/08/36/1323430836.db2.gz BALQZSTZSPKQJJ-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479178 1323430840 /nfs/dbraw/zinc/43/08/40/1323430840.db2.gz BALQZSTZSPKQJJ-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479178 1323430844 /nfs/dbraw/zinc/43/08/44/1323430844.db2.gz BALQZSTZSPKQJJ-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345035 1325136309 /nfs/dbraw/zinc/13/63/09/1325136309.db2.gz CWMBKOLPVZRSQT-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963430398 1325242163 /nfs/dbraw/zinc/24/21/63/1325242163.db2.gz UZOGUAIZRKAEHK-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885271 1328352950 /nfs/dbraw/zinc/35/29/50/1328352950.db2.gz CFOMHNRVCGUXOR-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885271 1328352955 /nfs/dbraw/zinc/35/29/55/1328352955.db2.gz CFOMHNRVCGUXOR-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885271 1328352963 /nfs/dbraw/zinc/35/29/63/1328352963.db2.gz CFOMHNRVCGUXOR-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908267 1333302412 /nfs/dbraw/zinc/30/24/12/1333302412.db2.gz QUBICYOAKJEMJZ-XLIONFOSSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888411 1336080751 /nfs/dbraw/zinc/08/07/51/1336080751.db2.gz UQVJMMYJASPZPO-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888411 1336080753 /nfs/dbraw/zinc/08/07/53/1336080753.db2.gz UQVJMMYJASPZPO-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968888411 1336080756 /nfs/dbraw/zinc/08/07/56/1336080756.db2.gz UQVJMMYJASPZPO-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888269 1336080795 /nfs/dbraw/zinc/08/07/95/1336080795.db2.gz RYQXUXCVUHFZHA-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888269 1336080799 /nfs/dbraw/zinc/08/07/99/1336080799.db2.gz RYQXUXCVUHFZHA-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968888269 1336080801 /nfs/dbraw/zinc/08/08/01/1336080801.db2.gz RYQXUXCVUHFZHA-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000969060004 1336133834 /nfs/dbraw/zinc/13/38/34/1336133834.db2.gz UVTCRUZXWOZLPU-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060004 1336133835 /nfs/dbraw/zinc/13/38/35/1336133835.db2.gz UVTCRUZXWOZLPU-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000969060004 1336133837 /nfs/dbraw/zinc/13/38/37/1336133837.db2.gz UVTCRUZXWOZLPU-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719497 1336335464 /nfs/dbraw/zinc/33/54/64/1336335464.db2.gz RZWIPMZNMJSLTP-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034437076 1342498923 /nfs/dbraw/zinc/49/89/23/1342498923.db2.gz DMNGFUKQCWNEQW-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437076 1342498924 /nfs/dbraw/zinc/49/89/24/1342498924.db2.gz DMNGFUKQCWNEQW-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437076 1342498926 /nfs/dbraw/zinc/49/89/26/1342498926.db2.gz DMNGFUKQCWNEQW-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035256587 1343082746 /nfs/dbraw/zinc/08/27/46/1343082746.db2.gz JMAFTKGHZCNATK-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039424036 1345061401 /nfs/dbraw/zinc/06/14/01/1345061401.db2.gz YPANWZUASAEFGU-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039424036 1345061402 /nfs/dbraw/zinc/06/14/02/1345061402.db2.gz YPANWZUASAEFGU-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039424036 1345061403 /nfs/dbraw/zinc/06/14/03/1345061403.db2.gz YPANWZUASAEFGU-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039457986 1345077294 /nfs/dbraw/zinc/07/72/94/1345077294.db2.gz AHQFQYUPXOBIHK-AABGKKOBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039457986 1345077296 /nfs/dbraw/zinc/07/72/96/1345077296.db2.gz AHQFQYUPXOBIHK-AABGKKOBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001039457986 1345077298 /nfs/dbraw/zinc/07/72/98/1345077298.db2.gz AHQFQYUPXOBIHK-AABGKKOBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040328582 1345434985 /nfs/dbraw/zinc/43/49/85/1345434985.db2.gz NLAYCHKKZPTEII-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938169 1346774178 /nfs/dbraw/zinc/77/41/78/1346774178.db2.gz TYYBOIRUXSYDQF-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938169 1346774181 /nfs/dbraw/zinc/77/41/81/1346774181.db2.gz TYYBOIRUXSYDQF-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001045938169 1346774182 /nfs/dbraw/zinc/77/41/82/1346774182.db2.gz TYYBOIRUXSYDQF-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486133 1347871751 /nfs/dbraw/zinc/87/17/51/1347871751.db2.gz QNHYZUPTQLTLTN-KZNAEPCWSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486133 1347871752 /nfs/dbraw/zinc/87/17/52/1347871752.db2.gz QNHYZUPTQLTLTN-KZNAEPCWSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049921414 1348113969 /nfs/dbraw/zinc/11/39/69/1348113969.db2.gz WGMZXHFJFLBHBS-WOJBJXKFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446620 1348542900 /nfs/dbraw/zinc/54/29/00/1348542900.db2.gz MHLSURLQWXYHPS-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446620 1348542903 /nfs/dbraw/zinc/54/29/03/1348542903.db2.gz MHLSURLQWXYHPS-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446620 1348542904 /nfs/dbraw/zinc/54/29/04/1348542904.db2.gz MHLSURLQWXYHPS-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209240 1349210537 /nfs/dbraw/zinc/21/05/37/1349210537.db2.gz MAXOZVKFFFMAOI-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209240 1349210539 /nfs/dbraw/zinc/21/05/39/1349210539.db2.gz MAXOZVKFFFMAOI-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209240 1349210543 /nfs/dbraw/zinc/21/05/43/1349210543.db2.gz MAXOZVKFFFMAOI-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071975787 1355055157 /nfs/dbraw/zinc/05/51/57/1355055157.db2.gz ZERVNLQEAGMXTG-FXAWDEMLSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458304 1356390278 /nfs/dbraw/zinc/39/02/78/1356390278.db2.gz BRSOPSKULIYMAP-QUCCMNQESA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001085225365 1358437759 /nfs/dbraw/zinc/43/77/59/1358437759.db2.gz SPOSYTYRRGRFKZ-BRWVUGGUSA-N 2 1 341.927 3.019 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183826369 1387354914 /nfs/dbraw/zinc/35/49/14/1387354914.db2.gz KMDBPRPGZQFCQQ-DLBZAZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086927141 1359251894 /nfs/dbraw/zinc/25/18/94/1359251894.db2.gz TWPKLCXTZGDTGG-SFHVURJKSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089379924 1360382647 /nfs/dbraw/zinc/38/26/47/1360382647.db2.gz APBZEJMPJZLMDJ-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089379924 1360382648 /nfs/dbraw/zinc/38/26/48/1360382648.db2.gz APBZEJMPJZLMDJ-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089379924 1360382652 /nfs/dbraw/zinc/38/26/52/1360382652.db2.gz APBZEJMPJZLMDJ-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001184683329 1387508199 /nfs/dbraw/zinc/50/81/99/1387508199.db2.gz HTNQADDYJDFYHL-MSOLQXFVSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184808955 1387543575 /nfs/dbraw/zinc/54/35/75/1387543575.db2.gz CASBLVMOLMSAFD-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099116273 1363632007 /nfs/dbraw/zinc/63/20/07/1363632007.db2.gz OYWGXIPDLSATQG-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116273 1363632010 /nfs/dbraw/zinc/63/20/10/1363632010.db2.gz OYWGXIPDLSATQG-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116273 1363632014 /nfs/dbraw/zinc/63/20/14/1363632014.db2.gz OYWGXIPDLSATQG-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310625 1363744009 /nfs/dbraw/zinc/74/40/09/1363744009.db2.gz RHKLIBRTBVRBPF-MRXNPFEDSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310625 1363744012 /nfs/dbraw/zinc/74/40/12/1363744012.db2.gz RHKLIBRTBVRBPF-MRXNPFEDSA-N 2 1 343.943 3.078 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529096 1363834256 /nfs/dbraw/zinc/83/42/56/1363834256.db2.gz LFVRQCJPPBCLPQ-NMLBUPMWSA-N 2 1 349.563 3.077 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729930 1364238139 /nfs/dbraw/zinc/23/81/39/1364238139.db2.gz WEAKUHMVAMLAOV-AOCRQIFASA-N 2 1 346.519 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100858324 1364295387 /nfs/dbraw/zinc/29/53/87/1364295387.db2.gz PORGYQBERBETBZ-LYBXBRPPSA-N 2 1 343.515 3.130 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101267910 1364492369 /nfs/dbraw/zinc/49/23/69/1364492369.db2.gz YATPMLMVXRRTJM-QUCCMNQESA-N 2 1 349.563 3.221 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001102044877 1364821726 /nfs/dbraw/zinc/82/17/26/1364821726.db2.gz IZPNULYOIHEEKE-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001102044877 1364821731 /nfs/dbraw/zinc/82/17/31/1364821731.db2.gz IZPNULYOIHEEKE-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001102044877 1364821735 /nfs/dbraw/zinc/82/17/35/1364821735.db2.gz IZPNULYOIHEEKE-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102122982 1364872933 /nfs/dbraw/zinc/87/29/33/1364872933.db2.gz XMHCNAYFCWWATM-RTBURBONSA-N 2 1 349.563 3.269 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001103049696 1365355675 /nfs/dbraw/zinc/35/56/75/1365355675.db2.gz AQZABWDJZSTGLG-HZPDHXFCSA-N 2 1 349.544 3.074 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359356 1365517153 /nfs/dbraw/zinc/51/71/53/1365517153.db2.gz WLBMEAAUJOJLHJ-AQNXPRMDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359356 1365517156 /nfs/dbraw/zinc/51/71/56/1365517156.db2.gz WLBMEAAUJOJLHJ-AQNXPRMDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359356 1365517159 /nfs/dbraw/zinc/51/71/59/1365517159.db2.gz WLBMEAAUJOJLHJ-AQNXPRMDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103493728 1365596054 /nfs/dbraw/zinc/59/60/54/1365596054.db2.gz CUMOQXAQRFQLQF-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001103493728 1365596055 /nfs/dbraw/zinc/59/60/55/1365596055.db2.gz CUMOQXAQRFQLQF-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497455 1365597631 /nfs/dbraw/zinc/59/76/31/1365597631.db2.gz HEGDITYZSAUXEY-QWFCFKBJSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753543 1365764811 /nfs/dbraw/zinc/76/48/11/1365764811.db2.gz OKIGQUHKIUGDBX-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518072 1366505437 /nfs/dbraw/zinc/50/54/37/1366505437.db2.gz QHEANSGMPAZQFG-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106905636 1366829155 /nfs/dbraw/zinc/82/91/55/1366829155.db2.gz ZXYTVSHNJVAUEX-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543993 1367035023 /nfs/dbraw/zinc/03/50/23/1367035023.db2.gz HMSPGYXDGABHID-NLWGTHIKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107581663 1367055727 /nfs/dbraw/zinc/05/57/27/1367055727.db2.gz IBLMCGLFFDCVGI-SFHLNBCPSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107632050 1367084858 /nfs/dbraw/zinc/08/48/58/1367084858.db2.gz NSFSDYYHSFFAOA-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632050 1367084861 /nfs/dbraw/zinc/08/48/61/1367084861.db2.gz NSFSDYYHSFFAOA-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107632050 1367084863 /nfs/dbraw/zinc/08/48/63/1367084863.db2.gz NSFSDYYHSFFAOA-SFHLNBCPSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190173779 1367190240 /nfs/dbraw/zinc/19/02/40/1367190240.db2.gz AITVCQCYPMGJEX-ROUUACIJSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190788259 1367349970 /nfs/dbraw/zinc/34/99/70/1367349970.db2.gz HYCKLYFJKASTRE-MSOLQXFVSA-N 2 1 325.541 3.076 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542245 1367524085 /nfs/dbraw/zinc/52/40/85/1367524085.db2.gz FPENVLPJFJKMRG-WOJBJXKFSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020449 1368144331 /nfs/dbraw/zinc/14/43/31/1368144331.db2.gz CATONVMJEVVYNW-MANSERQUSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111020449 1368144335 /nfs/dbraw/zinc/14/43/35/1368144335.db2.gz CATONVMJEVVYNW-MANSERQUSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001111020449 1368144339 /nfs/dbraw/zinc/14/43/39/1368144339.db2.gz CATONVMJEVVYNW-MANSERQUSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274884 1368241073 /nfs/dbraw/zinc/24/10/73/1368241073.db2.gz MERVRLQNWNGYSH-MANSERQUSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274884 1368241077 /nfs/dbraw/zinc/24/10/77/1368241077.db2.gz MERVRLQNWNGYSH-MANSERQUSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111274884 1368241085 /nfs/dbraw/zinc/24/10/85/1368241085.db2.gz MERVRLQNWNGYSH-MANSERQUSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001111871087 1368518576 /nfs/dbraw/zinc/51/85/76/1368518576.db2.gz ZDOHNVMXYOHYRA-DYXWJJEUSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001111871087 1368518579 /nfs/dbraw/zinc/51/85/79/1368518579.db2.gz ZDOHNVMXYOHYRA-DYXWJJEUSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001111871087 1368518582 /nfs/dbraw/zinc/51/85/82/1368518582.db2.gz ZDOHNVMXYOHYRA-DYXWJJEUSA-N 2 1 349.563 3.412 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009404 1368613631 /nfs/dbraw/zinc/61/36/31/1368613631.db2.gz ANJVZKJBJZIXIB-ICSRJNTNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009404 1368613634 /nfs/dbraw/zinc/61/36/34/1368613634.db2.gz ANJVZKJBJZIXIB-ICSRJNTNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009404 1368613637 /nfs/dbraw/zinc/61/36/37/1368613637.db2.gz ANJVZKJBJZIXIB-ICSRJNTNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020677 1368623052 /nfs/dbraw/zinc/62/30/52/1368623052.db2.gz UCVGQJGJBZPYIB-FPOVZHCZSA-N 2 1 347.547 3.189 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196619419 1368650457 /nfs/dbraw/zinc/65/04/57/1368650457.db2.gz AWSZBTCQCMCLRH-FQEVSTJZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001196902369 1368710459 /nfs/dbraw/zinc/71/04/59/1368710459.db2.gz ZXNXRGCJVLRTSA-HXUWFJFHSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001196902369 1368710463 /nfs/dbraw/zinc/71/04/63/1368710463.db2.gz ZXNXRGCJVLRTSA-HXUWFJFHSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001196902369 1368710466 /nfs/dbraw/zinc/71/04/66/1368710466.db2.gz ZXNXRGCJVLRTSA-HXUWFJFHSA-N 2 1 347.547 3.284 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001113419633 1369414302 /nfs/dbraw/zinc/41/43/02/1369414302.db2.gz YCWPMMXCWMQXSL-OALUTQOASA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001113419633 1369414304 /nfs/dbraw/zinc/41/43/04/1369414304.db2.gz YCWPMMXCWMQXSL-OALUTQOASA-N 2 1 335.536 3.118 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529056 1369479470 /nfs/dbraw/zinc/47/94/70/1369479470.db2.gz BUOXKCLCXVFFOA-AZUAARDMSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529056 1369479480 /nfs/dbraw/zinc/47/94/80/1369479480.db2.gz BUOXKCLCXVFFOA-AZUAARDMSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156560 1369702826 /nfs/dbraw/zinc/70/28/26/1369702826.db2.gz HKSWLAVTNUHKFA-HXUWFJFHSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001202156559 1369703003 /nfs/dbraw/zinc/70/30/03/1369703003.db2.gz HKSWLAVTNUHKFA-FQEVSTJZSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872650 1369914263 /nfs/dbraw/zinc/91/42/63/1369914263.db2.gz KPIFPSQMWUQJOJ-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105355 1369984824 /nfs/dbraw/zinc/98/48/24/1369984824.db2.gz XHDHEBYLLQNJTJ-QZTJIDSGSA-N 2 1 349.563 3.480 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312959 1370078718 /nfs/dbraw/zinc/07/87/18/1370078718.db2.gz LWGZFFPATBIMMS-HXUWFJFHSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579623 1370583674 /nfs/dbraw/zinc/58/36/74/1370583674.db2.gz XKOKDNOJRAJTHQ-INIZCTEOSA-N 2 1 341.927 3.022 20 30 EGEDMP C#CCC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001115648562 1370637358 /nfs/dbraw/zinc/63/73/58/1370637358.db2.gz XNIQLZRUZZNBPW-UHFFFAOYSA-N 2 1 347.547 3.073 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206024163 1370940920 /nfs/dbraw/zinc/94/09/20/1370940920.db2.gz ZFWQUFAFUAWTDD-HXUWFJFHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013103 1371567469 /nfs/dbraw/zinc/56/74/69/1371567469.db2.gz AESBJKGUZZNTKQ-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431470 1371575546 /nfs/dbraw/zinc/57/55/46/1371575546.db2.gz UDWLSXMEPLEYRK-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431470 1371575549 /nfs/dbraw/zinc/57/55/49/1371575549.db2.gz UDWLSXMEPLEYRK-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431470 1371575551 /nfs/dbraw/zinc/57/55/51/1371575551.db2.gz UDWLSXMEPLEYRK-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281558 1371697495 /nfs/dbraw/zinc/69/74/95/1371697495.db2.gz NSBPGAGPWOJXJZ-QZTJIDSGSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208361450 1371735655 /nfs/dbraw/zinc/73/56/55/1371735655.db2.gz DUAHCIICNFMRDW-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121295033 1371926778 /nfs/dbraw/zinc/92/67/78/1371926778.db2.gz MDSUNQAFCJIEGA-MBEFBZSESA-N 2 1 349.563 3.458 20 30 EGEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001121463788 1371983121 /nfs/dbraw/zinc/98/31/21/1371983121.db2.gz YHUQBRWVLQPSRG-UHFFFAOYSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001121978397 1372142395 /nfs/dbraw/zinc/14/23/95/1372142395.db2.gz NPXNKUOUXONVLY-RLLQIKCJSA-N 2 1 343.515 3.087 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210497682 1372367028 /nfs/dbraw/zinc/36/70/28/1372367028.db2.gz HMKHZSCYXSTLKE-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210497682 1372367030 /nfs/dbraw/zinc/36/70/30/1372367030.db2.gz HMKHZSCYXSTLKE-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210497682 1372367034 /nfs/dbraw/zinc/36/70/34/1372367034.db2.gz HMKHZSCYXSTLKE-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584904 1372385131 /nfs/dbraw/zinc/38/51/31/1372385131.db2.gz MKRHNPPYOUVRHZ-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210642075 1372397978 /nfs/dbraw/zinc/39/79/78/1372397978.db2.gz AUCKYNYKRBFKIJ-UXHICEINSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643517 1372398561 /nfs/dbraw/zinc/39/85/61/1372398561.db2.gz JVASWDFKPBDZMD-PMACEKPBSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCCC[NH+]1CCC(CNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001224883507 1375082394 /nfs/dbraw/zinc/08/23/94/1375082394.db2.gz CPNDWDRYXGAIGZ-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105509 1375149766 /nfs/dbraw/zinc/14/97/66/1375149766.db2.gz ILRVUZHOZCJCSD-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437162 1375382430 /nfs/dbraw/zinc/38/24/30/1375382430.db2.gz QXLJJZLYDUSYMD-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541560 1375450016 /nfs/dbraw/zinc/45/00/16/1375450016.db2.gz HEBDXKAJDSJIDC-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541560 1375450020 /nfs/dbraw/zinc/45/00/20/1375450020.db2.gz HEBDXKAJDSJIDC-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541560 1375450024 /nfs/dbraw/zinc/45/00/24/1375450024.db2.gz HEBDXKAJDSJIDC-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132541560 1375450028 /nfs/dbraw/zinc/45/00/28/1375450028.db2.gz HEBDXKAJDSJIDC-UYAOXDASSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001228112605 1375518881 /nfs/dbraw/zinc/51/88/81/1375518881.db2.gz HGFFIPJSNPTXIL-UHFFFAOYSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133315363 1375917960 /nfs/dbraw/zinc/91/79/60/1375917960.db2.gz SLGSBLCVEKBNCG-MJGOQNOKSA-N 2 1 346.519 3.012 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052553 1375936770 /nfs/dbraw/zinc/93/67/70/1375936770.db2.gz DXSPIOYZAKBQIN-UHFFFAOYSA-N 2 1 346.519 3.312 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390425 1379162855 /nfs/dbraw/zinc/16/28/55/1379162855.db2.gz GVYNPTAOBMLDND-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777161 1379266097 /nfs/dbraw/zinc/26/60/97/1379266097.db2.gz FBYNGDUEFYHGGT-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153491743 1380084544 /nfs/dbraw/zinc/08/45/44/1380084544.db2.gz QMXSJWVKVJCNDO-KZNAEPCWSA-N 2 1 325.541 3.124 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153491743 1380084546 /nfs/dbraw/zinc/08/45/46/1380084546.db2.gz QMXSJWVKVJCNDO-KZNAEPCWSA-N 2 1 325.541 3.124 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153491743 1380084548 /nfs/dbraw/zinc/08/45/48/1380084548.db2.gz QMXSJWVKVJCNDO-KZNAEPCWSA-N 2 1 325.541 3.124 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001155883921 1380502508 /nfs/dbraw/zinc/50/25/08/1380502508.db2.gz QNCPLIRBMYLOBW-QZTJIDSGSA-N 2 1 325.541 3.146 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157109534 1380778062 /nfs/dbraw/zinc/77/80/62/1380778062.db2.gz QHIPXWGZPXKHAD-RTBURBONSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109721 1380778254 /nfs/dbraw/zinc/77/82/54/1380778254.db2.gz SIOYSTPXPZSSDE-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109721 1380778257 /nfs/dbraw/zinc/77/82/57/1380778257.db2.gz SIOYSTPXPZSSDE-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001157109721 1380778260 /nfs/dbraw/zinc/77/82/60/1380778260.db2.gz SIOYSTPXPZSSDE-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158290021 1381187107 /nfs/dbraw/zinc/18/71/07/1381187107.db2.gz TVCOSAZPHBVCCA-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160121301 1382003885 /nfs/dbraw/zinc/00/38/85/1382003885.db2.gz WARFYXDVHHRVQU-UYAOXDASSA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160121301 1382003888 /nfs/dbraw/zinc/00/38/88/1382003888.db2.gz WARFYXDVHHRVQU-UYAOXDASSA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160121301 1382003890 /nfs/dbraw/zinc/00/38/90/1382003890.db2.gz WARFYXDVHHRVQU-UYAOXDASSA-N 2 1 347.547 3.352 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169319 1382023326 /nfs/dbraw/zinc/02/33/26/1382023326.db2.gz PKIWJVDILJUHCE-QGZVFWFLSA-N 2 1 344.503 3.111 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169319 1382023331 /nfs/dbraw/zinc/02/33/31/1382023331.db2.gz PKIWJVDILJUHCE-QGZVFWFLSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856523 1382217736 /nfs/dbraw/zinc/21/77/36/1382217736.db2.gz NGZDFCMYAYUFBK-SFHVURJKSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101940 1382297558 /nfs/dbraw/zinc/29/75/58/1382297558.db2.gz QLFAQPZGRVMYRT-UHFFFAOYSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161208031 1382342284 /nfs/dbraw/zinc/34/22/84/1382342284.db2.gz YMYNJYRTXQWNAT-IBGZPJMESA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161208031 1382342288 /nfs/dbraw/zinc/34/22/88/1382342288.db2.gz YMYNJYRTXQWNAT-IBGZPJMESA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161208031 1382342290 /nfs/dbraw/zinc/34/22/90/1382342290.db2.gz YMYNJYRTXQWNAT-IBGZPJMESA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444586 1382413491 /nfs/dbraw/zinc/41/34/91/1382413491.db2.gz HDBCWGHXAPASNX-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444586 1382413496 /nfs/dbraw/zinc/41/34/96/1382413496.db2.gz HDBCWGHXAPASNX-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444586 1382413498 /nfs/dbraw/zinc/41/34/98/1382413498.db2.gz HDBCWGHXAPASNX-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704882 1382485411 /nfs/dbraw/zinc/48/54/11/1382485411.db2.gz IXUAMNJXUJMNAM-VQTJNVASSA-N 2 1 347.547 3.211 20 30 EGEDMP CCC[N@H+]1CCCC[C@@H]1c1ccc(NC2(C#N)CC[NH+](C)CC2)nc1 ZINC001162231690 1382662795 /nfs/dbraw/zinc/66/27/95/1382662795.db2.gz YPJZVYWOEZGDDA-GOSISDBHSA-N 2 1 341.503 3.418 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001163333375 1383024392 /nfs/dbraw/zinc/02/43/92/1383024392.db2.gz RGJUFQBPQFJSAA-NJYVYQBISA-N 2 1 341.499 3.333 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164492241 1383192937 /nfs/dbraw/zinc/19/29/37/1383192937.db2.gz YOXYIMDMLQPZTR-MJGOQNOKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473230 1383299897 /nfs/dbraw/zinc/29/98/97/1383299897.db2.gz XXWOQKHBOZRDMP-SFHVURJKSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001167223877 1383569925 /nfs/dbraw/zinc/56/99/25/1383569925.db2.gz CRKMUMVPVBRWOK-GOSISDBHSA-N 2 1 337.552 3.317 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167835196 1383754103 /nfs/dbraw/zinc/75/41/03/1383754103.db2.gz GFFBWWXIQAYBQP-UHFFFAOYSA-N 2 1 325.541 3.175 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168344931 1383879024 /nfs/dbraw/zinc/87/90/24/1383879024.db2.gz GBIWVWWLOOCFBI-LJQANCHMSA-N 2 1 343.515 3.132 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001171182816 1384461924 /nfs/dbraw/zinc/46/19/24/1384461924.db2.gz YZQUTALOARRBQR-GOSISDBHSA-N 2 1 349.478 3.111 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001171247596 1384477728 /nfs/dbraw/zinc/47/77/28/1384477728.db2.gz MUKXMTRVBSENDA-MJGOQNOKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCOc1ccccc1[C@H](C)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001171374211 1384504757 /nfs/dbraw/zinc/50/47/57/1384504757.db2.gz XSKPYSJWFXICND-INIZCTEOSA-N 2 1 338.455 3.229 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128268 1384736566 /nfs/dbraw/zinc/73/65/66/1384736566.db2.gz QPOQCEVWXYXOTE-FUMNGEBKSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128268 1384736568 /nfs/dbraw/zinc/73/65/68/1384736568.db2.gz QPOQCEVWXYXOTE-FUMNGEBKSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001172128268 1384736572 /nfs/dbraw/zinc/73/65/72/1384736572.db2.gz QPOQCEVWXYXOTE-FUMNGEBKSA-N 2 1 339.483 3.417 20 30 EGEDMP C=CCOC1CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC001173310935 1384955978 /nfs/dbraw/zinc/95/59/78/1384955978.db2.gz AYOFGZFNMNYACH-UHFFFAOYSA-N 2 1 344.499 3.122 20 30 EGEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173594551 1384983421 /nfs/dbraw/zinc/98/34/21/1384983421.db2.gz AUJQRTILVHAFLK-WCHWRFHJSA-N 2 1 345.531 3.139 20 30 EGEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173594551 1384983423 /nfs/dbraw/zinc/98/34/23/1384983423.db2.gz AUJQRTILVHAFLK-WCHWRFHJSA-N 2 1 345.531 3.139 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001175739507 1385391805 /nfs/dbraw/zinc/39/18/05/1385391805.db2.gz PPRYAOVFFVAZSU-GOSISDBHSA-N 2 1 325.541 3.339 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178729373 1386291522 /nfs/dbraw/zinc/29/15/22/1386291522.db2.gz VSZWLVABNUUOGZ-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178815683 1386315793 /nfs/dbraw/zinc/31/57/93/1386315793.db2.gz JXDVLDSSMRXGPD-DLBZAZTESA-N 2 1 341.927 3.022 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180372909 1386778016 /nfs/dbraw/zinc/77/80/16/1386778016.db2.gz NFQXNUWIDULKII-MOPGFXCFSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001700094411 1413508840 /nfs/dbraw/zinc/50/88/40/1413508840.db2.gz JQMSOAYRNMOKRI-OAHLLOKOSA-N 2 1 349.906 3.190 20 30 EGEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001753293632 1440351165 /nfs/dbraw/zinc/35/11/65/1440351165.db2.gz OIHMPUAFCXUHJC-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001753293632 1440351166 /nfs/dbraw/zinc/35/11/66/1440351166.db2.gz OIHMPUAFCXUHJC-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001753293632 1440351167 /nfs/dbraw/zinc/35/11/67/1440351167.db2.gz OIHMPUAFCXUHJC-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001753365525 1440384995 /nfs/dbraw/zinc/38/49/95/1440384995.db2.gz YDTHIBHPXOOPNR-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001753365525 1440384996 /nfs/dbraw/zinc/38/49/96/1440384996.db2.gz YDTHIBHPXOOPNR-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001753365525 1440384997 /nfs/dbraw/zinc/38/49/97/1440384997.db2.gz YDTHIBHPXOOPNR-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001754540700 1440626157 /nfs/dbraw/zinc/62/61/57/1440626157.db2.gz BPRKWIOVZUSBEL-YQQQUEKLSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001754946576 1440713438 /nfs/dbraw/zinc/71/34/38/1440713438.db2.gz NOQAJCRXWZEZFT-GOSISDBHSA-N 2 1 343.515 3.185 20 30 EGEDMP C=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001754947576 1440713838 /nfs/dbraw/zinc/71/38/38/1440713838.db2.gz OOZNVUPQSHGKQS-QFBILLFUSA-N 2 1 329.488 3.014 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCCCC)CC1 ZINC001755129440 1440756886 /nfs/dbraw/zinc/75/68/86/1440756886.db2.gz MTBSPWYNAZRUIA-IBGZPJMESA-N 2 1 347.547 3.025 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCCCCC)CC1 ZINC001755129440 1440756887 /nfs/dbraw/zinc/75/68/87/1440756887.db2.gz MTBSPWYNAZRUIA-IBGZPJMESA-N 2 1 347.547 3.025 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001755204470 1440781702 /nfs/dbraw/zinc/78/17/02/1440781702.db2.gz KUCPGIZILAUUDJ-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001755204470 1440781703 /nfs/dbraw/zinc/78/17/03/1440781703.db2.gz KUCPGIZILAUUDJ-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001755204470 1440781704 /nfs/dbraw/zinc/78/17/04/1440781704.db2.gz KUCPGIZILAUUDJ-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001755851191 1440934999 /nfs/dbraw/zinc/93/49/99/1440934999.db2.gz VNKLJPGPYBPQCJ-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3)c2)CCO1 ZINC000071828160 203122193 /nfs/dbraw/zinc/12/21/93/203122193.db2.gz AYHMQROVLVLXLH-KRWDZBQOSA-N 2 1 335.451 3.069 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3)c2)CCO1 ZINC000071828160 203122196 /nfs/dbraw/zinc/12/21/96/203122196.db2.gz AYHMQROVLVLXLH-KRWDZBQOSA-N 2 1 335.451 3.069 20 30 EGEDMP C[N@H+](Cc1cccc(C#N)c1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354855985 166049414 /nfs/dbraw/zinc/04/94/14/166049414.db2.gz FTXHMXXDNBSSKA-UHFFFAOYSA-N 2 1 338.430 3.441 20 30 EGEDMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OCCCC#N ZINC000064614167 454493771 /nfs/dbraw/zinc/49/37/71/454493771.db2.gz UJPHTOMHOYNNRF-UHFFFAOYSA-N 2 1 342.443 3.063 20 30 EGEDMP C=CCc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(OC)c1O ZINC000092043267 454507528 /nfs/dbraw/zinc/50/75/28/454507528.db2.gz XEOAUNKEXNCPDH-MSOLQXFVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(OC)c1O ZINC000092043267 454507535 /nfs/dbraw/zinc/50/75/35/454507535.db2.gz XEOAUNKEXNCPDH-MSOLQXFVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(OC)c1O ZINC000092043267 454507541 /nfs/dbraw/zinc/50/75/41/454507541.db2.gz XEOAUNKEXNCPDH-MSOLQXFVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(OC)c1O ZINC000092043267 454507548 /nfs/dbraw/zinc/50/75/48/454507548.db2.gz XEOAUNKEXNCPDH-MSOLQXFVSA-N 2 1 330.472 3.045 20 30 EGEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000104172448 454576276 /nfs/dbraw/zinc/57/62/76/454576276.db2.gz DKPIWCHGVMKCGM-RYUDHWBXSA-N 2 1 343.302 3.301 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000123194549 454613364 /nfs/dbraw/zinc/61/33/64/454613364.db2.gz OUWVXJMMWLKSEI-IRXDYDNUSA-N 2 1 337.508 3.062 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000152012442 455061234 /nfs/dbraw/zinc/06/12/34/455061234.db2.gz XCEZEMIGKVXUJI-RXVVDRJESA-N 2 1 327.516 3.452 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156455820 455120099 /nfs/dbraw/zinc/12/00/99/455120099.db2.gz RLNARFSNNGMAPJ-QGZVFWFLSA-N 2 1 337.508 3.016 20 30 EGEDMP CCc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+](CC)CC)cc1 ZINC000292297371 455621531 /nfs/dbraw/zinc/62/15/31/455621531.db2.gz JZXQKRNDDYXPCF-SFHVURJKSA-N 2 1 339.487 3.454 20 30 EGEDMP CCN(CC)C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270546537 455979888 /nfs/dbraw/zinc/97/98/88/455979888.db2.gz DREGGIRKCYXMJD-CJNGLKHVSA-N 2 1 340.874 3.128 20 30 EGEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cc(F)ccc1F ZINC000262337315 456026358 /nfs/dbraw/zinc/02/63/58/456026358.db2.gz ZREJFLUPZIMHOU-HNNXBMFYSA-N 2 1 334.370 3.122 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)[C@H](C)C1 ZINC000353278537 456605261 /nfs/dbraw/zinc/60/52/61/456605261.db2.gz RAZFMDKDMFURPU-TYCQWZJGSA-N 2 1 341.499 3.272 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414775711 458325491 /nfs/dbraw/zinc/32/54/91/458325491.db2.gz GMQUGYJKCSRNAN-ROUUACIJSA-N 2 1 330.472 3.082 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593689 459957565 /nfs/dbraw/zinc/95/75/65/459957565.db2.gz VUVGBWNOCAUYJV-PKOBYXMFSA-N 2 1 335.536 3.264 20 30 EGEDMP C=CCc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(OC)c1O ZINC000663346560 461575791 /nfs/dbraw/zinc/57/57/91/461575791.db2.gz UUGHEIBZWUMKRY-QGZVFWFLSA-N 2 1 344.499 3.341 20 30 EGEDMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000191459430 528452494 /nfs/dbraw/zinc/45/24/94/528452494.db2.gz DJRKONMBCDSNLR-LJQANCHMSA-N 2 1 342.531 3.357 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000089631904 1292773295 /nfs/dbraw/zinc/77/32/95/1292773295.db2.gz NLWPISZNHDVSAF-CGTJXYLNSA-N 2 1 345.487 3.196 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000089631904 1292773297 /nfs/dbraw/zinc/77/32/97/1292773297.db2.gz NLWPISZNHDVSAF-CGTJXYLNSA-N 2 1 345.487 3.196 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000164398725 1294348148 /nfs/dbraw/zinc/34/81/48/1294348148.db2.gz WNDZQLSYVUSOGC-MRXNPFEDSA-N 2 1 330.472 3.047 20 30 EGEDMP C#CCOc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000236691790 1296197396 /nfs/dbraw/zinc/19/73/96/1296197396.db2.gz AAVNKHDHIXSITC-UHFFFAOYSA-N 2 1 334.463 3.237 20 30 EGEDMP C#CCOc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000236691790 1296197402 /nfs/dbraw/zinc/19/74/02/1296197402.db2.gz AAVNKHDHIXSITC-UHFFFAOYSA-N 2 1 334.463 3.237 20 30 EGEDMP C=C(Cl)CNC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)=[NH+]C ZINC000262378815 1296629584 /nfs/dbraw/zinc/62/95/84/1296629584.db2.gz JZSGZHHTVOYDJE-ZFWWWQNUSA-N 2 1 340.924 3.049 20 30 EGEDMP CCCNC(=[NH2+])NC[C@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000303883914 1296869586 /nfs/dbraw/zinc/86/95/86/1296869586.db2.gz MLEMZRHPPVMMGM-OAHLLOKOSA-N 2 1 344.425 3.403 20 30 EGEDMP CCc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000303904956 1296877504 /nfs/dbraw/zinc/87/75/04/1296877504.db2.gz VGLGDCKCDBRMFT-UHFFFAOYSA-N 2 1 334.427 3.065 20 30 EGEDMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000796946491 1310114464 /nfs/dbraw/zinc/11/44/64/1310114464.db2.gz FPCRXWRLGKAWSS-UHFFFAOYSA-N 2 1 334.467 3.486 20 30 EGEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957617172 1317498732 /nfs/dbraw/zinc/49/87/32/1317498732.db2.gz AWECUCNPMOIPKC-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP CC(C)[N@H+]1CC[C@H](C[NH+]=C(NCc2ccccc2)NC(C)(C)C)C1 ZINC000912499702 1318894664 /nfs/dbraw/zinc/89/46/64/1318894664.db2.gz YSOLYIMEBGWLSA-GOSISDBHSA-N 2 1 330.520 3.251 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000815652833 1319036584 /nfs/dbraw/zinc/03/65/84/1319036584.db2.gz WDLPPPVVYPUSMJ-QGZVFWFLSA-N 2 1 331.479 3.422 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000815652833 1319036594 /nfs/dbraw/zinc/03/65/94/1319036594.db2.gz WDLPPPVVYPUSMJ-QGZVFWFLSA-N 2 1 331.479 3.422 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000815652098 1319036895 /nfs/dbraw/zinc/03/68/95/1319036895.db2.gz PBZCUBSXPSNDHF-AWEZNQCLSA-N 2 1 328.378 3.233 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000815652098 1319036903 /nfs/dbraw/zinc/03/69/03/1319036903.db2.gz PBZCUBSXPSNDHF-AWEZNQCLSA-N 2 1 328.378 3.233 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025274987 1324094631 /nfs/dbraw/zinc/09/46/31/1324094631.db2.gz QOOIIPXYYUEZND-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300980 1324134170 /nfs/dbraw/zinc/13/41/70/1324134170.db2.gz GRHDATYHHXFLRB-PMACEKPBSA-N 2 1 347.547 3.284 20 30 EGEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853239396 1325069889 /nfs/dbraw/zinc/06/98/89/1325069889.db2.gz GPROBTPIMAITKM-IEBWSBKVSA-N 2 1 326.484 3.471 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439511 1333525666 /nfs/dbraw/zinc/52/56/66/1333525666.db2.gz QVCLABCGOZBGED-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439511 1333525669 /nfs/dbraw/zinc/52/56/69/1333525669.db2.gz QVCLABCGOZBGED-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439511 1333525673 /nfs/dbraw/zinc/52/56/73/1333525673.db2.gz QVCLABCGOZBGED-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948705505 1333641157 /nfs/dbraw/zinc/64/11/57/1333641157.db2.gz IBDWOIBELGQNMB-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000948705505 1333641159 /nfs/dbraw/zinc/64/11/59/1333641159.db2.gz IBDWOIBELGQNMB-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000948705505 1333641160 /nfs/dbraw/zinc/64/11/60/1333641160.db2.gz IBDWOIBELGQNMB-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726338 1333648744 /nfs/dbraw/zinc/64/87/44/1333648744.db2.gz OKVARIJACUZTCN-SFHVURJKSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829060 1333701281 /nfs/dbraw/zinc/70/12/81/1333701281.db2.gz CKZORKKYHCUYRP-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948852049 1333709581 /nfs/dbraw/zinc/70/95/81/1333709581.db2.gz HMWYOBPFGSODFT-FQEVSTJZSA-N 2 1 343.515 3.251 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950331493 1334043782 /nfs/dbraw/zinc/04/37/82/1334043782.db2.gz PTHVCBOWBXUBOY-GOSISDBHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968856710 1336069616 /nfs/dbraw/zinc/06/96/16/1336069616.db2.gz NCKRQWYMQDFNBW-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968856710 1336069619 /nfs/dbraw/zinc/06/96/19/1336069619.db2.gz NCKRQWYMQDFNBW-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968856710 1336069621 /nfs/dbraw/zinc/06/96/21/1336069621.db2.gz NCKRQWYMQDFNBW-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882496 1336079079 /nfs/dbraw/zinc/07/90/79/1336079079.db2.gz PBYJVZMLDWJPPA-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882496 1336079082 /nfs/dbraw/zinc/07/90/82/1336079082.db2.gz PBYJVZMLDWJPPA-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882496 1336079084 /nfs/dbraw/zinc/07/90/84/1336079084.db2.gz PBYJVZMLDWJPPA-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835600 1342035168 /nfs/dbraw/zinc/03/51/68/1342035168.db2.gz KCRFXQMMZPMIOZ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835600 1342035170 /nfs/dbraw/zinc/03/51/70/1342035170.db2.gz KCRFXQMMZPMIOZ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835600 1342035176 /nfs/dbraw/zinc/03/51/76/1342035176.db2.gz KCRFXQMMZPMIOZ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033988778 1342132859 /nfs/dbraw/zinc/13/28/59/1342132859.db2.gz ITWFUMIWYZGMMP-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193790 1343007744 /nfs/dbraw/zinc/00/77/44/1343007744.db2.gz OPGLVFUIUSOCEY-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193790 1343007748 /nfs/dbraw/zinc/00/77/48/1343007748.db2.gz OPGLVFUIUSOCEY-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193790 1343007751 /nfs/dbraw/zinc/00/77/51/1343007751.db2.gz OPGLVFUIUSOCEY-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233985 1343056311 /nfs/dbraw/zinc/05/63/11/1343056311.db2.gz RJFXEGHQCNXYIS-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233985 1343056315 /nfs/dbraw/zinc/05/63/15/1343056315.db2.gz RJFXEGHQCNXYIS-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233985 1343056320 /nfs/dbraw/zinc/05/63/20/1343056320.db2.gz RJFXEGHQCNXYIS-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233702 1343056650 /nfs/dbraw/zinc/05/66/50/1343056650.db2.gz KJIHNHFTHFQIRU-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233702 1343056653 /nfs/dbraw/zinc/05/66/53/1343056653.db2.gz KJIHNHFTHFQIRU-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233702 1343056658 /nfs/dbraw/zinc/05/66/58/1343056658.db2.gz KJIHNHFTHFQIRU-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474613 1345088892 /nfs/dbraw/zinc/08/88/92/1345088892.db2.gz QZIXJWBITKILOP-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241711 1345391578 /nfs/dbraw/zinc/39/15/78/1345391578.db2.gz RNHHXTCCHAQNGY-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241711 1345391580 /nfs/dbraw/zinc/39/15/80/1345391580.db2.gz RNHHXTCCHAQNGY-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241711 1345391584 /nfs/dbraw/zinc/39/15/84/1345391584.db2.gz RNHHXTCCHAQNGY-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241710 1345391593 /nfs/dbraw/zinc/39/15/93/1345391593.db2.gz RNHHXTCCHAQNGY-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241710 1345391596 /nfs/dbraw/zinc/39/15/96/1345391596.db2.gz RNHHXTCCHAQNGY-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241710 1345391599 /nfs/dbraw/zinc/39/15/99/1345391599.db2.gz RNHHXTCCHAQNGY-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943888 1346779477 /nfs/dbraw/zinc/77/94/77/1346779477.db2.gz QUFBIHQVOXUKEP-FQEVSTJZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001048558518 1347592983 /nfs/dbraw/zinc/59/29/83/1347592983.db2.gz XYKROIIGOPVOIE-YSTOQKLRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048558518 1347592984 /nfs/dbraw/zinc/59/29/84/1347592984.db2.gz XYKROIIGOPVOIE-YSTOQKLRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001048558518 1347592985 /nfs/dbraw/zinc/59/29/85/1347592985.db2.gz XYKROIIGOPVOIE-YSTOQKLRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001048578127 1347602548 /nfs/dbraw/zinc/60/25/48/1347602548.db2.gz LKTCYMKTLLSEBW-FNLKRUPLSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049523706 1347891464 /nfs/dbraw/zinc/89/14/64/1347891464.db2.gz GKLDYEHKNCBOAH-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049523706 1347891467 /nfs/dbraw/zinc/89/14/67/1347891467.db2.gz GKLDYEHKNCBOAH-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049523706 1347891468 /nfs/dbraw/zinc/89/14/68/1347891468.db2.gz GKLDYEHKNCBOAH-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049662334 1347962272 /nfs/dbraw/zinc/96/22/72/1347962272.db2.gz GRJMWFUZKMVIOR-XUVXKRRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049662334 1347962277 /nfs/dbraw/zinc/96/22/77/1347962277.db2.gz GRJMWFUZKMVIOR-XUVXKRRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049662334 1347962279 /nfs/dbraw/zinc/96/22/79/1347962279.db2.gz GRJMWFUZKMVIOR-XUVXKRRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381874 1348537556 /nfs/dbraw/zinc/53/75/56/1348537556.db2.gz ZRGCKFGBHIBBDN-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381874 1348537558 /nfs/dbraw/zinc/53/75/58/1348537558.db2.gz ZRGCKFGBHIBBDN-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381874 1348537560 /nfs/dbraw/zinc/53/75/60/1348537560.db2.gz ZRGCKFGBHIBBDN-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448333 1348544103 /nfs/dbraw/zinc/54/41/03/1348544103.db2.gz XRAJHNLSZPNWQY-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448333 1348544106 /nfs/dbraw/zinc/54/41/06/1348544106.db2.gz XRAJHNLSZPNWQY-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448333 1348544107 /nfs/dbraw/zinc/54/41/07/1348544107.db2.gz XRAJHNLSZPNWQY-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001099347740 1363764194 /nfs/dbraw/zinc/76/41/94/1363764194.db2.gz CEPKFUXKJDEQEA-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001099347740 1363764197 /nfs/dbraw/zinc/76/41/97/1363764197.db2.gz CEPKFUXKJDEQEA-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001099347740 1363764198 /nfs/dbraw/zinc/76/41/98/1363764198.db2.gz CEPKFUXKJDEQEA-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072558 1358383528 /nfs/dbraw/zinc/38/35/28/1358383528.db2.gz HAXYDYGIBSRNLG-AABGKKOBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072558 1358383529 /nfs/dbraw/zinc/38/35/29/1358383529.db2.gz HAXYDYGIBSRNLG-AABGKKOBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072558 1358383531 /nfs/dbraw/zinc/38/35/31/1358383531.db2.gz HAXYDYGIBSRNLG-AABGKKOBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085199527 1358432279 /nfs/dbraw/zinc/43/22/79/1358432279.db2.gz QGAGERPQMGZEJN-DFQSSKMNSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1CC ZINC001087845045 1359678476 /nfs/dbraw/zinc/67/84/76/1359678476.db2.gz CVSHQANWPQFOCL-ZWKOTPCHSA-N 2 1 347.503 3.280 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089509316 1360480921 /nfs/dbraw/zinc/48/09/21/1360480921.db2.gz ASOKMGRPTCFCHD-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509316 1360480922 /nfs/dbraw/zinc/48/09/22/1360480922.db2.gz ASOKMGRPTCFCHD-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509316 1360480925 /nfs/dbraw/zinc/48/09/25/1360480925.db2.gz ASOKMGRPTCFCHD-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089706356 1360609497 /nfs/dbraw/zinc/60/94/97/1360609497.db2.gz RIJPQESOEZYPEU-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089706356 1360609500 /nfs/dbraw/zinc/60/95/00/1360609500.db2.gz RIJPQESOEZYPEU-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089706356 1360609503 /nfs/dbraw/zinc/60/95/03/1360609503.db2.gz RIJPQESOEZYPEU-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094414221 1361791008 /nfs/dbraw/zinc/79/10/08/1361791008.db2.gz YAUCRGVNJYGFSI-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414221 1361791010 /nfs/dbraw/zinc/79/10/10/1361791010.db2.gz YAUCRGVNJYGFSI-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094414221 1361791015 /nfs/dbraw/zinc/79/10/15/1361791015.db2.gz YAUCRGVNJYGFSI-QKNQBKEWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585407 1361871171 /nfs/dbraw/zinc/87/11/71/1361871171.db2.gz VFXGDGOZVBRSLW-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585407 1361871174 /nfs/dbraw/zinc/87/11/74/1361871174.db2.gz VFXGDGOZVBRSLW-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585407 1361871175 /nfs/dbraw/zinc/87/11/75/1361871175.db2.gz VFXGDGOZVBRSLW-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094585408 1361871513 /nfs/dbraw/zinc/87/15/13/1361871513.db2.gz VFXGDGOZVBRSLW-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585408 1361871516 /nfs/dbraw/zinc/87/15/16/1361871516.db2.gz VFXGDGOZVBRSLW-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094585408 1361871520 /nfs/dbraw/zinc/87/15/20/1361871520.db2.gz VFXGDGOZVBRSLW-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1)C1CCCC1 ZINC001098822283 1363482591 /nfs/dbraw/zinc/48/25/91/1363482591.db2.gz YHZLJXLGUPULMG-AZUAARDMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310675 1363744303 /nfs/dbraw/zinc/74/43/03/1363744303.db2.gz SHRDHFWVDXQNAR-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099311289 1363744560 /nfs/dbraw/zinc/74/45/60/1363744560.db2.gz ZZKNTROAXREHSK-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321482 1363749465 /nfs/dbraw/zinc/74/94/65/1363749465.db2.gz XQEZFHFZDXWLPL-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321482 1363749471 /nfs/dbraw/zinc/74/94/71/1363749471.db2.gz XQEZFHFZDXWLPL-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321482 1363749473 /nfs/dbraw/zinc/74/94/73/1363749473.db2.gz XQEZFHFZDXWLPL-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001100383136 1364097589 /nfs/dbraw/zinc/09/75/89/1364097589.db2.gz NCBNUDSUCZHRCG-ACBHZAAOSA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001100764863 1364251757 /nfs/dbraw/zinc/25/17/57/1364251757.db2.gz JAOIBNWOWINULQ-VIQWUECVSA-N 2 1 337.552 3.338 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101542569 1364608130 /nfs/dbraw/zinc/60/81/30/1364608130.db2.gz BGFOYEWOBDDZOK-IEBWSBKVSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001101597665 1364648131 /nfs/dbraw/zinc/64/81/31/1364648131.db2.gz VZFJOSSHMFDFFB-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102189977 1364923796 /nfs/dbraw/zinc/92/37/96/1364923796.db2.gz LWVOKNYXBFSWFH-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103156395 1365413615 /nfs/dbraw/zinc/41/36/15/1365413615.db2.gz BBMHMQPUOVMQLZ-KZNAEPCWSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156395 1365413616 /nfs/dbraw/zinc/41/36/16/1365413616.db2.gz BBMHMQPUOVMQLZ-KZNAEPCWSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156395 1365413617 /nfs/dbraw/zinc/41/36/17/1365413617.db2.gz BBMHMQPUOVMQLZ-KZNAEPCWSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438319 1365561420 /nfs/dbraw/zinc/56/14/20/1365561420.db2.gz BATRBYZJEODLAR-GUDVDZBRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438319 1365561425 /nfs/dbraw/zinc/56/14/25/1365561425.db2.gz BATRBYZJEODLAR-GUDVDZBRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438319 1365561426 /nfs/dbraw/zinc/56/14/26/1365561426.db2.gz BATRBYZJEODLAR-GUDVDZBRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001103750549 1365763997 /nfs/dbraw/zinc/76/39/97/1365763997.db2.gz AWGMMTOSOAJWKW-YLJYHZDGSA-N 2 1 343.515 3.012 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213826 1365954374 /nfs/dbraw/zinc/95/43/74/1365954374.db2.gz SJMMMCVSRAQHPC-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185681226 1387776293 /nfs/dbraw/zinc/77/62/93/1387776293.db2.gz KCQXALRCBWQHTC-HKUYNNGSSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105574779 1366539423 /nfs/dbraw/zinc/53/94/23/1366539423.db2.gz HKVQPGMBXLYJEG-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001106927503 1366836314 /nfs/dbraw/zinc/83/63/14/1366836314.db2.gz SBNLMJILSCBURI-SBHAEUEKSA-N 2 1 349.563 3.127 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107481625 1366984209 /nfs/dbraw/zinc/98/42/09/1366984209.db2.gz BFYDJHXCVBQFFL-TZIWHRDSSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107481625 1366984214 /nfs/dbraw/zinc/98/42/14/1366984214.db2.gz BFYDJHXCVBQFFL-TZIWHRDSSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001107481625 1366984221 /nfs/dbraw/zinc/98/42/21/1366984221.db2.gz BFYDJHXCVBQFFL-TZIWHRDSSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635201 1367086049 /nfs/dbraw/zinc/08/60/49/1367086049.db2.gz JJPKQXMQEYJOBB-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406210 1367107415 /nfs/dbraw/zinc/10/74/15/1367107415.db2.gz RNTUOKDTKQBXDM-XWSJACJDSA-N 2 1 335.536 3.019 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669259 1367273655 /nfs/dbraw/zinc/27/36/55/1367273655.db2.gz VDUNPKJPFVPVCU-QYZOEREBSA-N 2 1 335.536 3.020 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190657090 1367319779 /nfs/dbraw/zinc/31/97/79/1367319779.db2.gz ZACXSBPRPNKXOG-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190657090 1367319785 /nfs/dbraw/zinc/31/97/85/1367319785.db2.gz ZACXSBPRPNKXOG-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190657090 1367319790 /nfs/dbraw/zinc/31/97/90/1367319790.db2.gz ZACXSBPRPNKXOG-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109798713 1367329062 /nfs/dbraw/zinc/32/90/62/1367329062.db2.gz OSLJZXGLXXERQV-AABGKKOBSA-N 2 1 347.547 3.186 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191162964 1367436667 /nfs/dbraw/zinc/43/66/67/1367436667.db2.gz RXBYPHGUDHMENU-SFHVURJKSA-N 2 1 342.487 3.451 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684690 1367560219 /nfs/dbraw/zinc/56/02/19/1367560219.db2.gz ULJDRHBRUQLEMV-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192847959 1367887309 /nfs/dbraw/zinc/88/73/09/1367887309.db2.gz UUPIDWOQLQZMNM-YLJYHZDGSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194266769 1368219962 /nfs/dbraw/zinc/21/99/62/1368219962.db2.gz ZYAXHTBLCVDVLD-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266769 1368219965 /nfs/dbraw/zinc/21/99/65/1368219965.db2.gz ZYAXHTBLCVDVLD-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266769 1368219969 /nfs/dbraw/zinc/21/99/69/1368219969.db2.gz ZYAXHTBLCVDVLD-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001196282493 1368583067 /nfs/dbraw/zinc/58/30/67/1368583067.db2.gz SYGVRWPATMOYLO-UHFFFAOYSA-N 2 1 349.563 3.367 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655938 1368657589 /nfs/dbraw/zinc/65/75/89/1368657589.db2.gz LRRCZZHTLWGBJR-SFHVURJKSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001196890585 1368708346 /nfs/dbraw/zinc/70/83/46/1368708346.db2.gz RBTPFPIHNHQLFI-HXUWFJFHSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890585 1368708349 /nfs/dbraw/zinc/70/83/49/1368708349.db2.gz RBTPFPIHNHQLFI-HXUWFJFHSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001196890585 1368708353 /nfs/dbraw/zinc/70/83/53/1368708353.db2.gz RBTPFPIHNHQLFI-HXUWFJFHSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448299 1368816913 /nfs/dbraw/zinc/81/69/13/1368816913.db2.gz UUXWNJSENAKQSY-SFHVURJKSA-N 2 1 343.515 3.251 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001197546049 1368837335 /nfs/dbraw/zinc/83/73/35/1368837335.db2.gz UOLBTQGCOWYROP-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001186604695 1387983906 /nfs/dbraw/zinc/98/39/06/1387983906.db2.gz GTQNMZRSSXKTJY-LJQANCHMSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186604695 1387983909 /nfs/dbraw/zinc/98/39/09/1387983909.db2.gz GTQNMZRSSXKTJY-LJQANCHMSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186604695 1387983912 /nfs/dbraw/zinc/98/39/12/1387983912.db2.gz GTQNMZRSSXKTJY-LJQANCHMSA-N 2 1 349.563 3.243 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577828 1369393259 /nfs/dbraw/zinc/39/32/59/1369393259.db2.gz IDPZHGMNGJOHGD-QUCCMNQESA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001201776851 1369622771 /nfs/dbraw/zinc/62/27/71/1369622771.db2.gz OBUATGRAKCCYEH-UHFFFAOYSA-N 2 1 346.519 3.015 20 30 EGEDMP CCCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001201776851 1369622779 /nfs/dbraw/zinc/62/27/79/1369622779.db2.gz OBUATGRAKCCYEH-UHFFFAOYSA-N 2 1 346.519 3.015 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202145079 1369701237 /nfs/dbraw/zinc/70/12/37/1369701237.db2.gz RGAUCWLYLMTHQQ-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001202756538 1369880529 /nfs/dbraw/zinc/88/05/29/1369880529.db2.gz BNHCNVYXPFEWCA-QGZVFWFLSA-N 2 1 346.519 3.332 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312952 1370078258 /nfs/dbraw/zinc/07/82/58/1370078258.db2.gz LWGZFFPATBIMMS-FQEVSTJZSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544912 1370541838 /nfs/dbraw/zinc/54/18/38/1370541838.db2.gz HRLLUZGUOXCXIX-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573192 1370575834 /nfs/dbraw/zinc/57/58/34/1370575834.db2.gz MGAWHOBLVBZHRO-LJQANCHMSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115687951 1370670888 /nfs/dbraw/zinc/67/08/88/1370670888.db2.gz CNQVVZYKTIMJEY-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115689802 1370671855 /nfs/dbraw/zinc/67/18/55/1370671855.db2.gz TUCWUWKVTCRJLL-LJQANCHMSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594401 1370804667 /nfs/dbraw/zinc/80/46/67/1370804667.db2.gz RJXCFQXGFMMVOP-ICSRJNTNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594405 1370804957 /nfs/dbraw/zinc/80/49/57/1370804957.db2.gz RJXCFQXGFMMVOP-UYAOXDASSA-N 2 1 349.563 3.290 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@H]1C[NH3+] ZINC001206003104 1370934848 /nfs/dbraw/zinc/93/48/48/1370934848.db2.gz DSSWLSNVDVJNOI-STQMWFEESA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1(C[NH+](C)C)CCCC1)CC2 ZINC001208186300 1371627186 /nfs/dbraw/zinc/62/71/86/1371627186.db2.gz HQQHEZZCXVORCV-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208279235 1371695564 /nfs/dbraw/zinc/69/55/64/1371695564.db2.gz LETNFKRTEJJJMU-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208330716 1371720349 /nfs/dbraw/zinc/72/03/49/1371720349.db2.gz CZLXIMOLSUHFOP-VQTJNVASSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208335665 1371723076 /nfs/dbraw/zinc/72/30/76/1371723076.db2.gz XVSRJZSETYKSMK-QZTJIDSGSA-N 2 1 346.519 3.312 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396246 1371752741 /nfs/dbraw/zinc/75/27/41/1371752741.db2.gz PJUSVGDGHFQJIF-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208396246 1371752746 /nfs/dbraw/zinc/75/27/46/1371752746.db2.gz PJUSVGDGHFQJIF-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208396246 1371752747 /nfs/dbraw/zinc/75/27/47/1371752747.db2.gz PJUSVGDGHFQJIF-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208757475 1371885361 /nfs/dbraw/zinc/88/53/61/1371885361.db2.gz DXCIGYVICLENKK-GOSISDBHSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209142598 1372012944 /nfs/dbraw/zinc/01/29/44/1372012944.db2.gz SDXFLLKWQFWWGT-AQNXPRMDSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142598 1372012947 /nfs/dbraw/zinc/01/29/47/1372012947.db2.gz SDXFLLKWQFWWGT-AQNXPRMDSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001209142598 1372012953 /nfs/dbraw/zinc/01/29/53/1372012953.db2.gz SDXFLLKWQFWWGT-AQNXPRMDSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001209203671 1372036900 /nfs/dbraw/zinc/03/69/00/1372036900.db2.gz SJWUNLDJXIRQQT-AABGKKOBSA-N 2 1 330.520 3.413 20 30 EGEDMP C=CCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001209203671 1372036905 /nfs/dbraw/zinc/03/69/05/1372036905.db2.gz SJWUNLDJXIRQQT-AABGKKOBSA-N 2 1 330.520 3.413 20 30 EGEDMP C=CCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001209203671 1372036909 /nfs/dbraw/zinc/03/69/09/1372036909.db2.gz SJWUNLDJXIRQQT-AABGKKOBSA-N 2 1 330.520 3.413 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930766 1372233979 /nfs/dbraw/zinc/23/39/79/1372233979.db2.gz GGUSSYGBQVEYQD-MSOLQXFVSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215019677 1373157441 /nfs/dbraw/zinc/15/74/41/1373157441.db2.gz CBSDANQRTOADND-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@@H]1C ZINC001132090010 1375139974 /nfs/dbraw/zinc/13/99/74/1375139974.db2.gz BYTNMHJFGANCJK-FUHWJXTLSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132090010 1375139981 /nfs/dbraw/zinc/13/99/81/1375139981.db2.gz BYTNMHJFGANCJK-FUHWJXTLSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@@H]1C ZINC001132090010 1375139986 /nfs/dbraw/zinc/13/99/86/1375139986.db2.gz BYTNMHJFGANCJK-FUHWJXTLSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591926 1376090461 /nfs/dbraw/zinc/09/04/61/1376090461.db2.gz MQQJWXBJUFWKST-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598405 1376093395 /nfs/dbraw/zinc/09/33/95/1376093395.db2.gz NOFHZHOAVQVHIP-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323681 1376809525 /nfs/dbraw/zinc/80/95/25/1376809525.db2.gz SCTAPCCNEUEXSS-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323681 1376809530 /nfs/dbraw/zinc/80/95/30/1376809530.db2.gz SCTAPCCNEUEXSS-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323681 1376809534 /nfs/dbraw/zinc/80/95/34/1376809534.db2.gz SCTAPCCNEUEXSS-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235969981 1376924025 /nfs/dbraw/zinc/92/40/25/1376924025.db2.gz XDWHPNSGQAXMPX-OAQYLSRUSA-N 2 1 347.462 3.247 20 30 EGEDMP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135996847 1377292713 /nfs/dbraw/zinc/29/27/13/1377292713.db2.gz WNNPWPQNPJHLER-QZTJIDSGSA-N 2 1 325.541 3.338 20 30 EGEDMP C[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)CC1CC[NH+](C)CC1 ZINC001139407266 1377879803 /nfs/dbraw/zinc/87/98/03/1377879803.db2.gz VRHPTALQFDTFHP-UHFFFAOYSA-N 2 1 334.467 3.394 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001140547559 1378083175 /nfs/dbraw/zinc/08/31/75/1378083175.db2.gz UDBMPKQHNNWXRJ-SFTDATJTSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001140547559 1378083177 /nfs/dbraw/zinc/08/31/77/1378083177.db2.gz UDBMPKQHNNWXRJ-SFTDATJTSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cn1 ZINC001140547559 1378083178 /nfs/dbraw/zinc/08/31/78/1378083178.db2.gz UDBMPKQHNNWXRJ-SFTDATJTSA-N 2 1 346.478 3.297 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153818948 1380136096 /nfs/dbraw/zinc/13/60/96/1380136096.db2.gz HCNKWFNOCAQFMJ-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818948 1380136097 /nfs/dbraw/zinc/13/60/97/1380136097.db2.gz HCNKWFNOCAQFMJ-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153818948 1380136098 /nfs/dbraw/zinc/13/60/98/1380136098.db2.gz HCNKWFNOCAQFMJ-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819348 1380136993 /nfs/dbraw/zinc/13/69/93/1380136993.db2.gz XKYNJTCRAOWZPS-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819348 1380136995 /nfs/dbraw/zinc/13/69/95/1380136995.db2.gz XKYNJTCRAOWZPS-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153819348 1380136996 /nfs/dbraw/zinc/13/69/96/1380136996.db2.gz XKYNJTCRAOWZPS-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099147 1380207874 /nfs/dbraw/zinc/20/78/74/1380207874.db2.gz CCGMUYHRDPWYTL-QGZVFWFLSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099147 1380207877 /nfs/dbraw/zinc/20/78/77/1380207877.db2.gz CCGMUYHRDPWYTL-QGZVFWFLSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099147 1380207878 /nfs/dbraw/zinc/20/78/78/1380207878.db2.gz CCGMUYHRDPWYTL-QGZVFWFLSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001156663657 1380606834 /nfs/dbraw/zinc/60/68/34/1380606834.db2.gz BIBJLJNXRBGJFT-QUCCMNQESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001156663657 1380606836 /nfs/dbraw/zinc/60/68/36/1380606836.db2.gz BIBJLJNXRBGJFT-QUCCMNQESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001156663657 1380606840 /nfs/dbraw/zinc/60/68/40/1380606840.db2.gz BIBJLJNXRBGJFT-QUCCMNQESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158228129 1381166886 /nfs/dbraw/zinc/16/68/86/1381166886.db2.gz UPECITPATFNJPG-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158228129 1381166891 /nfs/dbraw/zinc/16/68/91/1381166891.db2.gz UPECITPATFNJPG-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001160779216 1382193541 /nfs/dbraw/zinc/19/35/41/1382193541.db2.gz TXFIQIHYEXVRCN-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160779216 1382193542 /nfs/dbraw/zinc/19/35/42/1382193542.db2.gz TXFIQIHYEXVRCN-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001160779216 1382193543 /nfs/dbraw/zinc/19/35/43/1382193543.db2.gz TXFIQIHYEXVRCN-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161953349 1382568975 /nfs/dbraw/zinc/56/89/75/1382568975.db2.gz SVRFEVVJRWVTBA-UHFFFAOYSA-N 2 1 337.552 3.435 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161953349 1382568977 /nfs/dbraw/zinc/56/89/77/1382568977.db2.gz SVRFEVVJRWVTBA-UHFFFAOYSA-N 2 1 337.552 3.435 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161953349 1382568985 /nfs/dbraw/zinc/56/89/85/1382568985.db2.gz SVRFEVVJRWVTBA-UHFFFAOYSA-N 2 1 337.552 3.435 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802812 1383479933 /nfs/dbraw/zinc/47/99/33/1383479933.db2.gz KVMJKJCZHWGTSX-IBGZPJMESA-N 2 1 347.547 3.236 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCCNc1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001167754372 1383731388 /nfs/dbraw/zinc/73/13/88/1383731388.db2.gz XBKOSEBHVRORKN-QFNCUCFLSA-N 2 1 327.476 3.456 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153889 1384116382 /nfs/dbraw/zinc/11/63/82/1384116382.db2.gz LVBCHAUDZBEYOE-AJYBTWMASA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153889 1384116384 /nfs/dbraw/zinc/11/63/84/1384116384.db2.gz LVBCHAUDZBEYOE-AJYBTWMASA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153889 1384116386 /nfs/dbraw/zinc/11/63/86/1384116386.db2.gz LVBCHAUDZBEYOE-AJYBTWMASA-N 2 1 325.456 3.027 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001171181927 1384462244 /nfs/dbraw/zinc/46/22/44/1384462244.db2.gz RCUWLFPJPOLVBV-GOSISDBHSA-N 2 1 349.478 3.111 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171245707 1384476944 /nfs/dbraw/zinc/47/69/44/1384476944.db2.gz BDUVYOKYTJYSBE-RBUKOAKNSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC(=[NH2+])c2ccc(C(N)=O)cc2)cc1 ZINC001171261051 1384481710 /nfs/dbraw/zinc/48/17/10/1384481710.db2.gz QESBLPVKKRHWFT-LJQANCHMSA-N 2 1 348.450 3.145 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCCC ZINC001171308869 1384491215 /nfs/dbraw/zinc/49/12/15/1384491215.db2.gz YJJGFRZOEUFEMJ-PMACEKPBSA-N 2 1 349.563 3.319 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCCCCC ZINC001171308869 1384491217 /nfs/dbraw/zinc/49/12/17/1384491217.db2.gz YJJGFRZOEUFEMJ-PMACEKPBSA-N 2 1 349.563 3.319 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171647185 1384591629 /nfs/dbraw/zinc/59/16/29/1384591629.db2.gz TVSNJHCPHOXQTK-MOPGFXCFSA-N 2 1 337.552 3.338 20 30 EGEDMP N#Cc1cccc(C[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001172236308 1384753636 /nfs/dbraw/zinc/75/36/36/1384753636.db2.gz QUOZTMOCKKYJJA-YRMMNHGISA-N 2 1 337.467 3.116 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001172319585 1384769054 /nfs/dbraw/zinc/76/90/54/1384769054.db2.gz PBMGLCUOLLSKAB-QGZVFWFLSA-N 2 1 341.499 3.064 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001172319585 1384769057 /nfs/dbraw/zinc/76/90/57/1384769057.db2.gz PBMGLCUOLLSKAB-QGZVFWFLSA-N 2 1 341.499 3.064 20 30 EGEDMP C[C@@H](CCCC#N)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172495351 1384804147 /nfs/dbraw/zinc/80/41/47/1384804147.db2.gz PJIQMJWWRLSIRW-ROUUACIJSA-N 2 1 345.487 3.417 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262178 1385232316 /nfs/dbraw/zinc/23/23/16/1385232316.db2.gz CPZZEKCYBJOURK-LPHOPBHVSA-N 2 1 341.515 3.040 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001175740704 1385391647 /nfs/dbraw/zinc/39/16/47/1385391647.db2.gz UKGQZZNVWJLRHK-GOSISDBHSA-N 2 1 325.541 3.339 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001177335659 1385918179 /nfs/dbraw/zinc/91/81/79/1385918179.db2.gz JDVBSHHEXWYBAQ-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177415861 1385948919 /nfs/dbraw/zinc/94/89/19/1385948919.db2.gz MJZFOFDVNBJCHQ-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177456031 1385962753 /nfs/dbraw/zinc/96/27/53/1385962753.db2.gz NAZIDDZGVCKNNV-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707291 1386285082 /nfs/dbraw/zinc/28/50/82/1386285082.db2.gz DNIAEDFTWWDWBL-NSHGMRRFSA-N 2 1 347.547 3.186 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCCC ZINC001178722189 1386290384 /nfs/dbraw/zinc/29/03/84/1386290384.db2.gz DAVQANAHGRSZLZ-FQEVSTJZSA-N 2 1 349.563 3.321 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCCCCC ZINC001178722189 1386290389 /nfs/dbraw/zinc/29/03/89/1386290389.db2.gz DAVQANAHGRSZLZ-FQEVSTJZSA-N 2 1 349.563 3.321 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001180372912 1386778077 /nfs/dbraw/zinc/77/80/77/1386778077.db2.gz NFQXNUWIDULKII-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182124857 1387108144 /nfs/dbraw/zinc/10/81/44/1387108144.db2.gz FHKMTQCNTCMRGC-YLJYHZDGSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182814293 1387229238 /nfs/dbraw/zinc/22/92/38/1387229238.db2.gz UHBCOKLPUYTHGS-SFHLNBCPSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001182917656 1387246007 /nfs/dbraw/zinc/24/60/07/1387246007.db2.gz WEGBBBKCVHTKSE-UYAOXDASSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480320438 1392680644 /nfs/dbraw/zinc/68/06/44/1392680644.db2.gz VEQYXYXLSXDNKQ-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480320438 1392680645 /nfs/dbraw/zinc/68/06/45/1392680645.db2.gz VEQYXYXLSXDNKQ-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480320438 1392680647 /nfs/dbraw/zinc/68/06/47/1392680647.db2.gz VEQYXYXLSXDNKQ-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480320438 1392680651 /nfs/dbraw/zinc/68/06/51/1392680651.db2.gz VEQYXYXLSXDNKQ-MOPGFXCFSA-N 2 1 337.552 3.412 20 30 EGEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001751974835 1440130025 /nfs/dbraw/zinc/13/00/25/1440130025.db2.gz HFFDOABRAUYTNQ-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001751974835 1440130027 /nfs/dbraw/zinc/13/00/27/1440130027.db2.gz HFFDOABRAUYTNQ-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001751974835 1440130028 /nfs/dbraw/zinc/13/00/28/1440130028.db2.gz HFFDOABRAUYTNQ-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001752538178 1440194445 /nfs/dbraw/zinc/19/44/45/1440194445.db2.gz FDURBYGZNITUGB-VNTMZGSJSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001752538178 1440194446 /nfs/dbraw/zinc/19/44/46/1440194446.db2.gz FDURBYGZNITUGB-VNTMZGSJSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001752538178 1440194447 /nfs/dbraw/zinc/19/44/47/1440194447.db2.gz FDURBYGZNITUGB-VNTMZGSJSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001752995666 1440261778 /nfs/dbraw/zinc/26/17/78/1440261778.db2.gz ZDMQSMLCOLWWHZ-SLFFLAALSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995666 1440261779 /nfs/dbraw/zinc/26/17/79/1440261779.db2.gz ZDMQSMLCOLWWHZ-SLFFLAALSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001752995666 1440261780 /nfs/dbraw/zinc/26/17/80/1440261780.db2.gz ZDMQSMLCOLWWHZ-SLFFLAALSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001754568629 1440636686 /nfs/dbraw/zinc/63/66/86/1440636686.db2.gz GFHFDXRFSOBSHV-FQEVSTJZSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001754568629 1440636687 /nfs/dbraw/zinc/63/66/87/1440636687.db2.gz GFHFDXRFSOBSHV-FQEVSTJZSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001754568629 1440636688 /nfs/dbraw/zinc/63/66/88/1440636688.db2.gz GFHFDXRFSOBSHV-FQEVSTJZSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001754651552 1440652040 /nfs/dbraw/zinc/65/20/40/1440652040.db2.gz VAYXSDUGCRJORO-WOJBJXKFSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754702954 1440668330 /nfs/dbraw/zinc/66/83/30/1440668330.db2.gz YWESWRAMNJDMKM-NRFANRHFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001754831855 1440695723 /nfs/dbraw/zinc/69/57/23/1440695723.db2.gz RIVPKQFUJKLSIN-REPLKXPHSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001754868229 1440703893 /nfs/dbraw/zinc/70/38/93/1440703893.db2.gz NWBZWUDXHBVEMR-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC001754947360 1440713651 /nfs/dbraw/zinc/71/36/51/1440713651.db2.gz KJEOJSFUSTWGAR-QFBILLFUSA-N 2 1 329.488 3.014 20 30 EGEDMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001755079207 1440750319 /nfs/dbraw/zinc/75/03/19/1440750319.db2.gz YWBLIZNZOZEPHV-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001755079207 1440750320 /nfs/dbraw/zinc/75/03/20/1440750320.db2.gz YWBLIZNZOZEPHV-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001755079207 1440750321 /nfs/dbraw/zinc/75/03/21/1440750321.db2.gz YWBLIZNZOZEPHV-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001755131543 1440757263 /nfs/dbraw/zinc/75/72/63/1440757263.db2.gz MENZTWKJZKKNEG-LJQANCHMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001755184244 1440772419 /nfs/dbraw/zinc/77/24/19/1440772419.db2.gz QSHLKDUQPOLIBT-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001755184244 1440772420 /nfs/dbraw/zinc/77/24/20/1440772420.db2.gz QSHLKDUQPOLIBT-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001755184244 1440772421 /nfs/dbraw/zinc/77/24/21/1440772421.db2.gz QSHLKDUQPOLIBT-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001755202078 1440780401 /nfs/dbraw/zinc/78/04/01/1440780401.db2.gz ZAXUKUPOMVHSIY-CTNGQTDRSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001755202078 1440780402 /nfs/dbraw/zinc/78/04/02/1440780402.db2.gz ZAXUKUPOMVHSIY-CTNGQTDRSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001755202078 1440780403 /nfs/dbraw/zinc/78/04/03/1440780403.db2.gz ZAXUKUPOMVHSIY-CTNGQTDRSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001755414491 1440847776 /nfs/dbraw/zinc/84/77/76/1440847776.db2.gz XDQQNKBQKPVRJX-SFHVURJKSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001755896457 1440942854 /nfs/dbraw/zinc/94/28/54/1440942854.db2.gz RYKTWMCLQZDFLJ-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755896457 1440942855 /nfs/dbraw/zinc/94/28/55/1440942855.db2.gz RYKTWMCLQZDFLJ-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001755896457 1440942856 /nfs/dbraw/zinc/94/28/56/1440942856.db2.gz RYKTWMCLQZDFLJ-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000183103417 455229831 /nfs/dbraw/zinc/22/98/31/455229831.db2.gz RATKNHBGDYDZCV-WBVHZDCISA-N 2 1 327.472 3.309 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000623530414 460598466 /nfs/dbraw/zinc/59/84/66/460598466.db2.gz XTBWHLMQKBHGEA-CYBMUJFWSA-N 2 1 326.868 3.201 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000623530415 460598482 /nfs/dbraw/zinc/59/84/82/460598482.db2.gz XTBWHLMQKBHGEA-ZDUSSCGKSA-N 2 1 326.868 3.201 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000122085728 454507801 /nfs/dbraw/zinc/50/78/01/454507801.db2.gz ZKDDIELIAYIYHL-UHFFFAOYSA-N 2 1 346.490 3.248 20 30 EGEDMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC(C#N)(c3ccccc3)C2)C[C@H](C)O1 ZINC000126337431 454886909 /nfs/dbraw/zinc/88/69/09/454886909.db2.gz VZNFUOJMUICYIX-FWGXRIOKSA-N 2 1 341.499 3.089 20 30 EGEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc(OC)cc2)c1 ZINC000264073546 455189460 /nfs/dbraw/zinc/18/94/60/455189460.db2.gz DVMDMRGZWHKDPL-UHFFFAOYSA-N 2 1 326.444 3.074 20 30 EGEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264937925 455298013 /nfs/dbraw/zinc/29/80/13/455298013.db2.gz DWHLJPXQCIQWOY-UHFFFAOYSA-N 2 1 339.487 3.284 20 30 EGEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000264937925 455298017 /nfs/dbraw/zinc/29/80/17/455298017.db2.gz DWHLJPXQCIQWOY-UHFFFAOYSA-N 2 1 339.487 3.284 20 30 EGEDMP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000267442317 455550993 /nfs/dbraw/zinc/55/09/93/455550993.db2.gz PKHMRDGWQZNMJN-HNNXBMFYSA-N 2 1 328.460 3.114 20 30 EGEDMP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000267442317 455550996 /nfs/dbraw/zinc/55/09/96/455550996.db2.gz PKHMRDGWQZNMJN-HNNXBMFYSA-N 2 1 328.460 3.114 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000293963188 455802055 /nfs/dbraw/zinc/80/20/55/455802055.db2.gz ACUKMDOFRUSOLK-AWEZNQCLSA-N 2 1 328.485 3.119 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000293963188 455802059 /nfs/dbraw/zinc/80/20/59/455802059.db2.gz ACUKMDOFRUSOLK-AWEZNQCLSA-N 2 1 328.485 3.119 20 30 EGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000286003579 455958499 /nfs/dbraw/zinc/95/84/99/455958499.db2.gz IUADDIDSYIGMOT-IBGZPJMESA-N 2 1 340.515 3.237 20 30 EGEDMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000289777219 456142400 /nfs/dbraw/zinc/14/24/00/456142400.db2.gz KFSVDUYCSUTWJT-IBGZPJMESA-N 2 1 336.483 3.289 20 30 EGEDMP C=CCC[C@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000340505214 456498413 /nfs/dbraw/zinc/49/84/13/456498413.db2.gz NJZTWLADWZCFRX-PMACEKPBSA-N 2 1 340.467 3.296 20 30 EGEDMP C=CCC[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccco1 ZINC000340505214 456498419 /nfs/dbraw/zinc/49/84/19/456498419.db2.gz NJZTWLADWZCFRX-PMACEKPBSA-N 2 1 340.467 3.296 20 30 EGEDMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000282518481 456539478 /nfs/dbraw/zinc/53/94/78/456539478.db2.gz ZLITXYRXSZLPOF-IEBWSBKVSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1C#N ZINC000282518481 456539482 /nfs/dbraw/zinc/53/94/82/456539482.db2.gz ZLITXYRXSZLPOF-IEBWSBKVSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1C#N ZINC000282518481 456539486 /nfs/dbraw/zinc/53/94/86/456539486.db2.gz ZLITXYRXSZLPOF-IEBWSBKVSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1C#N ZINC000282518481 456539489 /nfs/dbraw/zinc/53/94/89/456539489.db2.gz ZLITXYRXSZLPOF-IEBWSBKVSA-N 2 1 325.456 3.016 20 30 EGEDMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353488610 456708427 /nfs/dbraw/zinc/70/84/27/456708427.db2.gz OIMIMJUPSFCZGE-SFHVURJKSA-N 2 1 342.531 3.233 20 30 EGEDMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc(OC)c1O ZINC000353754843 456892531 /nfs/dbraw/zinc/89/25/31/456892531.db2.gz QPAPWKFPGFGTOF-QAPCUYQASA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc(OC)c1O ZINC000353754843 456892533 /nfs/dbraw/zinc/89/25/33/456892533.db2.gz QPAPWKFPGFGTOF-QAPCUYQASA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc(OC)c1O ZINC000353754843 456892535 /nfs/dbraw/zinc/89/25/35/456892535.db2.gz QPAPWKFPGFGTOF-QAPCUYQASA-N 2 1 332.488 3.434 20 30 EGEDMP C=CCc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc(OC)c1O ZINC000353754843 456892536 /nfs/dbraw/zinc/89/25/36/456892536.db2.gz QPAPWKFPGFGTOF-QAPCUYQASA-N 2 1 332.488 3.434 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)C2 ZINC000329812427 456945242 /nfs/dbraw/zinc/94/52/42/456945242.db2.gz DCZUPRJIYYEXEY-MRXNPFEDSA-N 2 1 332.492 3.365 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000414275946 458317100 /nfs/dbraw/zinc/31/71/00/458317100.db2.gz XHPLOKXZWOXNCV-DOIPELPJSA-N 2 1 341.499 3.195 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000414275946 458317104 /nfs/dbraw/zinc/31/71/04/458317104.db2.gz XHPLOKXZWOXNCV-DOIPELPJSA-N 2 1 341.499 3.195 20 30 EGEDMP C=CCCCC[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000449081027 458419771 /nfs/dbraw/zinc/41/97/71/458419771.db2.gz BBRJNOMKZNPLME-GOSISDBHSA-N 2 1 343.515 3.299 20 30 EGEDMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2C1 ZINC000424163964 458574764 /nfs/dbraw/zinc/57/47/64/458574764.db2.gz YKCXHHGMAWAMCL-QGZVFWFLSA-N 2 1 328.460 3.008 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc(OC)c1O ZINC000424371290 458628270 /nfs/dbraw/zinc/62/82/70/458628270.db2.gz DLIGFOKEYUOMRT-OAHLLOKOSA-N 2 1 330.472 3.093 20 30 EGEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110047 460244165 /nfs/dbraw/zinc/24/41/65/460244165.db2.gz KJJRNZHAKCVFSW-KRWDZBQOSA-N 2 1 342.487 3.083 20 30 EGEDMP C=CCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000668552532 461327569 /nfs/dbraw/zinc/32/75/69/461327569.db2.gz OAYBIAVZGIQSIT-UHFFFAOYSA-N 2 1 328.500 3.408 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647977989 461921316 /nfs/dbraw/zinc/92/13/16/461921316.db2.gz KRLYJTJQAKNFBI-RTBURBONSA-N 2 1 343.515 3.185 20 30 EGEDMP C=C(C)C[NH+]1CCC(NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000174363273 526602560 /nfs/dbraw/zinc/60/25/60/526602560.db2.gz PSRBDRNYKKJVMF-UHFFFAOYSA-N 2 1 327.516 3.281 20 30 EGEDMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174274920 528154938 /nfs/dbraw/zinc/15/49/38/528154938.db2.gz TVOOMFNFBCIXLV-UHFFFAOYSA-N 2 1 327.428 3.162 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195290733 1296055284 /nfs/dbraw/zinc/05/52/84/1296055284.db2.gz UXWNPQAZRIBESH-IBGZPJMESA-N 2 1 336.483 3.498 20 30 EGEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)C1 ZINC000262505057 1296636882 /nfs/dbraw/zinc/63/68/82/1296636882.db2.gz BDNVWNZKHFGVIU-VYDXJSESSA-N 2 1 334.533 3.178 20 30 EGEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NC(C)(C)C ZINC000262755601 1296647202 /nfs/dbraw/zinc/64/72/02/1296647202.db2.gz BAECZYMRBFSQDQ-HOCLYGCPSA-N 2 1 336.549 3.485 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=[NH2+])NC(C)(C)C)C1 ZINC000303887949 1296867874 /nfs/dbraw/zinc/86/78/74/1296867874.db2.gz LAQNCXZPZWNMPH-IYBDPMFKSA-N 2 1 330.520 3.367 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000799177741 1310500397 /nfs/dbraw/zinc/50/03/97/1310500397.db2.gz CBBUHOWGIAYRDM-UHFFFAOYSA-N 2 1 343.515 3.281 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000799177741 1310500403 /nfs/dbraw/zinc/50/04/03/1310500403.db2.gz CBBUHOWGIAYRDM-UHFFFAOYSA-N 2 1 343.515 3.281 20 30 EGEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957560421 1317457649 /nfs/dbraw/zinc/45/76/49/1317457649.db2.gz ZMYXICVPSRJFSC-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000815652591 1319037371 /nfs/dbraw/zinc/03/73/71/1319037371.db2.gz JIUJFCFYLUHFKS-MRXNPFEDSA-N 2 1 339.252 3.120 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000815652591 1319037381 /nfs/dbraw/zinc/03/73/81/1319037381.db2.gz JIUJFCFYLUHFKS-MRXNPFEDSA-N 2 1 339.252 3.120 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695615 1319819783 /nfs/dbraw/zinc/81/97/83/1319819783.db2.gz COOZPYMZVWICML-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023695615 1319819800 /nfs/dbraw/zinc/81/98/00/1319819800.db2.gz COOZPYMZVWICML-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023695615 1319819812 /nfs/dbraw/zinc/81/98/12/1319819812.db2.gz COOZPYMZVWICML-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000963345036 1325136740 /nfs/dbraw/zinc/13/67/40/1325136740.db2.gz CWMBKOLPVZRSQT-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945088473 1332496584 /nfs/dbraw/zinc/49/65/84/1332496584.db2.gz BSLMMEKSWKMQML-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948065149 1333360794 /nfs/dbraw/zinc/36/07/94/1333360794.db2.gz HTKYGVYQWCKUKN-PKOBYXMFSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439571 1333526311 /nfs/dbraw/zinc/52/63/11/1333526311.db2.gz SBCGJAQMTRKRFM-MSOLQXFVSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439571 1333526314 /nfs/dbraw/zinc/52/63/14/1333526314.db2.gz SBCGJAQMTRKRFM-MSOLQXFVSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711834 1333643372 /nfs/dbraw/zinc/64/33/72/1333643372.db2.gz USMOVBWQICSKCA-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711834 1333643374 /nfs/dbraw/zinc/64/33/74/1333643374.db2.gz USMOVBWQICSKCA-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711834 1333643376 /nfs/dbraw/zinc/64/33/76/1333643376.db2.gz USMOVBWQICSKCA-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416771 1335924440 /nfs/dbraw/zinc/92/44/40/1335924440.db2.gz AXWPVRXHHLGIKS-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687416 1336011631 /nfs/dbraw/zinc/01/16/31/1336011631.db2.gz ASXYLIDOOJFXPB-AEFFLSMTSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924235 1338771843 /nfs/dbraw/zinc/77/18/43/1338771843.db2.gz SISRAOSYTBXJGQ-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001018166581 1339519878 /nfs/dbraw/zinc/51/98/78/1339519878.db2.gz VVOLQOLSJIXOLZ-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001018166581 1339519880 /nfs/dbraw/zinc/51/98/80/1339519880.db2.gz VVOLQOLSJIXOLZ-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001018166581 1339519884 /nfs/dbraw/zinc/51/98/84/1339519884.db2.gz VVOLQOLSJIXOLZ-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028251791 1340513017 /nfs/dbraw/zinc/51/30/17/1340513017.db2.gz LUEREJIVGXAYEB-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028251791 1340513020 /nfs/dbraw/zinc/51/30/20/1340513020.db2.gz LUEREJIVGXAYEB-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028251791 1340513022 /nfs/dbraw/zinc/51/30/22/1340513022.db2.gz LUEREJIVGXAYEB-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343765 1340583763 /nfs/dbraw/zinc/58/37/63/1340583763.db2.gz RIFSSNHGMJGHPD-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033366386 1341797787 /nfs/dbraw/zinc/79/77/87/1341797787.db2.gz WQQAWKJBSKQIDW-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033366386 1341797789 /nfs/dbraw/zinc/79/77/89/1341797789.db2.gz WQQAWKJBSKQIDW-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033366386 1341797791 /nfs/dbraw/zinc/79/77/91/1341797791.db2.gz WQQAWKJBSKQIDW-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045829 1342186150 /nfs/dbraw/zinc/18/61/50/1342186150.db2.gz NPSNOWPUZQLGIV-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210303 1342320580 /nfs/dbraw/zinc/32/05/80/1342320580.db2.gz GLOVXHWUXQQYON-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210303 1342320583 /nfs/dbraw/zinc/32/05/83/1342320583.db2.gz GLOVXHWUXQQYON-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210303 1342320589 /nfs/dbraw/zinc/32/05/89/1342320589.db2.gz GLOVXHWUXQQYON-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034481289 1342538243 /nfs/dbraw/zinc/53/82/43/1342538243.db2.gz SMTSYJOXTTVZGP-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034481289 1342538246 /nfs/dbraw/zinc/53/82/46/1342538246.db2.gz SMTSYJOXTTVZGP-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034481289 1342538249 /nfs/dbraw/zinc/53/82/49/1342538249.db2.gz SMTSYJOXTTVZGP-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545135 1342606943 /nfs/dbraw/zinc/60/69/43/1342606943.db2.gz PJNCKTYVVVDZKX-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035234112 1343056099 /nfs/dbraw/zinc/05/60/99/1343056099.db2.gz SFGKIGZZLJHTBS-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037934163 1344189750 /nfs/dbraw/zinc/18/97/50/1344189750.db2.gz LDQKEBSQGYWSJD-MSOLQXFVSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039289436 1344998566 /nfs/dbraw/zinc/99/85/66/1344998566.db2.gz UOEXJIXXOKWHOL-ZNBHLAFESA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244052 1345393778 /nfs/dbraw/zinc/39/37/78/1345393778.db2.gz GRQWKPCNGKGLSI-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244052 1345393783 /nfs/dbraw/zinc/39/37/83/1345393783.db2.gz GRQWKPCNGKGLSI-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244052 1345393787 /nfs/dbraw/zinc/39/37/87/1345393787.db2.gz GRQWKPCNGKGLSI-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476981 1347867631 /nfs/dbraw/zinc/86/76/31/1347867631.db2.gz DXPCNSRMIOOWFS-MOPGFXCFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049560915 1347910362 /nfs/dbraw/zinc/91/03/62/1347910362.db2.gz BSAMZLKDMNASOB-OALUTQOASA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049560915 1347910366 /nfs/dbraw/zinc/91/03/66/1347910366.db2.gz BSAMZLKDMNASOB-OALUTQOASA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049560915 1347910370 /nfs/dbraw/zinc/91/03/70/1347910370.db2.gz BSAMZLKDMNASOB-OALUTQOASA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049662332 1347961894 /nfs/dbraw/zinc/96/18/94/1347961894.db2.gz GRJMWFUZKMVIOR-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049662332 1347961897 /nfs/dbraw/zinc/96/18/97/1347961897.db2.gz GRJMWFUZKMVIOR-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049662332 1347961899 /nfs/dbraw/zinc/96/18/99/1347961899.db2.gz GRJMWFUZKMVIOR-SLFFLAALSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448336 1348544600 /nfs/dbraw/zinc/54/46/00/1348544600.db2.gz XRAJHNLSZPNWQY-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448336 1348544602 /nfs/dbraw/zinc/54/46/02/1348544602.db2.gz XRAJHNLSZPNWQY-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448336 1348544603 /nfs/dbraw/zinc/54/46/03/1348544603.db2.gz XRAJHNLSZPNWQY-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763164 1348668541 /nfs/dbraw/zinc/66/85/41/1348668541.db2.gz DOPKVBJXUXIWJK-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141745 1349153035 /nfs/dbraw/zinc/15/30/35/1349153035.db2.gz ORDPGCSHGPTUQF-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141745 1349153039 /nfs/dbraw/zinc/15/30/39/1349153039.db2.gz ORDPGCSHGPTUQF-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141745 1349153040 /nfs/dbraw/zinc/15/30/40/1349153040.db2.gz ORDPGCSHGPTUQF-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071629215 1354812777 /nfs/dbraw/zinc/81/27/77/1354812777.db2.gz XFGAHUWKTVTCGS-NVXWUHKLSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001075458712 1356392138 /nfs/dbraw/zinc/39/21/38/1356392138.db2.gz NZBODYKUTKWDPB-QUCCMNQESA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001099347739 1363764247 /nfs/dbraw/zinc/76/42/47/1363764247.db2.gz CEPKFUXKJDEQEA-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001099347739 1363764248 /nfs/dbraw/zinc/76/42/48/1363764248.db2.gz CEPKFUXKJDEQEA-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001099347739 1363764252 /nfs/dbraw/zinc/76/42/52/1363764252.db2.gz CEPKFUXKJDEQEA-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084768115 1358304789 /nfs/dbraw/zinc/30/47/89/1358304789.db2.gz WDJAXBJWTBGYJH-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768115 1358304791 /nfs/dbraw/zinc/30/47/91/1358304791.db2.gz WDJAXBJWTBGYJH-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768115 1358304792 /nfs/dbraw/zinc/30/47/92/1358304792.db2.gz WDJAXBJWTBGYJH-VAMGGRTRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085597743 1358623734 /nfs/dbraw/zinc/62/37/34/1358623734.db2.gz FHUKWJDGZKTZEQ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085597743 1358623739 /nfs/dbraw/zinc/62/37/39/1358623739.db2.gz FHUKWJDGZKTZEQ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085597743 1358623742 /nfs/dbraw/zinc/62/37/42/1358623742.db2.gz FHUKWJDGZKTZEQ-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086696374 1359188012 /nfs/dbraw/zinc/18/80/12/1359188012.db2.gz HJCUTZICUZHBTJ-GBESFXJTSA-N 2 1 347.547 3.092 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927757 1359252820 /nfs/dbraw/zinc/25/28/20/1359252820.db2.gz LFYMMMLUHWIZPF-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634790 1359565880 /nfs/dbraw/zinc/56/58/80/1359565880.db2.gz VHJCQRYLBNZPHA-RBUKOAKNSA-N 2 1 340.471 3.192 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762883 1359633141 /nfs/dbraw/zinc/63/31/41/1359633141.db2.gz SDYLBTNZQASEJF-VQTJNVASSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569074 1359976927 /nfs/dbraw/zinc/97/69/27/1359976927.db2.gz GEFPFRMTXVKQOD-GGPKGHCWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569074 1359976928 /nfs/dbraw/zinc/97/69/28/1359976928.db2.gz GEFPFRMTXVKQOD-GGPKGHCWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569074 1359976931 /nfs/dbraw/zinc/97/69/31/1359976931.db2.gz GEFPFRMTXVKQOD-GGPKGHCWSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472336 1360455477 /nfs/dbraw/zinc/45/54/77/1360455477.db2.gz GOWXOLUSWWUUHN-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472336 1360455480 /nfs/dbraw/zinc/45/54/80/1360455480.db2.gz GOWXOLUSWWUUHN-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472336 1360455483 /nfs/dbraw/zinc/45/54/83/1360455483.db2.gz GOWXOLUSWWUUHN-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472334 1360455555 /nfs/dbraw/zinc/45/55/55/1360455555.db2.gz GOWXOLUSWWUUHN-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472334 1360455556 /nfs/dbraw/zinc/45/55/56/1360455556.db2.gz GOWXOLUSWWUUHN-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472334 1360455558 /nfs/dbraw/zinc/45/55/58/1360455558.db2.gz GOWXOLUSWWUUHN-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089533735 1360493731 /nfs/dbraw/zinc/49/37/31/1360493731.db2.gz IFOZYCMQWJVMRQ-LJQANCHMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001089721810 1360624423 /nfs/dbraw/zinc/62/44/23/1360624423.db2.gz LEAXMIMSVIAMHM-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001089721810 1360624425 /nfs/dbraw/zinc/62/44/25/1360624425.db2.gz LEAXMIMSVIAMHM-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001089721810 1360624427 /nfs/dbraw/zinc/62/44/27/1360624427.db2.gz LEAXMIMSVIAMHM-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099252672 1363715300 /nfs/dbraw/zinc/71/53/00/1363715300.db2.gz YZGNSAGZNKXQGE-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185227268 1387656702 /nfs/dbraw/zinc/65/67/02/1387656702.db2.gz WKKRMEWRJJOUNA-MSOLQXFVSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536124 1364150754 /nfs/dbraw/zinc/15/07/54/1364150754.db2.gz LFKHDOHXSMGVLH-UHFFFAOYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395812 1364544431 /nfs/dbraw/zinc/54/44/31/1364544431.db2.gz QOHIVJBOILQURQ-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395812 1364544433 /nfs/dbraw/zinc/54/44/33/1364544433.db2.gz QOHIVJBOILQURQ-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101395812 1364544437 /nfs/dbraw/zinc/54/44/37/1364544437.db2.gz QOHIVJBOILQURQ-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001101567038 1364623115 /nfs/dbraw/zinc/62/31/15/1364623115.db2.gz SXNQAZGZYQVJMK-ROUUACIJSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001101591082 1364641808 /nfs/dbraw/zinc/64/18/08/1364641808.db2.gz DMHLNPSTAVUNRV-UHFFFAOYSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330204 1365005496 /nfs/dbraw/zinc/00/54/96/1365005496.db2.gz ISBISNROOLNUSU-GUDVDZBRSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](CCC)CCC)[C@H](C)C1 ZINC001102507878 1365091807 /nfs/dbraw/zinc/09/18/07/1365091807.db2.gz SMNYUQXPSRVJAP-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612997 1365137807 /nfs/dbraw/zinc/13/78/07/1365137807.db2.gz HGQVDEZVYLIMFI-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085355 1365373075 /nfs/dbraw/zinc/37/30/75/1365373075.db2.gz RNAAIRMFOFGYJN-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085355 1365373080 /nfs/dbraw/zinc/37/30/80/1365373080.db2.gz RNAAIRMFOFGYJN-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085355 1365373084 /nfs/dbraw/zinc/37/30/84/1365373084.db2.gz RNAAIRMFOFGYJN-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001185760484 1387791749 /nfs/dbraw/zinc/79/17/49/1387791749.db2.gz AHXKXLBUQLFREN-OALUTQOASA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577112 1366541393 /nfs/dbraw/zinc/54/13/93/1366541393.db2.gz QQNDRMJMHRTJST-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001107427002 1366960897 /nfs/dbraw/zinc/96/08/97/1366960897.db2.gz ZFWVYTZKDMRYBN-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001107427002 1366960900 /nfs/dbraw/zinc/96/09/00/1366960900.db2.gz ZFWVYTZKDMRYBN-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001107427002 1366960902 /nfs/dbraw/zinc/96/09/02/1366960902.db2.gz ZFWVYTZKDMRYBN-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544106 1367035191 /nfs/dbraw/zinc/03/51/91/1367035191.db2.gz MNNHDSKJWBBSOD-QKNQBKEWSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107581600 1367056062 /nfs/dbraw/zinc/05/60/62/1367056062.db2.gz FXFCJKVDABOVQV-SFHLNBCPSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646579 1367091901 /nfs/dbraw/zinc/09/19/01/1367091901.db2.gz LKELOGWIZLHYFF-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109400396 1367105057 /nfs/dbraw/zinc/10/50/57/1367105057.db2.gz DQJYFISILSHTLT-SQNIBIBYSA-N 2 1 335.536 3.163 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890592 1367376008 /nfs/dbraw/zinc/37/60/08/1367376008.db2.gz UBZHLFMTSBYEFG-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956651 1368122635 /nfs/dbraw/zinc/12/26/35/1368122635.db2.gz RQKWVZXCEWSANJ-KURKYZTESA-N 2 1 335.536 3.020 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868896 1368516116 /nfs/dbraw/zinc/51/61/16/1368516116.db2.gz PZHYCZKSSJLPCF-NSHGMRRFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947318 1368570689 /nfs/dbraw/zinc/57/06/89/1368570689.db2.gz BVOXHIDYLPVNJO-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001196275726 1368581805 /nfs/dbraw/zinc/58/18/05/1368581805.db2.gz MTFYICXYGULGKW-UXHICEINSA-N 2 1 347.547 3.284 20 30 EGEDMP CCCCCCC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842348 1368911482 /nfs/dbraw/zinc/91/14/82/1368911482.db2.gz JUYAFDRFPLQVFJ-UHFFFAOYSA-N 2 1 346.519 3.266 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842348 1368911484 /nfs/dbraw/zinc/91/14/84/1368911484.db2.gz JUYAFDRFPLQVFJ-UHFFFAOYSA-N 2 1 346.519 3.266 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198259057 1368991542 /nfs/dbraw/zinc/99/15/42/1368991542.db2.gz KHDRRPOLLKKULI-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001198259057 1368991546 /nfs/dbraw/zinc/99/15/46/1368991546.db2.gz KHDRRPOLLKKULI-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001198259057 1368991553 /nfs/dbraw/zinc/99/15/53/1368991553.db2.gz KHDRRPOLLKKULI-IBGZPJMESA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001113008036 1369132246 /nfs/dbraw/zinc/13/22/46/1369132246.db2.gz CWKZCVPDFCBKSF-MOPGFXCFSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001113008036 1369132247 /nfs/dbraw/zinc/13/22/47/1369132247.db2.gz CWKZCVPDFCBKSF-MOPGFXCFSA-N 2 1 335.536 3.118 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402872 1369400979 /nfs/dbraw/zinc/40/09/79/1369400979.db2.gz IVAPLIJIDFLRAY-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402872 1369400982 /nfs/dbraw/zinc/40/09/82/1369400982.db2.gz IVAPLIJIDFLRAY-LJQANCHMSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441705 1369430965 /nfs/dbraw/zinc/43/09/65/1369430965.db2.gz OLFRZXMZDHOQOX-LJQANCHMSA-N 2 1 339.568 3.467 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001113682740 1369564253 /nfs/dbraw/zinc/56/42/53/1369564253.db2.gz QLAIFGYOXWLLPB-LJQANCHMSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507585 1370149146 /nfs/dbraw/zinc/14/91/46/1370149146.db2.gz TWWVSZIBPXWSBY-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732439 1370240343 /nfs/dbraw/zinc/24/03/43/1370240343.db2.gz YNVXIFGIYKYKPH-MSOLQXFVSA-N 2 1 346.519 3.179 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543719 1370540142 /nfs/dbraw/zinc/54/01/42/1370540142.db2.gz XKPNWNSYVBHXOO-RTBURBONSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592199 1370594149 /nfs/dbraw/zinc/59/41/49/1370594149.db2.gz YGWSFHVLLQIGJN-RTBURBONSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001115648162 1370636609 /nfs/dbraw/zinc/63/66/09/1370636609.db2.gz CRYAJKWXFFGQIV-UHFFFAOYSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC001115772951 1370755648 /nfs/dbraw/zinc/75/56/48/1370755648.db2.gz CFHXIEWORXBKLK-UHFFFAOYSA-N 2 1 346.519 3.347 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483750 1370769319 /nfs/dbraw/zinc/76/93/19/1370769319.db2.gz PWJINQAYCPFBPU-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206003101 1370934229 /nfs/dbraw/zinc/93/42/29/1370934229.db2.gz DSSWLSNVDVJNOI-CHWSQXEVSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001206287835 1371013247 /nfs/dbraw/zinc/01/32/47/1371013247.db2.gz KHTBYYFNNOTISA-UHFFFAOYSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCCCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206463708 1371062385 /nfs/dbraw/zinc/06/23/85/1371062385.db2.gz CEZJRMSNMPJCNI-AZUAARDMSA-N 2 1 334.504 3.177 20 30 EGEDMP CCCCCCCCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206463708 1371062391 /nfs/dbraw/zinc/06/23/91/1371062391.db2.gz CEZJRMSNMPJCNI-AZUAARDMSA-N 2 1 334.504 3.177 20 30 EGEDMP C[N@@H+](CCC[NH2+]CCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC001118085495 1371130117 /nfs/dbraw/zinc/13/01/17/1371130117.db2.gz GHELNBMXVYFMCE-UHFFFAOYSA-N 2 1 342.487 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206960157 1371248050 /nfs/dbraw/zinc/24/80/50/1371248050.db2.gz VVWPYDYVRFFUSR-QRVBRYPASA-N 2 1 337.552 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206960157 1371248056 /nfs/dbraw/zinc/24/80/56/1371248056.db2.gz VVWPYDYVRFFUSR-QRVBRYPASA-N 2 1 337.552 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001206960157 1371248059 /nfs/dbraw/zinc/24/80/59/1371248059.db2.gz VVWPYDYVRFFUSR-QRVBRYPASA-N 2 1 337.552 3.266 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001206974728 1371255050 /nfs/dbraw/zinc/25/50/50/1371255050.db2.gz OYJHMHHCBRQGED-KZNAEPCWSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001120245792 1371513167 /nfs/dbraw/zinc/51/31/67/1371513167.db2.gz RXGVESZMCQQFLA-UHFFFAOYSA-N 2 1 343.515 3.103 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001120245792 1371513170 /nfs/dbraw/zinc/51/31/70/1371513170.db2.gz RXGVESZMCQQFLA-UHFFFAOYSA-N 2 1 343.515 3.103 20 30 EGEDMP C=CCCC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001209158493 1372019345 /nfs/dbraw/zinc/01/93/45/1372019345.db2.gz PQEMABHHMILMDC-HXUWFJFHSA-N 2 1 343.515 3.351 20 30 EGEDMP C=CCCCC[NH+]1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001209202809 1372035598 /nfs/dbraw/zinc/03/55/98/1372035598.db2.gz QOARSFGLNCCAKW-UHFFFAOYSA-N 2 1 343.515 3.352 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001121859733 1372105955 /nfs/dbraw/zinc/10/59/55/1372105955.db2.gz GWJIIXXXFMTWSO-MBEFBZSESA-N 2 1 347.547 3.233 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855579 1373130534 /nfs/dbraw/zinc/13/05/34/1373130534.db2.gz HFQJDHMNKZTARH-KURKYZTESA-N 2 1 346.519 3.167 20 30 EGEDMP Cc1c(O[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)ccc2c1CC[NH2+]C2 ZINC001218336382 1373599230 /nfs/dbraw/zinc/59/92/30/1373599230.db2.gz HAIWLVYYHKUHSQ-FQEVSTJZSA-N 2 1 347.462 3.166 20 30 EGEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664873 1388356572 /nfs/dbraw/zinc/35/65/72/1388356572.db2.gz UCRNVVXGBFLQOF-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664873 1388356576 /nfs/dbraw/zinc/35/65/76/1388356576.db2.gz UCRNVVXGBFLQOF-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664873 1388356585 /nfs/dbraw/zinc/35/65/85/1388356585.db2.gz UCRNVVXGBFLQOF-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001226767113 1375328734 /nfs/dbraw/zinc/32/87/34/1375328734.db2.gz QRAGCBUXBWPMAK-AQNXPRMDSA-N 2 1 347.547 3.377 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132410066 1375358989 /nfs/dbraw/zinc/35/89/89/1375358989.db2.gz JKIAQWUDMPBIIO-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132410066 1375358992 /nfs/dbraw/zinc/35/89/92/1375358992.db2.gz JKIAQWUDMPBIIO-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410066 1375358994 /nfs/dbraw/zinc/35/89/94/1375358994.db2.gz JKIAQWUDMPBIIO-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001132417365 1375365180 /nfs/dbraw/zinc/36/51/80/1375365180.db2.gz WLZYVYLBQVHQNU-XLIONFOSSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132548528 1375455550 /nfs/dbraw/zinc/45/55/50/1375455550.db2.gz FBJBJVIOMYMNCA-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP CCCC[N@H+](CCC#N)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140305316 1378042905 /nfs/dbraw/zinc/04/29/05/1378042905.db2.gz UYPYGFBRSQSTEY-UHFFFAOYSA-N 2 1 328.504 3.344 20 30 EGEDMP CCCC[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140305316 1378042906 /nfs/dbraw/zinc/04/29/06/1378042906.db2.gz UYPYGFBRSQSTEY-UHFFFAOYSA-N 2 1 328.504 3.344 20 30 EGEDMP N#Cc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)nc1 ZINC001144158821 1378689196 /nfs/dbraw/zinc/68/91/96/1378689196.db2.gz QVPFVBCRVWOALX-UHFFFAOYSA-N 2 1 336.439 3.034 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001156305560 1380555033 /nfs/dbraw/zinc/55/50/33/1380555033.db2.gz CMJIJSSSOLICMT-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156305560 1380555034 /nfs/dbraw/zinc/55/50/34/1380555034.db2.gz CMJIJSSSOLICMT-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156305560 1380555035 /nfs/dbraw/zinc/55/50/35/1380555035.db2.gz CMJIJSSSOLICMT-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001160125519 1382004856 /nfs/dbraw/zinc/00/48/56/1382004856.db2.gz KCJQPQKBWXJCIB-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169526 1382024462 /nfs/dbraw/zinc/02/44/62/1382024462.db2.gz UGKNGDNHXWEAQI-YZGWKJHDSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169526 1382024464 /nfs/dbraw/zinc/02/44/64/1382024464.db2.gz UGKNGDNHXWEAQI-YZGWKJHDSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169526 1382024468 /nfs/dbraw/zinc/02/44/68/1382024468.db2.gz UGKNGDNHXWEAQI-YZGWKJHDSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406698 1382096001 /nfs/dbraw/zinc/09/60/01/1382096001.db2.gz SRBKSNFTPLRHOS-MJGOQNOKSA-N 2 1 335.536 3.066 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161206716 1382340879 /nfs/dbraw/zinc/34/08/79/1382340879.db2.gz LBUAOHGNPDQIAT-ICSRJNTNSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206716 1382340883 /nfs/dbraw/zinc/34/08/83/1382340883.db2.gz LBUAOHGNPDQIAT-ICSRJNTNSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161206716 1382340887 /nfs/dbraw/zinc/34/08/87/1382340887.db2.gz LBUAOHGNPDQIAT-ICSRJNTNSA-N 2 1 347.547 3.069 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161214074 1382344304 /nfs/dbraw/zinc/34/43/04/1382344304.db2.gz SBPIQLRMZVTIOZ-LJQANCHMSA-N 2 1 349.563 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161214074 1382344309 /nfs/dbraw/zinc/34/43/09/1382344309.db2.gz SBPIQLRMZVTIOZ-LJQANCHMSA-N 2 1 349.563 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001161214074 1382344315 /nfs/dbraw/zinc/34/43/15/1382344315.db2.gz SBPIQLRMZVTIOZ-LJQANCHMSA-N 2 1 349.563 3.437 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161553941 1382438755 /nfs/dbraw/zinc/43/87/55/1382438755.db2.gz KBWWHGKWMIITRB-LJQANCHMSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161622048 1382462371 /nfs/dbraw/zinc/46/23/71/1382462371.db2.gz JDFOLRXYNFPNBT-UHFFFAOYSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927231 1383366244 /nfs/dbraw/zinc/36/62/44/1383366244.db2.gz WNUVPXUVQWABHZ-OALUTQOASA-N 2 1 349.563 3.338 20 30 EGEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H](C)CCC[NH+](CC)CC ZINC001167828044 1383751143 /nfs/dbraw/zinc/75/11/43/1383751143.db2.gz VNAALSRXIGLDKN-IEBWSBKVSA-N 2 1 348.535 3.032 20 30 EGEDMP N#CCc1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)cc[nH+]1 ZINC001169000074 1384083875 /nfs/dbraw/zinc/08/38/75/1384083875.db2.gz UKUNQYXFBJKDGG-UHFFFAOYSA-N 2 1 325.803 3.031 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(-n2nnc3ccc(C[NH3+])cc32)cc1 ZINC001170025806 1384220681 /nfs/dbraw/zinc/22/06/81/1384220681.db2.gz FRRTZKPGPHOZFK-IBGZPJMESA-N 2 1 333.439 3.202 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170784362 1384384544 /nfs/dbraw/zinc/38/45/44/1384384544.db2.gz IXLAHZAZUJWCCG-OALUTQOASA-N 2 1 349.563 3.482 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170788136 1384385780 /nfs/dbraw/zinc/38/57/80/1384385780.db2.gz ZMGRZJPOGQNXCK-MOPGFXCFSA-N 2 1 349.563 3.482 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001171189556 1384465041 /nfs/dbraw/zinc/46/50/41/1384465041.db2.gz HJXGAVYLWFKAGR-FBEWHJACSA-N 2 1 331.463 3.209 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001171189556 1384465044 /nfs/dbraw/zinc/46/50/44/1384465044.db2.gz HJXGAVYLWFKAGR-FBEWHJACSA-N 2 1 331.463 3.209 20 30 EGEDMP Cc1cc(N([C@@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)nc(C)[nH+]1 ZINC001171231331 1384474808 /nfs/dbraw/zinc/47/48/08/1384474808.db2.gz IPNOZOITKZSZMZ-INIZCTEOSA-N 2 1 349.482 3.155 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001171618207 1384581750 /nfs/dbraw/zinc/58/17/50/1384581750.db2.gz GAACXJSHXMZWTC-KRWDZBQOSA-N 2 1 337.552 3.480 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120210 1384732661 /nfs/dbraw/zinc/73/26/61/1384732661.db2.gz ATOVOHGPOHMHDA-PXCRPINLSA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120210 1384732664 /nfs/dbraw/zinc/73/26/64/1384732664.db2.gz ATOVOHGPOHMHDA-PXCRPINLSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120210 1384732670 /nfs/dbraw/zinc/73/26/70/1384732670.db2.gz ATOVOHGPOHMHDA-PXCRPINLSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120210 1384732673 /nfs/dbraw/zinc/73/26/73/1384732673.db2.gz ATOVOHGPOHMHDA-PXCRPINLSA-N 2 1 339.483 3.417 20 30 EGEDMP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](CCCOC)CC1 ZINC001172255690 1384756939 /nfs/dbraw/zinc/75/69/39/1384756939.db2.gz KKLIRUSORGYCIC-OAQYLSRUSA-N 2 1 326.484 3.110 20 30 EGEDMP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](CCCOC)CC1 ZINC001172255690 1384756943 /nfs/dbraw/zinc/75/69/43/1384756943.db2.gz KKLIRUSORGYCIC-OAQYLSRUSA-N 2 1 326.484 3.110 20 30 EGEDMP Cc1ccc[nH+]c1N([C@H](C)Cc1ccc(C#N)cc1)C1CC[NH2+]CC1 ZINC001172312917 1384767156 /nfs/dbraw/zinc/76/71/56/1384767156.db2.gz LXIHNMSOULWIDQ-QGZVFWFLSA-N 2 1 334.467 3.451 20 30 EGEDMP C[NH+](C)Cc1ccccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001173928953 1385032095 /nfs/dbraw/zinc/03/20/95/1385032095.db2.gz IDXHZPNPYOMVPD-UHFFFAOYSA-N 2 1 326.469 3.413 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175572798 1385335690 /nfs/dbraw/zinc/33/56/90/1385335690.db2.gz MGJVKDWQYNQEJL-DLBZAZTESA-N 2 1 343.943 3.266 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001176111788 1385486822 /nfs/dbraw/zinc/48/68/22/1385486822.db2.gz JZOFAMWMTKJNAD-MOPGFXCFSA-N 2 1 337.552 3.482 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176565399 1385626535 /nfs/dbraw/zinc/62/65/35/1385626535.db2.gz UYEYNZZWLQQIRE-QZTJIDSGSA-N 2 1 325.541 3.173 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001177349026 1385924565 /nfs/dbraw/zinc/92/45/65/1385924565.db2.gz VAWWKUUIPGPILG-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177416115 1385949868 /nfs/dbraw/zinc/94/98/68/1385949868.db2.gz UZLTZYGCASFPRA-QUCCMNQESA-N 2 1 349.563 3.149 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001177434194 1385956253 /nfs/dbraw/zinc/95/62/53/1385956253.db2.gz SDSRMUGBCBSUOC-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811394 1386314316 /nfs/dbraw/zinc/31/43/16/1386314316.db2.gz UIHJQLJKQKLQAO-RTBURBONSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234134 1386428198 /nfs/dbraw/zinc/42/81/98/1386428198.db2.gz KGDSTRFRRCHILZ-HKUYNNGSSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752514786 1440190863 /nfs/dbraw/zinc/19/08/63/1440190863.db2.gz SQZYTRNWEOYZCT-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001752708143 1440203118 /nfs/dbraw/zinc/20/31/18/1440203118.db2.gz RLJSTHWEOCLSNK-VQTJNVASSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001752736984 1440204390 /nfs/dbraw/zinc/20/43/90/1440204390.db2.gz GNOIKALJXODVLU-RDGPPVDQSA-N 2 1 335.536 3.211 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001753001439 1440264832 /nfs/dbraw/zinc/26/48/32/1440264832.db2.gz ZZNCOHOKJHJGPQ-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001753001439 1440264833 /nfs/dbraw/zinc/26/48/33/1440264833.db2.gz ZZNCOHOKJHJGPQ-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753001439 1440264834 /nfs/dbraw/zinc/26/48/34/1440264834.db2.gz ZZNCOHOKJHJGPQ-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001753001439 1440264835 /nfs/dbraw/zinc/26/48/35/1440264835.db2.gz ZZNCOHOKJHJGPQ-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001753040538 1440276165 /nfs/dbraw/zinc/27/61/65/1440276165.db2.gz ZPFVOTJPHZNKTJ-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001753569507 1440438267 /nfs/dbraw/zinc/43/82/67/1440438267.db2.gz WRKNYGSCUMPCFH-IBGZPJMESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001754549740 1440629645 /nfs/dbraw/zinc/62/96/45/1440629645.db2.gz RDRXSCRMJZVEFE-HXUWFJFHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001754549740 1440629646 /nfs/dbraw/zinc/62/96/46/1440629646.db2.gz RDRXSCRMJZVEFE-HXUWFJFHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001754549740 1440629647 /nfs/dbraw/zinc/62/96/47/1440629647.db2.gz RDRXSCRMJZVEFE-HXUWFJFHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001755127935 1440756611 /nfs/dbraw/zinc/75/66/11/1440756611.db2.gz PAIJSERKGAEESX-KRWDZBQOSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CCCCCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755133096 1440757631 /nfs/dbraw/zinc/75/76/31/1440757631.db2.gz BQJDKDGJTADZKU-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001755275608 1440798843 /nfs/dbraw/zinc/79/88/43/1440798843.db2.gz YMKPPEYHDMXBGC-LRYGQEGESA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C(C)(C)C1 ZINC001755411435 1440846465 /nfs/dbraw/zinc/84/64/65/1440846465.db2.gz CCARKWYWDFHXKD-QGZVFWFLSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001755411435 1440846466 /nfs/dbraw/zinc/84/64/66/1440846466.db2.gz CCARKWYWDFHXKD-QGZVFWFLSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001755411435 1440846467 /nfs/dbraw/zinc/84/64/67/1440846467.db2.gz CCARKWYWDFHXKD-QGZVFWFLSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001755722382 1440908072 /nfs/dbraw/zinc/90/80/72/1440908072.db2.gz ODXSRXMAOXMQMD-YLJYHZDGSA-N 2 1 343.515 3.297 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)oc1C ZINC000111412063 220153216 /nfs/dbraw/zinc/15/32/16/220153216.db2.gz WKDDIIMUQKKHMN-UHFFFAOYSA-N 2 1 338.455 3.165 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190771049 153158559 /nfs/dbraw/zinc/15/85/59/153158559.db2.gz MTXJKHZECARQJK-QGZVFWFLSA-N 2 1 336.483 3.418 20 30 EGEDMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271954236 267179331 /nfs/dbraw/zinc/17/93/31/267179331.db2.gz PJLMAEOHPAZQGS-GKCIPKSASA-N 2 1 345.462 3.116 20 30 EGEDMP C[N@H+](Cc1cccc(F)c1C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000428302740 267319362 /nfs/dbraw/zinc/31/93/62/267319362.db2.gz NMGYVPVFLCERLI-UHFFFAOYSA-N 2 1 338.430 3.441 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000623485421 460574520 /nfs/dbraw/zinc/57/45/20/460574520.db2.gz YKJRLNZDASNELK-UHFFFAOYSA-N 2 1 336.863 3.265 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245772257 455377719 /nfs/dbraw/zinc/37/77/19/455377719.db2.gz SAQVJGLNPVWIQS-HKUYNNGSSA-N 2 1 327.472 3.285 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000245772257 455377721 /nfs/dbraw/zinc/37/77/21/455377721.db2.gz SAQVJGLNPVWIQS-HKUYNNGSSA-N 2 1 327.472 3.285 20 30 EGEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000092043393 454507964 /nfs/dbraw/zinc/50/79/64/454507964.db2.gz IRMVUJKGOFSADI-ROUUACIJSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000092043393 454507972 /nfs/dbraw/zinc/50/79/72/454507972.db2.gz IRMVUJKGOFSADI-ROUUACIJSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043393 454507975 /nfs/dbraw/zinc/50/79/75/454507975.db2.gz IRMVUJKGOFSADI-ROUUACIJSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043393 454507983 /nfs/dbraw/zinc/50/79/83/454507983.db2.gz IRMVUJKGOFSADI-ROUUACIJSA-N 2 1 330.472 3.176 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000180164349 455142662 /nfs/dbraw/zinc/14/26/62/455142662.db2.gz SAFVTCOGSNUXEP-UHFFFAOYSA-N 2 1 333.442 3.033 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)[C@H](C)C1 ZINC000247080440 455556933 /nfs/dbraw/zinc/55/69/33/455556933.db2.gz OVLQYFYKYXLZHJ-HLIPFELVSA-N 2 1 329.488 3.346 20 30 EGEDMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278251473 455797869 /nfs/dbraw/zinc/79/78/69/455797869.db2.gz MNDRDSLPWLYAAC-FQEVSTJZSA-N 2 1 328.504 3.017 20 30 EGEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NC2CCCCC2)cc1F ZINC000261989549 455983200 /nfs/dbraw/zinc/98/32/00/455983200.db2.gz LJIANWIKAVDJSZ-UHFFFAOYSA-N 2 1 329.423 3.057 20 30 EGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270592325 455991176 /nfs/dbraw/zinc/99/11/76/455991176.db2.gz SULKEXALXYRLBB-WFASDCNBSA-N 2 1 340.874 3.175 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290399706 456316105 /nfs/dbraw/zinc/31/61/05/456316105.db2.gz JHDCTWAZMQJOJW-MSOLQXFVSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000290399706 456316108 /nfs/dbraw/zinc/31/61/08/456316108.db2.gz JHDCTWAZMQJOJW-MSOLQXFVSA-N 2 1 330.472 3.176 20 30 EGEDMP C[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337201073 456337592 /nfs/dbraw/zinc/33/75/92/456337592.db2.gz FPMWJMTUXDCFDF-ZWKOTPCHSA-N 2 1 333.520 3.330 20 30 EGEDMP C=CCC[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000340505226 456497971 /nfs/dbraw/zinc/49/79/71/456497971.db2.gz NJZTWLADWZCFRX-WOJBJXKFSA-N 2 1 340.467 3.296 20 30 EGEDMP C=CCC[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccco1 ZINC000340505226 456497973 /nfs/dbraw/zinc/49/79/73/456497973.db2.gz NJZTWLADWZCFRX-WOJBJXKFSA-N 2 1 340.467 3.296 20 30 EGEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000277214261 456727344 /nfs/dbraw/zinc/72/73/44/456727344.db2.gz FPDWZRRCEJNPOL-MRXNPFEDSA-N 2 1 332.492 3.038 20 30 EGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000354280853 457170451 /nfs/dbraw/zinc/17/04/51/457170451.db2.gz OXVFHSXTZLEQMK-FQEVSTJZSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3nccn3C)C2)c1C ZINC000365632759 457766981 /nfs/dbraw/zinc/76/69/81/457766981.db2.gz UFGRYGNLYIROFI-QGZVFWFLSA-N 2 1 340.471 3.087 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1C ZINC000365632759 457766991 /nfs/dbraw/zinc/76/69/91/457766991.db2.gz UFGRYGNLYIROFI-QGZVFWFLSA-N 2 1 340.471 3.087 20 30 EGEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC000358143361 457812053 /nfs/dbraw/zinc/81/20/53/457812053.db2.gz SVRCJVQESMFKCI-WEOZKBJRSA-N 2 1 327.472 3.321 20 30 EGEDMP C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000358143361 457812061 /nfs/dbraw/zinc/81/20/61/457812061.db2.gz SVRCJVQESMFKCI-WEOZKBJRSA-N 2 1 327.472 3.321 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000377885201 458562587 /nfs/dbraw/zinc/56/25/87/458562587.db2.gz RQWJAOVTTOHTAB-LPHOPBHVSA-N 2 1 327.472 3.141 20 30 EGEDMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000424298153 458608497 /nfs/dbraw/zinc/60/84/97/458608497.db2.gz SBLGHMRKVZCZHX-FCMAGTKHSA-N 2 1 326.484 3.078 20 30 EGEDMP C=CCCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512668213 458787616 /nfs/dbraw/zinc/78/76/16/458787616.db2.gz TYYWOWVHPQBBTL-QHAWAJNXSA-N 2 1 328.500 3.469 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CCCN(c3[nH+]ccc4[nH]ccc43)CC2)cc1 ZINC000590571515 459151403 /nfs/dbraw/zinc/15/14/03/459151403.db2.gz DHGMHRSKYHDGAD-UHFFFAOYSA-N 2 1 331.423 3.147 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000569738475 459501548 /nfs/dbraw/zinc/50/15/48/459501548.db2.gz QTQGUZZNXFYFNW-KRWDZBQOSA-N 2 1 326.488 3.430 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488003355 459537069 /nfs/dbraw/zinc/53/70/69/459537069.db2.gz RROUBVCWPKUMPA-FXAWDEMLSA-N 2 1 329.488 3.093 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647181185 461548879 /nfs/dbraw/zinc/54/88/79/461548879.db2.gz OIVZSYXTNWGIEZ-UHFFFAOYSA-N 2 1 328.460 3.119 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OC ZINC000127276915 1293558304 /nfs/dbraw/zinc/55/83/04/1293558304.db2.gz INLQAVRQOGODBG-KRWDZBQOSA-N 2 1 330.472 3.224 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(O)c(OC)c1 ZINC000164398414 1294347059 /nfs/dbraw/zinc/34/70/59/1294347059.db2.gz JEYHPMIUEUGXHP-QGZVFWFLSA-N 2 1 330.472 3.047 20 30 EGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000246389549 1296350635 /nfs/dbraw/zinc/35/06/35/1296350635.db2.gz PERBMMLOXQZHBK-MJGOQNOKSA-N 2 1 329.488 3.435 20 30 EGEDMP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246993014 1296377864 /nfs/dbraw/zinc/37/78/64/1296377864.db2.gz KWOFJJWEUOOUDL-CEXWTWQISA-N 2 1 344.499 3.239 20 30 EGEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)NC(C)(C)C ZINC000262755598 1296646149 /nfs/dbraw/zinc/64/61/49/1296646149.db2.gz BAECZYMRBFSQDQ-GOEBONIOSA-N 2 1 336.549 3.485 20 30 EGEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303723930 1296847829 /nfs/dbraw/zinc/84/78/29/1296847829.db2.gz ZJMVVDGEZDUPPJ-DGCLKSJQSA-N 2 1 343.302 3.443 20 30 EGEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303784443 1296854105 /nfs/dbraw/zinc/85/41/05/1296854105.db2.gz PBSNYVBIBOSZFH-VQIMIIECSA-N 2 1 346.519 3.284 20 30 EGEDMP CC[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303867404 1296863582 /nfs/dbraw/zinc/86/35/82/1296863582.db2.gz CWCXZKZDHJUIAP-LBPRGKRZSA-N 2 1 344.381 3.044 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCCCCn2cc[nH+]c2C)cc1Cl ZINC000304757171 1296941601 /nfs/dbraw/zinc/94/16/01/1296941601.db2.gz ONFIIOHQQCGVNT-UHFFFAOYSA-N 2 1 335.839 3.061 20 30 EGEDMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C#N ZINC000708588522 1298242851 /nfs/dbraw/zinc/24/28/51/1298242851.db2.gz WADXPASASXLLGS-LAUBAEHRSA-N 2 1 349.478 3.425 20 30 EGEDMP C=CC(C)(C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000879290756 1300470542 /nfs/dbraw/zinc/47/05/42/1300470542.db2.gz MSBKLGMISIILDY-RBUKOAKNSA-N 2 1 349.563 3.384 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957561600 1317458877 /nfs/dbraw/zinc/45/88/77/1317458877.db2.gz WDDRELKCICGLSV-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1cccc(C#N)c1 ZINC000902795865 1317617322 /nfs/dbraw/zinc/61/73/22/1317617322.db2.gz KKOVDDUITGLGHM-IBGZPJMESA-N 2 1 327.472 3.244 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369583 1319481900 /nfs/dbraw/zinc/48/19/00/1319481900.db2.gz FKCXHPYYQKUHRU-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369583 1319481906 /nfs/dbraw/zinc/48/19/06/1319481906.db2.gz FKCXHPYYQKUHRU-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369583 1319481913 /nfs/dbraw/zinc/48/19/13/1319481913.db2.gz FKCXHPYYQKUHRU-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023395960 1319502346 /nfs/dbraw/zinc/50/23/46/1319502346.db2.gz NUEXDPHGLCHYFT-MRXNPFEDSA-N 2 1 349.544 3.218 20 30 EGEDMP N#CCCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000822660196 1320109938 /nfs/dbraw/zinc/10/99/38/1320109938.db2.gz YLXQBKYYNYYMBW-INIZCTEOSA-N 2 1 325.416 3.026 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(O)c(OC)c1 ZINC000840085934 1321024691 /nfs/dbraw/zinc/02/46/91/1321024691.db2.gz IUVQSIKURKDJKE-HXUWFJFHSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(O)c(OC)c1 ZINC000840085934 1321024698 /nfs/dbraw/zinc/02/46/98/1321024698.db2.gz IUVQSIKURKDJKE-HXUWFJFHSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(O)c(OC)c1 ZINC000840085934 1321024703 /nfs/dbraw/zinc/02/47/03/1321024703.db2.gz IUVQSIKURKDJKE-HXUWFJFHSA-N 2 1 330.472 3.047 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924983981 1323236429 /nfs/dbraw/zinc/23/64/29/1323236429.db2.gz KYLZEIPUQVHLKL-QRWLVFNGSA-N 2 1 347.478 3.022 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279566 1324101875 /nfs/dbraw/zinc/10/18/75/1324101875.db2.gz DRFIRFLWGIKCNS-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279569 1324101903 /nfs/dbraw/zinc/10/19/03/1324101903.db2.gz DRFIRFLWGIKCNS-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484193 1324332160 /nfs/dbraw/zinc/33/21/60/1324332160.db2.gz AJGPESVJGDZHPZ-IRXDYDNUSA-N 2 1 340.471 3.131 20 30 EGEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853239395 1325070164 /nfs/dbraw/zinc/07/01/64/1325070164.db2.gz GPROBTPIMAITKM-HKUYNNGSSA-N 2 1 326.484 3.471 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963310256 1325093781 /nfs/dbraw/zinc/09/37/81/1325093781.db2.gz CVZQVRFSHKRMGW-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310256 1325093788 /nfs/dbraw/zinc/09/37/88/1325093788.db2.gz CVZQVRFSHKRMGW-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310256 1325093798 /nfs/dbraw/zinc/09/37/98/1325093798.db2.gz CVZQVRFSHKRMGW-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001027542339 1327845957 /nfs/dbraw/zinc/84/59/57/1327845957.db2.gz KISBTZYHTWNOIP-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001027542339 1327845962 /nfs/dbraw/zinc/84/59/62/1327845962.db2.gz KISBTZYHTWNOIP-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001027542339 1327845969 /nfs/dbraw/zinc/84/59/69/1327845969.db2.gz KISBTZYHTWNOIP-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C[C@@H]1C[C@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000927162844 1327900973 /nfs/dbraw/zinc/90/09/73/1327900973.db2.gz BACRWKSOQQQEOH-YLJYHZDGSA-N 2 1 349.482 3.008 20 30 EGEDMP C[C@@H]1C[C@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000927162844 1327900979 /nfs/dbraw/zinc/90/09/79/1327900979.db2.gz BACRWKSOQQQEOH-YLJYHZDGSA-N 2 1 349.482 3.008 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260383 1330086811 /nfs/dbraw/zinc/08/68/11/1330086811.db2.gz FYXSHVWPTUBYEQ-CQSZACIVSA-N 2 1 335.423 3.295 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355879 1369367087 /nfs/dbraw/zinc/36/70/87/1369367087.db2.gz UWWIGJRBWGHILH-UHFFFAOYSA-N 2 1 325.541 3.079 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968687417 1336011484 /nfs/dbraw/zinc/01/14/84/1336011484.db2.gz ASXYLIDOOJFXPB-FUHWJXTLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928539 1336092976 /nfs/dbraw/zinc/09/29/76/1336092976.db2.gz NJOGICKECYFMOH-WOJBJXKFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928539 1336092978 /nfs/dbraw/zinc/09/29/78/1336092978.db2.gz NJOGICKECYFMOH-WOJBJXKFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928539 1336092979 /nfs/dbraw/zinc/09/29/79/1336092979.db2.gz NJOGICKECYFMOH-WOJBJXKFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005502210 1336362818 /nfs/dbraw/zinc/36/28/18/1336362818.db2.gz AAYBZYFFBASFMX-FQEVSTJZSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001017565882 1339368613 /nfs/dbraw/zinc/36/86/13/1339368613.db2.gz YVVLUIQVFSTTTO-KURKYZTESA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001017565882 1339368614 /nfs/dbraw/zinc/36/86/14/1339368614.db2.gz YVVLUIQVFSTTTO-KURKYZTESA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001018303801 1339569778 /nfs/dbraw/zinc/56/97/78/1339569778.db2.gz BMJFOPCSRWOGTM-BGYRXZFFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045828 1342185638 /nfs/dbraw/zinc/18/56/38/1342185638.db2.gz NPSNOWPUZQLGIV-FQEVSTJZSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210321 1342319859 /nfs/dbraw/zinc/31/98/59/1342319859.db2.gz GLOVXHWUXQQYON-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210321 1342319861 /nfs/dbraw/zinc/31/98/61/1342319861.db2.gz GLOVXHWUXQQYON-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210321 1342319864 /nfs/dbraw/zinc/31/98/64/1342319864.db2.gz GLOVXHWUXQQYON-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360358 1342432070 /nfs/dbraw/zinc/43/20/70/1342432070.db2.gz HWPIFGSKZQAXLI-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360358 1342432074 /nfs/dbraw/zinc/43/20/74/1342432074.db2.gz HWPIFGSKZQAXLI-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360358 1342432076 /nfs/dbraw/zinc/43/20/76/1342432076.db2.gz HWPIFGSKZQAXLI-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)CC2 ZINC001035736547 1343161423 /nfs/dbraw/zinc/16/14/23/1343161423.db2.gz FTVCWYDCGLWDBU-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039180131 1344876600 /nfs/dbraw/zinc/87/66/00/1344876600.db2.gz LWNFVZMZZHEMPW-UXHICEINSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241305 1345392035 /nfs/dbraw/zinc/39/20/35/1345392035.db2.gz NCDPAQYPIHRZTG-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241305 1345392039 /nfs/dbraw/zinc/39/20/39/1345392039.db2.gz NCDPAQYPIHRZTG-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241305 1345392042 /nfs/dbraw/zinc/39/20/42/1345392042.db2.gz NCDPAQYPIHRZTG-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433850 1345497387 /nfs/dbraw/zinc/49/73/87/1345497387.db2.gz ZRRJAKJYFMODHK-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424887 1345725603 /nfs/dbraw/zinc/72/56/03/1345725603.db2.gz QERUTUCEUYSVTL-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424887 1345725606 /nfs/dbraw/zinc/72/56/06/1345725606.db2.gz QERUTUCEUYSVTL-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424887 1345725608 /nfs/dbraw/zinc/72/56/08/1345725608.db2.gz QERUTUCEUYSVTL-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486135 1347871802 /nfs/dbraw/zinc/87/18/02/1347871802.db2.gz QNHYZUPTQLTLTN-RCCFBDPRSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486135 1347871804 /nfs/dbraw/zinc/87/18/04/1347871804.db2.gz QNHYZUPTQLTLTN-RCCFBDPRSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954365 1348768409 /nfs/dbraw/zinc/76/84/09/1348768409.db2.gz NCZRWNSZHHGABG-FQEVSTJZSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107994 1348947675 /nfs/dbraw/zinc/94/76/75/1348947675.db2.gz OGFKDKVAFSWWEQ-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2C1 ZINC001054285503 1349288280 /nfs/dbraw/zinc/28/82/80/1349288280.db2.gz LJTKAPDGSVSNRM-UHFFFAOYSA-N 2 1 349.478 3.180 20 30 EGEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C[NH+](C)C)cc3)cc2C1 ZINC001054285503 1349288283 /nfs/dbraw/zinc/28/82/83/1349288283.db2.gz LJTKAPDGSVSNRM-UHFFFAOYSA-N 2 1 349.478 3.180 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072099489 1355129347 /nfs/dbraw/zinc/12/93/47/1355129347.db2.gz RKMPXUHXRFYODN-MJGOQNOKSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085352716 1358476573 /nfs/dbraw/zinc/47/65/73/1358476573.db2.gz TXTJKJWOKGBPGN-ZACQAIPSSA-N 2 1 341.927 3.019 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086942355 1359264121 /nfs/dbraw/zinc/26/41/21/1359264121.db2.gz OULLLHVOHYWGJO-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840781 1359675500 /nfs/dbraw/zinc/67/55/00/1359675500.db2.gz NRYMLBDKYWZVRD-VQTJNVASSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426147 1360419316 /nfs/dbraw/zinc/41/93/16/1360419316.db2.gz HCVRLJLBQQRUCJ-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426147 1360419318 /nfs/dbraw/zinc/41/93/18/1360419318.db2.gz HCVRLJLBQQRUCJ-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426147 1360419320 /nfs/dbraw/zinc/41/93/20/1360419320.db2.gz HCVRLJLBQQRUCJ-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001089638978 1360552214 /nfs/dbraw/zinc/55/22/14/1360552214.db2.gz KUZSVQCVKTXKGH-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638978 1360552216 /nfs/dbraw/zinc/55/22/16/1360552216.db2.gz KUZSVQCVKTXKGH-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001089638978 1360552218 /nfs/dbraw/zinc/55/22/18/1360552218.db2.gz KUZSVQCVKTXKGH-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687375 1360593619 /nfs/dbraw/zinc/59/36/19/1360593619.db2.gz JCJRIAKKYOMEHZ-QGZVFWFLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687375 1360593620 /nfs/dbraw/zinc/59/36/20/1360593620.db2.gz JCJRIAKKYOMEHZ-QGZVFWFLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092907793 1361484217 /nfs/dbraw/zinc/48/42/17/1361484217.db2.gz ZWFFEXCYLCVXDM-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907793 1361484218 /nfs/dbraw/zinc/48/42/18/1361484218.db2.gz ZWFFEXCYLCVXDM-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092907793 1361484219 /nfs/dbraw/zinc/48/42/19/1361484219.db2.gz ZWFFEXCYLCVXDM-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094430147 1361799515 /nfs/dbraw/zinc/79/95/15/1361799515.db2.gz DVLBVNXSLPRDSN-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430147 1361799516 /nfs/dbraw/zinc/79/95/16/1361799516.db2.gz DVLBVNXSLPRDSN-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094430147 1361799518 /nfs/dbraw/zinc/79/95/18/1361799518.db2.gz DVLBVNXSLPRDSN-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171572 1387633711 /nfs/dbraw/zinc/63/37/11/1387633711.db2.gz XFTHFDDZFXMSKO-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001099347741 1363764024 /nfs/dbraw/zinc/76/40/24/1363764024.db2.gz CEPKFUXKJDEQEA-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001099347741 1363764026 /nfs/dbraw/zinc/76/40/26/1363764026.db2.gz CEPKFUXKJDEQEA-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001099347741 1363764030 /nfs/dbraw/zinc/76/40/30/1363764030.db2.gz CEPKFUXKJDEQEA-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185233526 1387657449 /nfs/dbraw/zinc/65/74/49/1387657449.db2.gz BEOJQCHTAONFBK-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468944 1364126286 /nfs/dbraw/zinc/12/62/86/1364126286.db2.gz YQYKNICOEVTKOJ-AOCRQIFASA-N 2 1 349.563 3.479 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101280246 1364497680 /nfs/dbraw/zinc/49/76/80/1364497680.db2.gz KYIZLNDXCUPMIU-SBHAEUEKSA-N 2 1 349.563 3.221 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483519 1365590218 /nfs/dbraw/zinc/59/02/18/1365590218.db2.gz GGYRHBMEEYOQAW-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483519 1365590222 /nfs/dbraw/zinc/59/02/22/1365590222.db2.gz GGYRHBMEEYOQAW-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452762 1366034221 /nfs/dbraw/zinc/03/42/21/1366034221.db2.gz UJTLUHBMGWJSNK-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001104452965 1366034302 /nfs/dbraw/zinc/03/43/02/1366034302.db2.gz XMUYEZZEJKNTIY-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001105556722 1366529154 /nfs/dbraw/zinc/52/91/54/1366529154.db2.gz NVVXXLRDHLKPBT-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001105563714 1366532771 /nfs/dbraw/zinc/53/27/71/1366532771.db2.gz RCWARDSWZYJUCO-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105574530 1366539395 /nfs/dbraw/zinc/53/93/95/1366539395.db2.gz AHJPETZJBQIFRG-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765446 1366792249 /nfs/dbraw/zinc/79/22/49/1366792249.db2.gz BYHLBLZMSFKPAJ-ZIFCJYIRSA-N 2 1 346.519 3.011 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567094 1367047234 /nfs/dbraw/zinc/04/72/34/1367047234.db2.gz JNLGNBJQKUPBBG-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCCCCC)CCC[C@@H]12 ZINC001107582055 1367055874 /nfs/dbraw/zinc/05/58/74/1367055874.db2.gz UHVGYXLZBMEROJ-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107582055 1367055875 /nfs/dbraw/zinc/05/58/75/1367055875.db2.gz UHVGYXLZBMEROJ-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCCCCC)CCC[C@@H]12 ZINC001107582055 1367055877 /nfs/dbraw/zinc/05/58/77/1367055877.db2.gz UHVGYXLZBMEROJ-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614471 1367073916 /nfs/dbraw/zinc/07/39/16/1367073916.db2.gz CGNYXFONVQSXGK-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614471 1367073921 /nfs/dbraw/zinc/07/39/21/1367073921.db2.gz CGNYXFONVQSXGK-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614471 1367073923 /nfs/dbraw/zinc/07/39/23/1367073923.db2.gz CGNYXFONVQSXGK-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107632941 1367085004 /nfs/dbraw/zinc/08/50/04/1367085004.db2.gz GNUWLIBCCGXCCE-TZIWHRDSSA-N 2 1 349.563 3.413 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190443239 1367267874 /nfs/dbraw/zinc/26/78/74/1367267874.db2.gz GUWYYWRZSPLNPI-ZWKOTPCHSA-N 2 1 343.531 3.169 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190484242 1367274830 /nfs/dbraw/zinc/27/48/30/1367274830.db2.gz VOLYREPTGHHXMS-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190484242 1367274832 /nfs/dbraw/zinc/27/48/32/1367274832.db2.gz VOLYREPTGHHXMS-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190484242 1367274837 /nfs/dbraw/zinc/27/48/37/1367274837.db2.gz VOLYREPTGHHXMS-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001190996716 1367398468 /nfs/dbraw/zinc/39/84/68/1367398468.db2.gz IHLVSEGOKIGZKT-KRWDZBQOSA-N 2 1 325.541 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001190996716 1367398472 /nfs/dbraw/zinc/39/84/72/1367398472.db2.gz IHLVSEGOKIGZKT-KRWDZBQOSA-N 2 1 325.541 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001190996716 1367398474 /nfs/dbraw/zinc/39/84/74/1367398474.db2.gz IHLVSEGOKIGZKT-KRWDZBQOSA-N 2 1 325.541 3.220 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108726195 1367560363 /nfs/dbraw/zinc/56/03/63/1367560363.db2.gz UHJXSMJTHUPFNE-OTWHNJEPSA-N 2 1 346.519 3.131 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597759 1367828670 /nfs/dbraw/zinc/82/86/70/1367828670.db2.gz WFWAUVAIRLYJNN-SFHVURJKSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192597759 1367828674 /nfs/dbraw/zinc/82/86/74/1367828674.db2.gz WFWAUVAIRLYJNN-SFHVURJKSA-N 2 1 346.519 3.286 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667990 1367907564 /nfs/dbraw/zinc/90/75/64/1367907564.db2.gz RNTUOKDTKQBXDM-AKHDSKFASA-N 2 1 335.536 3.019 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193560327 1368061628 /nfs/dbraw/zinc/06/16/28/1368061628.db2.gz QOCWJOULRCDSEU-GOSISDBHSA-N 2 1 325.541 3.221 20 30 EGEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001111846712 1368501176 /nfs/dbraw/zinc/50/11/76/1368501176.db2.gz AWHONVJAELIWJG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001111846712 1368501179 /nfs/dbraw/zinc/50/11/79/1368501179.db2.gz AWHONVJAELIWJG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001111846712 1368501184 /nfs/dbraw/zinc/50/11/84/1368501184.db2.gz AWHONVJAELIWJG-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001197396757 1368805343 /nfs/dbraw/zinc/80/53/43/1368805343.db2.gz NCHFPUNMBQBCSM-PMACEKPBSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001197396757 1368805345 /nfs/dbraw/zinc/80/53/45/1368805345.db2.gz NCHFPUNMBQBCSM-PMACEKPBSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001197396757 1368805352 /nfs/dbraw/zinc/80/53/52/1368805352.db2.gz NCHFPUNMBQBCSM-PMACEKPBSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197810167 1368903374 /nfs/dbraw/zinc/90/33/74/1368903374.db2.gz SXAWFBMFQAICNU-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001197810169 1368903389 /nfs/dbraw/zinc/90/33/89/1368903389.db2.gz SXAWFBMFQAICNU-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001112560858 1368927750 /nfs/dbraw/zinc/92/77/50/1368927750.db2.gz TUUQODNVDSVCLI-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252428 1369293362 /nfs/dbraw/zinc/29/33/62/1369293362.db2.gz OLGGTINXJCMAAD-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113355879 1369367086 /nfs/dbraw/zinc/36/70/86/1369367086.db2.gz UWWIGJRBWGHILH-UHFFFAOYSA-N 2 1 325.541 3.079 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577857 1369393184 /nfs/dbraw/zinc/39/31/84/1369393184.db2.gz INAYPHFGZAMZQY-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001201378249 1369531044 /nfs/dbraw/zinc/53/10/44/1369531044.db2.gz GVQJHLSJTHWIEA-UHFFFAOYSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144889 1369700389 /nfs/dbraw/zinc/70/03/89/1369700389.db2.gz MVTYIUNKSSCJIA-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103805 1369984021 /nfs/dbraw/zinc/98/40/21/1369984021.db2.gz MIOVKJYJDWXZLO-MSOLQXFVSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCCC1 ZINC001115592197 1370593762 /nfs/dbraw/zinc/59/37/62/1370593762.db2.gz YGWSFHVLLQIGJN-OALUTQOASA-N 2 1 347.547 3.378 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001115688012 1370671119 /nfs/dbraw/zinc/67/11/19/1370671119.db2.gz GHKAUTWEWUMYOD-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205290855 1370708878 /nfs/dbraw/zinc/70/88/78/1370708878.db2.gz NRUMZVDIRHIUPS-LJQANCHMSA-N 2 1 347.547 3.045 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)CC[C@@H]1C[NH3+] ZINC001205617475 1370812499 /nfs/dbraw/zinc/81/24/99/1370812499.db2.gz KENVZLIQEPEHGC-TZMCWYRMSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006825 1370936118 /nfs/dbraw/zinc/93/61/18/1370936118.db2.gz SLUIBDYZXXUUHU-AZUAARDMSA-N 2 1 349.563 3.291 20 30 EGEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CCCCC1 ZINC001119990092 1371444516 /nfs/dbraw/zinc/44/45/16/1371444516.db2.gz UFZDOKBNYUSNBJ-LJQANCHMSA-N 2 1 347.547 3.073 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120366306 1371550075 /nfs/dbraw/zinc/55/00/75/1371550075.db2.gz YTZYZUXSTCAKCH-MSOLQXFVSA-N 2 1 344.503 3.012 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103541 1371855083 /nfs/dbraw/zinc/85/50/83/1371855083.db2.gz XQFJOEHDMXKQSD-SGPNKGFISA-N 2 1 347.547 3.231 20 30 EGEDMP C[N@H+](C1CCOCC1)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208850819 1371918245 /nfs/dbraw/zinc/91/82/45/1371918245.db2.gz JZXBYXLNJWWGIZ-UHFFFAOYSA-N 2 1 341.499 3.066 20 30 EGEDMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208850819 1371918246 /nfs/dbraw/zinc/91/82/46/1371918246.db2.gz JZXBYXLNJWWGIZ-UHFFFAOYSA-N 2 1 341.499 3.066 20 30 EGEDMP COC1CC[NH+](C2CC[NH+](CCCc3ccc(C#N)cc3)CC2)CC1 ZINC001208864842 1371924899 /nfs/dbraw/zinc/92/48/99/1371924899.db2.gz VZXZDDIQDVYAQS-UHFFFAOYSA-N 2 1 341.499 3.066 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001209425040 1372102522 /nfs/dbraw/zinc/10/25/22/1372102522.db2.gz YTFLDNFBUSFJBB-AABGKKOBSA-N 2 1 345.535 3.198 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001209425040 1372102525 /nfs/dbraw/zinc/10/25/25/1372102525.db2.gz YTFLDNFBUSFJBB-AABGKKOBSA-N 2 1 345.535 3.198 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001209425040 1372102527 /nfs/dbraw/zinc/10/25/27/1372102527.db2.gz YTFLDNFBUSFJBB-AABGKKOBSA-N 2 1 345.535 3.198 20 30 EGEDMP C=CCCCCCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001209440388 1372107579 /nfs/dbraw/zinc/10/75/79/1372107579.db2.gz JKFAMFXOXRQAQZ-GOSISDBHSA-N 2 1 336.520 3.472 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584651 1372385223 /nfs/dbraw/zinc/38/52/23/1372385223.db2.gz JOHIYEGAXQBYLS-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215388423 1373204206 /nfs/dbraw/zinc/20/42/06/1373204206.db2.gz CCRHHCYQSMXHQT-RLLQIKCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001226267160 1375230654 /nfs/dbraw/zinc/23/06/54/1375230654.db2.gz CFKIBXDLXSTETJ-MISYRCLQSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001226766724 1375328643 /nfs/dbraw/zinc/32/86/43/1375328643.db2.gz OCTZBZYRKXFNNW-IPMKNSEASA-N 2 1 335.536 3.233 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001226767206 1375329339 /nfs/dbraw/zinc/32/93/39/1375329339.db2.gz TWHPGRXONHHTOT-GUDVDZBRSA-N 2 1 335.536 3.233 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437161 1375382102 /nfs/dbraw/zinc/38/21/02/1375382102.db2.gz QXLJJZLYDUSYMD-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598508 1376095191 /nfs/dbraw/zinc/09/51/91/1376095191.db2.gz QRRYYSUULWKOFS-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP COc1cc(C#N)ccc1C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001231618472 1376283116 /nfs/dbraw/zinc/28/31/16/1376283116.db2.gz IIEVLESWHHKTKG-UHFFFAOYSA-N 2 1 336.439 3.009 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134790423 1376722840 /nfs/dbraw/zinc/72/28/40/1376722840.db2.gz CGLMNKQVGDZXEN-GJZGRUSLSA-N 2 1 343.943 3.265 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791848 1376725100 /nfs/dbraw/zinc/72/51/00/1376725100.db2.gz WIVARIHLLVZYMK-SJORKVTESA-N 2 1 337.552 3.479 20 30 EGEDMP C=CCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(C)CC[NH+](CC)CC ZINC001276885692 1378192276 /nfs/dbraw/zinc/19/22/76/1378192276.db2.gz QOWIXKGNALRISL-ACDBMABISA-N 2 1 349.563 3.101 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819349 1380137052 /nfs/dbraw/zinc/13/70/52/1380137052.db2.gz XKYNJTCRAOWZPS-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819349 1380137053 /nfs/dbraw/zinc/13/70/53/1380137053.db2.gz XKYNJTCRAOWZPS-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153819349 1380137054 /nfs/dbraw/zinc/13/70/54/1380137054.db2.gz XKYNJTCRAOWZPS-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156318524 1380557548 /nfs/dbraw/zinc/55/75/48/1380557548.db2.gz DIDZLWDDAHBJAI-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318524 1380557549 /nfs/dbraw/zinc/55/75/49/1380557549.db2.gz DIDZLWDDAHBJAI-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318524 1380557552 /nfs/dbraw/zinc/55/75/52/1380557552.db2.gz DIDZLWDDAHBJAI-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157086209 1380772539 /nfs/dbraw/zinc/77/25/39/1380772539.db2.gz IVVVIQUXVJIGED-QGZVFWFLSA-N 2 1 331.504 3.155 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158083105 1381122818 /nfs/dbraw/zinc/12/28/18/1381122818.db2.gz SGYDAJUXNLLJTM-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158083105 1381122820 /nfs/dbraw/zinc/12/28/20/1381122820.db2.gz SGYDAJUXNLLJTM-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158083105 1381122828 /nfs/dbraw/zinc/12/28/28/1381122828.db2.gz SGYDAJUXNLLJTM-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100220 1381127406 /nfs/dbraw/zinc/12/74/06/1381127406.db2.gz YEQASKCJLOWARY-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158445014 1381246763 /nfs/dbraw/zinc/24/67/63/1381246763.db2.gz GPPSPYJPNBTCIS-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001160617792 1382154020 /nfs/dbraw/zinc/15/40/20/1382154020.db2.gz UBKHCSHVFVZQFD-UHFFFAOYSA-N 2 1 338.455 3.053 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160985521 1382261165 /nfs/dbraw/zinc/26/11/65/1382261165.db2.gz FSFRMUUJEKXOJW-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985521 1382261169 /nfs/dbraw/zinc/26/11/69/1382261169.db2.gz FSFRMUUJEKXOJW-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985521 1382261172 /nfs/dbraw/zinc/26/11/72/1382261172.db2.gz FSFRMUUJEKXOJW-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001161683205 1382479859 /nfs/dbraw/zinc/47/98/59/1382479859.db2.gz QVJHVNPBGNOEKF-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683205 1382479861 /nfs/dbraw/zinc/47/98/61/1382479861.db2.gz QVJHVNPBGNOEKF-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001161683205 1382479866 /nfs/dbraw/zinc/47/98/66/1382479866.db2.gz QVJHVNPBGNOEKF-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165895335 1383358901 /nfs/dbraw/zinc/35/89/01/1383358901.db2.gz XYLROCLVFSKSGN-UHFFFAOYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166750694 1383471478 /nfs/dbraw/zinc/47/14/78/1383471478.db2.gz LGNYTWIUULYIEN-UHFFFAOYSA-N 2 1 345.531 3.003 20 30 EGEDMP C[C@H]1CC([NH2+]Cc2ccc(C#N)nc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034905 1383801234 /nfs/dbraw/zinc/80/12/34/1383801234.db2.gz RMSHDYOOZDUYNQ-IRXDYDNUSA-N 2 1 334.467 3.484 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034906 1383801522 /nfs/dbraw/zinc/80/15/22/1383801522.db2.gz RMSHDYOOZDUYNQ-UPHUGPLXSA-N 2 1 334.467 3.484 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034906 1383801527 /nfs/dbraw/zinc/80/15/27/1383801527.db2.gz RMSHDYOOZDUYNQ-UPHUGPLXSA-N 2 1 334.467 3.484 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001171254854 1384479912 /nfs/dbraw/zinc/47/99/12/1384479912.db2.gz VDJIJXGARAWWPM-IAGOWNOFSA-N 2 1 343.943 3.266 20 30 EGEDMP C=C(C)C(=O)OCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065783 1384716828 /nfs/dbraw/zinc/71/68/28/1384716828.db2.gz QQHBSSMGBKQHJK-ACDBMABISA-N 2 1 342.483 3.281 20 30 EGEDMP COc1ccc(C2([NH3+])CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172305480 1384764599 /nfs/dbraw/zinc/76/45/99/1384764599.db2.gz SOLIXVLOKLUFHX-QGZVFWFLSA-N 2 1 349.478 3.448 20 30 EGEDMP CCCCCCCC[C@@H](CC)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172504105 1384806567 /nfs/dbraw/zinc/80/65/67/1384806567.db2.gz VBXXKMSZIQAUJE-GOSISDBHSA-N 2 1 325.541 3.269 20 30 EGEDMP CC[NH+](CC)C1CCC([NH+]2CC(Oc3ccccc3C#N)C2)CC1 ZINC001173117481 1384918772 /nfs/dbraw/zinc/91/87/72/1384918772.db2.gz NKLOPRUHVRYISH-UHFFFAOYSA-N 2 1 327.472 3.274 20 30 EGEDMP C=CCOC1CCC([NH+]2CCC3(CCn4c(C)c[nH+]c43)CC2)CC1 ZINC001173322074 1384958332 /nfs/dbraw/zinc/95/83/32/1384958332.db2.gz YHBKPPKMZGHFQS-UHFFFAOYSA-N 2 1 329.488 3.443 20 30 EGEDMP CC1(C#N)CCC([N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)CC1 ZINC001173594409 1384984185 /nfs/dbraw/zinc/98/41/85/1384984185.db2.gz BZDXYOKZLORFDE-QAJIEZEQSA-N 2 1 338.499 3.308 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001174880824 1385164132 /nfs/dbraw/zinc/16/41/32/1385164132.db2.gz HRPJJHIDKXXWDF-IRXDYDNUSA-N 2 1 343.943 3.126 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001176111789 1385486884 /nfs/dbraw/zinc/48/68/84/1385486884.db2.gz JZOFAMWMTKJNAD-OALUTQOASA-N 2 1 337.552 3.482 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176565400 1385626673 /nfs/dbraw/zinc/62/66/73/1385626673.db2.gz UYEYNZZWLQQIRE-ROUUACIJSA-N 2 1 325.541 3.173 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177416117 1385949910 /nfs/dbraw/zinc/94/99/10/1385949910.db2.gz UZLTZYGCASFPRA-UYAOXDASSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177478095 1385972249 /nfs/dbraw/zinc/97/22/49/1385972249.db2.gz RXZVGYOITLKOIZ-ICSRJNTNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001179587188 1386523995 /nfs/dbraw/zinc/52/39/95/1386523995.db2.gz XGFFIRBAGFRANN-RTBURBONSA-N 2 1 337.552 3.197 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714191 1386561803 /nfs/dbraw/zinc/56/18/03/1386561803.db2.gz JXNSTENOUWBASI-UHFFFAOYSA-N 2 1 340.899 3.025 20 30 EGEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001180039771 1386676921 /nfs/dbraw/zinc/67/69/21/1386676921.db2.gz LKOFDKAUAACWJA-LJQANCHMSA-N 2 1 331.504 3.132 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001180375437 1386778628 /nfs/dbraw/zinc/77/86/28/1386778628.db2.gz DLJPTWWZKQLZLU-LJQANCHMSA-N 2 1 331.504 3.132 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623119 1387198262 /nfs/dbraw/zinc/19/82/62/1387198262.db2.gz CAIZWSOFEQKZSW-DBXWQHBBSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001717340706 1421278090 /nfs/dbraw/zinc/27/80/90/1421278090.db2.gz AWULNAAESXJICY-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001733800188 1430066827 /nfs/dbraw/zinc/06/68/27/1430066827.db2.gz BFILNHHIIHBBTI-GOSISDBHSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001752433342 1440179295 /nfs/dbraw/zinc/17/92/95/1440179295.db2.gz GWTVVVBQHGMLEM-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001753040535 1440276194 /nfs/dbraw/zinc/27/61/94/1440276194.db2.gz ZPFVOTJPHZNKTJ-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001753872885 1440517905 /nfs/dbraw/zinc/51/79/05/1440517905.db2.gz PJGKTKWXQKZSKN-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001753872885 1440517906 /nfs/dbraw/zinc/51/79/06/1440517906.db2.gz PJGKTKWXQKZSKN-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001753872885 1440517907 /nfs/dbraw/zinc/51/79/07/1440517907.db2.gz PJGKTKWXQKZSKN-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001754543562 1440626645 /nfs/dbraw/zinc/62/66/45/1440626645.db2.gz KYLLZDHCNJBJJK-MOPGFXCFSA-N 2 1 347.547 3.118 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001754575999 1440637694 /nfs/dbraw/zinc/63/76/94/1440637694.db2.gz WCTZEZQVYFOVLV-UHFFFAOYSA-N 2 1 337.552 3.364 20 30 EGEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001754651549 1440652067 /nfs/dbraw/zinc/65/20/67/1440652067.db2.gz VAYXSDUGCRJORO-PMACEKPBSA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001754722024 1440673586 /nfs/dbraw/zinc/67/35/86/1440673586.db2.gz JFAVWGCWLJXJFN-GOSISDBHSA-N 2 1 337.552 3.127 20 30 EGEDMP C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001754946698 1440713610 /nfs/dbraw/zinc/71/36/10/1440713610.db2.gz SOEBKJZNIPDGFD-UHFFFAOYSA-N 2 1 343.515 3.043 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001754947138 1440713687 /nfs/dbraw/zinc/71/36/87/1440713687.db2.gz GLUPFGQWHSLXNQ-KRWDZBQOSA-N 2 1 340.471 3.125 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001755142629 1440761502 /nfs/dbraw/zinc/76/15/02/1440761502.db2.gz SVDWHEMIFFTATE-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001755193130 1440775620 /nfs/dbraw/zinc/77/56/20/1440775620.db2.gz SDOQJQMHLRTRHM-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755193130 1440775621 /nfs/dbraw/zinc/77/56/21/1440775621.db2.gz SDOQJQMHLRTRHM-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755193130 1440775622 /nfs/dbraw/zinc/77/56/22/1440775622.db2.gz SDOQJQMHLRTRHM-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001755198252 1440778085 /nfs/dbraw/zinc/77/80/85/1440778085.db2.gz WUAXTKRJQQGTNO-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755198252 1440778086 /nfs/dbraw/zinc/77/80/86/1440778086.db2.gz WUAXTKRJQQGTNO-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001755198252 1440778087 /nfs/dbraw/zinc/77/80/87/1440778087.db2.gz WUAXTKRJQQGTNO-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001755365400 1440833992 /nfs/dbraw/zinc/83/39/92/1440833992.db2.gz FCGUFHBPQFXDND-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001755530928 1440867303 /nfs/dbraw/zinc/86/73/03/1440867303.db2.gz UYMZYNABBGVQNU-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001755530928 1440867304 /nfs/dbraw/zinc/86/73/04/1440867304.db2.gz UYMZYNABBGVQNU-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001755530928 1440867305 /nfs/dbraw/zinc/86/73/05/1440867305.db2.gz UYMZYNABBGVQNU-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001755843936 1440932513 /nfs/dbraw/zinc/93/25/13/1440932513.db2.gz AYEYPOAROBORHC-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093769478 162025621 /nfs/dbraw/zinc/02/56/21/162025621.db2.gz QHYQPNLQXOTCGO-UHFFFAOYSA-N 2 1 335.517 3.190 20 30 EGEDMP N#Cc1csc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000177696043 323344160 /nfs/dbraw/zinc/34/41/60/323344160.db2.gz QVYDMCOCEMTLEQ-QGZVFWFLSA-N 2 1 325.481 3.274 20 30 EGEDMP N#Cc1csc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000177696043 323344166 /nfs/dbraw/zinc/34/41/66/323344166.db2.gz QVYDMCOCEMTLEQ-QGZVFWFLSA-N 2 1 325.481 3.274 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(F)cc2)CC1 ZINC000152948024 454745427 /nfs/dbraw/zinc/74/54/27/454745427.db2.gz XNPSGBPKKKDHGQ-HNNXBMFYSA-N 2 1 333.451 3.173 20 30 EGEDMP C=CCC[C@@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156940598 455158272 /nfs/dbraw/zinc/15/82/72/455158272.db2.gz CDEYGBZUHSEGOG-VQTJNVASSA-N 2 1 343.515 3.218 20 30 EGEDMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(C#N)cc1 ZINC000278251479 455798499 /nfs/dbraw/zinc/79/84/99/455798499.db2.gz MNDRDSLPWLYAAC-HXUWFJFHSA-N 2 1 328.504 3.017 20 30 EGEDMP C=CCOc1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000294032707 455803971 /nfs/dbraw/zinc/80/39/71/455803971.db2.gz OJRZETGHVALDBO-YOFSQIOKSA-N 2 1 344.499 3.325 20 30 EGEDMP C=CCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000294032707 455803978 /nfs/dbraw/zinc/80/39/78/455803978.db2.gz OJRZETGHVALDBO-YOFSQIOKSA-N 2 1 344.499 3.325 20 30 EGEDMP C=CCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)c1 ZINC000294032707 455803991 /nfs/dbraw/zinc/80/39/91/455803991.db2.gz OJRZETGHVALDBO-YOFSQIOKSA-N 2 1 344.499 3.325 20 30 EGEDMP C[C@H]([NH2+]CCCC1(C#N)CCOCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337201072 456337697 /nfs/dbraw/zinc/33/76/97/456337697.db2.gz FPMWJMTUXDCFDF-ROUUACIJSA-N 2 1 333.520 3.330 20 30 EGEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(C#N)c3F)CC2)C[C@H](C)O1 ZINC000352886258 456390286 /nfs/dbraw/zinc/39/02/86/456390286.db2.gz GIAPMXPKSBKXMR-IYBDPMFKSA-N 2 1 345.462 3.019 20 30 EGEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(C#N)c3F)CC2)C[C@H](C)O1 ZINC000352886258 456390292 /nfs/dbraw/zinc/39/02/92/456390292.db2.gz GIAPMXPKSBKXMR-IYBDPMFKSA-N 2 1 345.462 3.019 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000303063023 456443652 /nfs/dbraw/zinc/44/36/52/456443652.db2.gz YVKCJDOWYNRIPI-HXUWFJFHSA-N 2 1 341.499 3.381 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000303063023 456443658 /nfs/dbraw/zinc/44/36/58/456443658.db2.gz YVKCJDOWYNRIPI-HXUWFJFHSA-N 2 1 341.499 3.381 20 30 EGEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000374200423 457519336 /nfs/dbraw/zinc/51/93/36/457519336.db2.gz PKMAGCLUJVFFGS-UHFFFAOYSA-N 2 1 340.515 3.191 20 30 EGEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC000358143362 457812904 /nfs/dbraw/zinc/81/29/04/457812904.db2.gz SVRCJVQESMFKCI-ZTRSQXPZSA-N 2 1 327.472 3.321 20 30 EGEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000358143362 457812910 /nfs/dbraw/zinc/81/29/10/457812910.db2.gz SVRCJVQESMFKCI-ZTRSQXPZSA-N 2 1 327.472 3.321 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512617775 458787519 /nfs/dbraw/zinc/78/75/19/458787519.db2.gz GRXHBZJGMFUGDM-UWHLTILDSA-N 2 1 328.500 3.061 20 30 EGEDMP C=CCCCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000488164519 459539423 /nfs/dbraw/zinc/53/94/23/459539423.db2.gz QQMGMHWOOFGVBR-KDURUIRLSA-N 2 1 338.536 3.323 20 30 EGEDMP C=CCCCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000488164519 459539427 /nfs/dbraw/zinc/53/94/27/459539427.db2.gz QQMGMHWOOFGVBR-KDURUIRLSA-N 2 1 338.536 3.323 20 30 EGEDMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000602578096 460005676 /nfs/dbraw/zinc/00/56/76/460005676.db2.gz YYKHBJARVBYXLC-HKUYNNGSSA-N 2 1 334.467 3.344 20 30 EGEDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598721542 460005978 /nfs/dbraw/zinc/00/59/78/460005978.db2.gz VJLQNVOGWGVXPB-APWZRJJASA-N 2 1 329.488 3.102 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602688354 460066526 /nfs/dbraw/zinc/06/65/26/460066526.db2.gz AZMVMMIEASOVNT-DFQSSKMNSA-N 2 1 329.488 3.053 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602688354 460066529 /nfs/dbraw/zinc/06/65/29/460066529.db2.gz AZMVMMIEASOVNT-DFQSSKMNSA-N 2 1 329.488 3.053 20 30 EGEDMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2C1 ZINC000594437217 460220468 /nfs/dbraw/zinc/22/04/68/460220468.db2.gz JHAPSPPYHYTKQV-GOSISDBHSA-N 2 1 342.487 3.398 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000623430371 460544933 /nfs/dbraw/zinc/54/49/33/460544933.db2.gz MQOJARRUTFDAHZ-HIFRSBDPSA-N 2 1 338.879 3.486 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000623430371 460544941 /nfs/dbraw/zinc/54/49/41/460544941.db2.gz MQOJARRUTFDAHZ-HIFRSBDPSA-N 2 1 338.879 3.486 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000623430370 460545201 /nfs/dbraw/zinc/54/52/01/460545201.db2.gz MQOJARRUTFDAHZ-DZGCQCFKSA-N 2 1 338.879 3.486 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000623430370 460545208 /nfs/dbraw/zinc/54/52/08/460545208.db2.gz MQOJARRUTFDAHZ-DZGCQCFKSA-N 2 1 338.879 3.486 20 30 EGEDMP N#CCC[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000601964625 460964293 /nfs/dbraw/zinc/96/42/93/460964293.db2.gz JMZZYTMMHCEQML-FGZHOGPDSA-N 2 1 349.478 3.258 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000662293378 461170443 /nfs/dbraw/zinc/17/04/43/461170443.db2.gz RAJBAXGHCGDNKP-LJQANCHMSA-N 2 1 343.515 3.185 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)c(O)c(OC)c1 ZINC000164424882 1294348038 /nfs/dbraw/zinc/34/80/38/1294348038.db2.gz HMQVTRIKJZQCDW-QGZVFWFLSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)c(O)c(OC)c1 ZINC000164424882 1294348043 /nfs/dbraw/zinc/34/80/43/1294348043.db2.gz HMQVTRIKJZQCDW-QGZVFWFLSA-N 2 1 332.488 3.293 20 30 EGEDMP C#CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183099946 1295098067 /nfs/dbraw/zinc/09/80/67/1295098067.db2.gz UBMGXVIJOWRHIC-PKOBYXMFSA-N 2 1 326.484 3.441 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000195290743 1296055164 /nfs/dbraw/zinc/05/51/64/1296055164.db2.gz UXWNPQAZRIBESH-LJQANCHMSA-N 2 1 336.483 3.498 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000237204790 1296227997 /nfs/dbraw/zinc/22/79/97/1296227997.db2.gz SSPONIFPEPBSQJ-JOCHJYFZSA-N 2 1 348.494 3.027 20 30 EGEDMP CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303784438 1296854618 /nfs/dbraw/zinc/85/46/18/1296854618.db2.gz PBSNYVBIBOSZFH-APWZRJJASA-N 2 1 346.519 3.284 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000303885205 1296867161 /nfs/dbraw/zinc/86/71/61/1296867161.db2.gz JNQVKIYBZBKITO-JKSUJKDBSA-N 2 1 332.492 3.321 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(O)c(OC)c1 ZINC000755782057 1300397219 /nfs/dbraw/zinc/39/72/19/1300397219.db2.gz XOLOTEWMAKXPNT-SFHVURJKSA-N 2 1 344.499 3.293 20 30 EGEDMP C#CCCOc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000798956861 1310463117 /nfs/dbraw/zinc/46/31/17/1310463117.db2.gz FBAJEIHVCOTEDQ-UHFFFAOYSA-N 2 1 326.484 3.397 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762517 1319908186 /nfs/dbraw/zinc/90/81/86/1319908186.db2.gz YNEYRPZWJYZWPY-IBGZPJMESA-N 2 1 343.515 3.156 20 30 EGEDMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OCC#N)cc1 ZINC000853240671 1325070440 /nfs/dbraw/zinc/07/04/40/1325070440.db2.gz QMVROXWHDSWKRO-SJLPKXTDSA-N 2 1 327.472 3.362 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948569930 1333580132 /nfs/dbraw/zinc/58/01/32/1333580132.db2.gz GEDRUUGSRXEONB-QGZVFWFLSA-N 2 1 340.471 3.145 20 30 EGEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000969158941 1336166722 /nfs/dbraw/zinc/16/67/22/1336166722.db2.gz XPJYJFPSECVXJF-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001006434786 1336505471 /nfs/dbraw/zinc/50/54/71/1336505471.db2.gz MAAQOMCXQUJDBP-UHFFFAOYSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034251456 1342347699 /nfs/dbraw/zinc/34/76/99/1342347699.db2.gz ZIMAZISFGNQGBH-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034251456 1342347704 /nfs/dbraw/zinc/34/77/04/1342347704.db2.gz ZIMAZISFGNQGBH-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034251456 1342347707 /nfs/dbraw/zinc/34/77/07/1342347707.db2.gz ZIMAZISFGNQGBH-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034290206 1342376427 /nfs/dbraw/zinc/37/64/27/1342376427.db2.gz YSCWJMZDRLGQTA-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034290206 1342376432 /nfs/dbraw/zinc/37/64/32/1342376432.db2.gz YSCWJMZDRLGQTA-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034290206 1342376435 /nfs/dbraw/zinc/37/64/35/1342376435.db2.gz YSCWJMZDRLGQTA-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360362 1342431912 /nfs/dbraw/zinc/43/19/12/1342431912.db2.gz HWPIFGSKZQAXLI-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360362 1342431916 /nfs/dbraw/zinc/43/19/16/1342431916.db2.gz HWPIFGSKZQAXLI-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360362 1342431918 /nfs/dbraw/zinc/43/19/18/1342431918.db2.gz HWPIFGSKZQAXLI-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034437073 1342499408 /nfs/dbraw/zinc/49/94/08/1342499408.db2.gz DMNGFUKQCWNEQW-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437073 1342499411 /nfs/dbraw/zinc/49/94/11/1342499411.db2.gz DMNGFUKQCWNEQW-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437073 1342499414 /nfs/dbraw/zinc/49/94/14/1342499414.db2.gz DMNGFUKQCWNEQW-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034662085 1342676523 /nfs/dbraw/zinc/67/65/23/1342676523.db2.gz CIGGIMZWKFFCLQ-BRWVUGGUSA-N 2 1 341.927 3.019 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036716919 1343649254 /nfs/dbraw/zinc/64/92/54/1343649254.db2.gz NQWBVFLZRZSMAE-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444728 1345070385 /nfs/dbraw/zinc/07/03/85/1345070385.db2.gz PRDXDMHOKGYFSN-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039444728 1345070389 /nfs/dbraw/zinc/07/03/89/1345070389.db2.gz PRDXDMHOKGYFSN-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545601 1345539785 /nfs/dbraw/zinc/53/97/85/1345539785.db2.gz RRZRAYSPZLVQDO-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545601 1345539786 /nfs/dbraw/zinc/53/97/86/1345539786.db2.gz RRZRAYSPZLVQDO-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545601 1345539789 /nfs/dbraw/zinc/53/97/89/1345539789.db2.gz RRZRAYSPZLVQDO-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088536 1348914243 /nfs/dbraw/zinc/91/42/43/1348914243.db2.gz XCZHXPWDEZPHRE-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088536 1348914246 /nfs/dbraw/zinc/91/42/46/1348914246.db2.gz XCZHXPWDEZPHRE-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088536 1348914247 /nfs/dbraw/zinc/91/42/47/1348914247.db2.gz XCZHXPWDEZPHRE-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270693 1349270229 /nfs/dbraw/zinc/27/02/29/1349270229.db2.gz XNYNVSNJDHEHRJ-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270693 1349270231 /nfs/dbraw/zinc/27/02/31/1349270231.db2.gz XNYNVSNJDHEHRJ-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2C1 ZINC001054270693 1349270236 /nfs/dbraw/zinc/27/02/36/1349270236.db2.gz XNYNVSNJDHEHRJ-HXUWFJFHSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001183082236 1387259665 /nfs/dbraw/zinc/25/96/65/1387259665.db2.gz PMNKQQABECBJKL-UYAOXDASSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071546369 1354758791 /nfs/dbraw/zinc/75/87/91/1354758791.db2.gz KSXYCTKXUGLNSL-RDJZCZTQSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071546369 1354758792 /nfs/dbraw/zinc/75/87/92/1354758792.db2.gz KSXYCTKXUGLNSL-RDJZCZTQSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071958182 1355042841 /nfs/dbraw/zinc/04/28/41/1355042841.db2.gz VCEXVHBCXLOEOF-PKOBYXMFSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072095510 1355126668 /nfs/dbraw/zinc/12/66/68/1355126668.db2.gz JNFUCSJJNPNTMB-YLJYHZDGSA-N 2 1 343.515 3.297 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183869552 1387363933 /nfs/dbraw/zinc/36/39/33/1387363933.db2.gz WFMDGDHXANBDRF-MOPGFXCFSA-N 2 1 337.552 3.268 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086850069 1359213514 /nfs/dbraw/zinc/21/35/14/1359213514.db2.gz OPYAIZRQYNQGAJ-OTWHNJEPSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367247 1359851599 /nfs/dbraw/zinc/85/15/99/1359851599.db2.gz FWNJTWZRGUHKSG-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400815 1360400722 /nfs/dbraw/zinc/40/07/22/1360400722.db2.gz LIJOJWDFVDPLEW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400815 1360400723 /nfs/dbraw/zinc/40/07/23/1360400723.db2.gz LIJOJWDFVDPLEW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400815 1360400727 /nfs/dbraw/zinc/40/07/27/1360400727.db2.gz LIJOJWDFVDPLEW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419825 1360413714 /nfs/dbraw/zinc/41/37/14/1360413714.db2.gz IOMOMKUBCBWPEI-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419825 1360413715 /nfs/dbraw/zinc/41/37/15/1360413715.db2.gz IOMOMKUBCBWPEI-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419825 1360413716 /nfs/dbraw/zinc/41/37/16/1360413716.db2.gz IOMOMKUBCBWPEI-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565230 1360512077 /nfs/dbraw/zinc/51/20/77/1360512077.db2.gz QAZDEYMZPSMYGD-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565230 1360512079 /nfs/dbraw/zinc/51/20/79/1360512079.db2.gz QAZDEYMZPSMYGD-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565230 1360512080 /nfs/dbraw/zinc/51/20/80/1360512080.db2.gz QAZDEYMZPSMYGD-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001089649503 1360563014 /nfs/dbraw/zinc/56/30/14/1360563014.db2.gz KLCGBSIFZWVUGJ-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649503 1360563017 /nfs/dbraw/zinc/56/30/17/1360563017.db2.gz KLCGBSIFZWVUGJ-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001089649503 1360563022 /nfs/dbraw/zinc/56/30/22/1360563022.db2.gz KLCGBSIFZWVUGJ-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875101 1363501505 /nfs/dbraw/zinc/50/15/05/1363501505.db2.gz MTVVBDWAHUPQFJ-ZJOUEHCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875101 1363501506 /nfs/dbraw/zinc/50/15/06/1363501506.db2.gz MTVVBDWAHUPQFJ-ZJOUEHCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875101 1363501508 /nfs/dbraw/zinc/50/15/08/1363501508.db2.gz MTVVBDWAHUPQFJ-ZJOUEHCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116498 1363633394 /nfs/dbraw/zinc/63/33/94/1363633394.db2.gz SDWATTHTWQPCPH-MSOLQXFVSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099214184 1363695159 /nfs/dbraw/zinc/69/51/59/1363695159.db2.gz HTPMRNCBWACCSJ-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099239393 1363708613 /nfs/dbraw/zinc/70/86/13/1363708613.db2.gz CTJHYTMIOAWALF-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099239393 1363708619 /nfs/dbraw/zinc/70/86/19/1363708619.db2.gz CTJHYTMIOAWALF-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099239393 1363708624 /nfs/dbraw/zinc/70/86/24/1363708624.db2.gz CTJHYTMIOAWALF-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099371819 1363777475 /nfs/dbraw/zinc/77/74/75/1363777475.db2.gz JKKOYLJUMIRRJY-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368614 1364530412 /nfs/dbraw/zinc/53/04/12/1364530412.db2.gz DLCCIUKQBLIYIR-UEXGIBASSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368614 1364530415 /nfs/dbraw/zinc/53/04/15/1364530415.db2.gz DLCCIUKQBLIYIR-UEXGIBASSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368614 1364530417 /nfs/dbraw/zinc/53/04/17/1364530417.db2.gz DLCCIUKQBLIYIR-UEXGIBASSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396602 1364544493 /nfs/dbraw/zinc/54/44/93/1364544493.db2.gz BEMCHOXNQSSUPM-SBHAEUEKSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601489 1365131703 /nfs/dbraw/zinc/13/17/03/1365131703.db2.gz FTNFBCXMOVFPGD-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544268 1365624935 /nfs/dbraw/zinc/62/49/35/1365624935.db2.gz IQBJAGHPFQKXMD-QRVBRYPASA-N 2 1 337.552 3.003 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185683013 1387776690 /nfs/dbraw/zinc/77/66/90/1387776690.db2.gz VRSFABWPCSHTTH-HKUYNNGSSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)CCC)CCC1 ZINC001105574999 1366539837 /nfs/dbraw/zinc/53/98/37/1366539837.db2.gz OMOQPTNVSVRHDW-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001109371560 1367091290 /nfs/dbraw/zinc/09/12/90/1367091290.db2.gz JTQCMDUMCCPKCO-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001109371560 1367091295 /nfs/dbraw/zinc/09/12/95/1367091295.db2.gz JTQCMDUMCCPKCO-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001109371560 1367091299 /nfs/dbraw/zinc/09/12/99/1367091299.db2.gz JTQCMDUMCCPKCO-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084047 1367169095 /nfs/dbraw/zinc/16/90/95/1367169095.db2.gz JSZQEXGYEZFKCD-MOPGFXCFSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084047 1367169101 /nfs/dbraw/zinc/16/91/01/1367169101.db2.gz JSZQEXGYEZFKCD-MOPGFXCFSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084047 1367169105 /nfs/dbraw/zinc/16/91/05/1367169105.db2.gz JSZQEXGYEZFKCD-MOPGFXCFSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744553 1367341199 /nfs/dbraw/zinc/34/11/99/1367341199.db2.gz RNDGKSIULBCCAF-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190744553 1367341203 /nfs/dbraw/zinc/34/12/03/1367341203.db2.gz RNDGKSIULBCCAF-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190744553 1367341205 /nfs/dbraw/zinc/34/12/05/1367341205.db2.gz RNDGKSIULBCCAF-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163187 1367436780 /nfs/dbraw/zinc/43/67/80/1367436780.db2.gz TWVQTBHGEBCDRZ-GOSISDBHSA-N 2 1 340.471 3.227 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542242 1367524430 /nfs/dbraw/zinc/52/44/30/1367524430.db2.gz FPENVLPJFJKMRG-PMACEKPBSA-N 2 1 349.563 3.364 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578365 1367845985 /nfs/dbraw/zinc/84/59/85/1367845985.db2.gz DCANWPDWTBTPGD-TVFCKZIOSA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578365 1367845987 /nfs/dbraw/zinc/84/59/87/1367845987.db2.gz DCANWPDWTBTPGD-TVFCKZIOSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765601 1367967471 /nfs/dbraw/zinc/96/74/71/1367967471.db2.gz IAQVJBHOYQXGIA-QRVBRYPASA-N 2 1 345.531 3.083 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193374907 1368015726 /nfs/dbraw/zinc/01/57/26/1368015726.db2.gz ZRTQUEMTULGYNK-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193374907 1368015729 /nfs/dbraw/zinc/01/57/29/1368015729.db2.gz ZRTQUEMTULGYNK-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193374907 1368015733 /nfs/dbraw/zinc/01/57/33/1368015733.db2.gz ZRTQUEMTULGYNK-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001193389732 1368016869 /nfs/dbraw/zinc/01/68/69/1368016869.db2.gz HEQHYWDYCDCKSU-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389732 1368016874 /nfs/dbraw/zinc/01/68/74/1368016874.db2.gz HEQHYWDYCDCKSU-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001193389732 1368016876 /nfs/dbraw/zinc/01/68/76/1368016876.db2.gz HEQHYWDYCDCKSU-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111100878 1368158403 /nfs/dbraw/zinc/15/84/03/1368158403.db2.gz CFWVRDQWRCMKQW-KURKYZTESA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001111100878 1368158405 /nfs/dbraw/zinc/15/84/05/1368158405.db2.gz CFWVRDQWRCMKQW-KURKYZTESA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111860000 1368510877 /nfs/dbraw/zinc/51/08/77/1368510877.db2.gz LLGPQXBMHNIFKR-FPOVZHCZSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001111870701 1368518612 /nfs/dbraw/zinc/51/86/12/1368518612.db2.gz KGCDLGYJXYIPJF-ZJOUEHCJSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001111870701 1368518616 /nfs/dbraw/zinc/51/86/16/1368518616.db2.gz KGCDLGYJXYIPJF-ZJOUEHCJSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001111870701 1368518619 /nfs/dbraw/zinc/51/86/19/1368518619.db2.gz KGCDLGYJXYIPJF-ZJOUEHCJSA-N 2 1 349.563 3.269 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001111914609 1368556041 /nfs/dbraw/zinc/55/60/41/1368556041.db2.gz CWWRHHMSMXYBMV-DYXWJJEUSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197801789 1368901691 /nfs/dbraw/zinc/90/16/91/1368901691.db2.gz DAJHBQKQKYTYSF-HXUWFJFHSA-N 2 1 343.515 3.180 20 30 EGEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197801789 1368901694 /nfs/dbraw/zinc/90/16/94/1368901694.db2.gz DAJHBQKQKYTYSF-HXUWFJFHSA-N 2 1 343.515 3.180 20 30 EGEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801789 1368901696 /nfs/dbraw/zinc/90/16/96/1368901696.db2.gz DAJHBQKQKYTYSF-HXUWFJFHSA-N 2 1 343.515 3.180 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801789 1368901699 /nfs/dbraw/zinc/90/16/99/1368901699.db2.gz DAJHBQKQKYTYSF-HXUWFJFHSA-N 2 1 343.515 3.180 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001200894735 1369445228 /nfs/dbraw/zinc/44/52/28/1369445228.db2.gz WZLZUCWKUFQXJG-LJQANCHMSA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCCC[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001201813959 1369628183 /nfs/dbraw/zinc/62/81/83/1369628183.db2.gz LQOUJLCKEPCLDW-RTBURBONSA-N 2 1 326.525 3.016 20 30 EGEDMP CCCCCCCC[NH+]1CC[C@@H]2C[N@H+](CCOC)CCO[C@@H]2C1 ZINC001201813959 1369628185 /nfs/dbraw/zinc/62/81/85/1369628185.db2.gz LQOUJLCKEPCLDW-RTBURBONSA-N 2 1 326.525 3.016 20 30 EGEDMP CCCCCCCC[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001201813959 1369628189 /nfs/dbraw/zinc/62/81/89/1369628189.db2.gz LQOUJLCKEPCLDW-RTBURBONSA-N 2 1 326.525 3.016 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCCCCC ZINC001114984294 1370191971 /nfs/dbraw/zinc/19/19/71/1370191971.db2.gz CGDWXMQBNIHWSB-KXTWHKPSSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114984294 1370191972 /nfs/dbraw/zinc/19/19/72/1370191972.db2.gz CGDWXMQBNIHWSB-KXTWHKPSSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114984294 1370191973 /nfs/dbraw/zinc/19/19/73/1370191973.db2.gz CGDWXMQBNIHWSB-KXTWHKPSSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001203902642 1370308054 /nfs/dbraw/zinc/30/80/54/1370308054.db2.gz HJIJLTMBVLGLBL-IBGZPJMESA-N 2 1 337.552 3.412 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563415 1370562761 /nfs/dbraw/zinc/56/27/61/1370562761.db2.gz UDHLHEBFBRIBMV-SFHVURJKSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115753895 1370735271 /nfs/dbraw/zinc/73/52/71/1370735271.db2.gz FNOBLGRDNYNVHW-UHFFFAOYSA-N 2 1 346.519 3.381 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001115806041 1370789679 /nfs/dbraw/zinc/78/96/79/1370789679.db2.gz NFZMILGQFKPEBT-UHFFFAOYSA-N 2 1 337.552 3.483 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001205586143 1370800845 /nfs/dbraw/zinc/80/08/45/1370800845.db2.gz NUEIUZNEOUAOQR-UHFFFAOYSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001205762639 1370863873 /nfs/dbraw/zinc/86/38/73/1370863873.db2.gz LCBKRBFTTWFMRC-UHFFFAOYSA-N 2 1 335.536 3.045 20 30 EGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC001206311204 1371017385 /nfs/dbraw/zinc/01/73/85/1371017385.db2.gz LAUCYLJHIKEHCM-INIZCTEOSA-N 2 1 336.277 3.272 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207795944 1371506374 /nfs/dbraw/zinc/50/63/74/1371506374.db2.gz PHRZINNFOLNKPT-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207795944 1371506378 /nfs/dbraw/zinc/50/63/78/1371506378.db2.gz PHRZINNFOLNKPT-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001207795944 1371506383 /nfs/dbraw/zinc/50/63/83/1371506383.db2.gz PHRZINNFOLNKPT-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001120429787 1371573390 /nfs/dbraw/zinc/57/33/90/1371573390.db2.gz BDTOIRWSLXBSEP-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001120429787 1371573394 /nfs/dbraw/zinc/57/33/94/1371573394.db2.gz BDTOIRWSLXBSEP-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001120429787 1371573396 /nfs/dbraw/zinc/57/33/96/1371573396.db2.gz BDTOIRWSLXBSEP-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073746 1371588602 /nfs/dbraw/zinc/58/86/02/1371588602.db2.gz OBWPJGLQHBHTRQ-GBESFXJTSA-N 2 1 335.536 3.044 20 30 EGEDMP N#Cc1ccc2c(c1)CC[N@@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940801 1371955991 /nfs/dbraw/zinc/95/59/91/1371955991.db2.gz GUFRVDYCVLTDER-FQEVSTJZSA-N 2 1 331.463 3.438 20 30 EGEDMP N#Cc1ccc2c(c1)CC[N@H+](C[C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC001208940801 1371955995 /nfs/dbraw/zinc/95/59/95/1371955995.db2.gz GUFRVDYCVLTDER-FQEVSTJZSA-N 2 1 331.463 3.438 20 30 EGEDMP N#Cc1ccc2c(c1)CC[NH+](C[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC001208940801 1371955999 /nfs/dbraw/zinc/95/59/99/1371955999.db2.gz GUFRVDYCVLTDER-FQEVSTJZSA-N 2 1 331.463 3.438 20 30 EGEDMP N#Cc1ccc2c(c1)CC[NH+](C[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC001208940801 1371956003 /nfs/dbraw/zinc/95/60/03/1371956003.db2.gz GUFRVDYCVLTDER-FQEVSTJZSA-N 2 1 331.463 3.438 20 30 EGEDMP C=CCCC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC001209158949 1372019402 /nfs/dbraw/zinc/01/94/02/1372019402.db2.gz XDCAWWWTFGHBOG-QGZVFWFLSA-N 2 1 349.544 3.412 20 30 EGEDMP C=CCCCCC[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001209424337 1372102985 /nfs/dbraw/zinc/10/29/85/1372102985.db2.gz PSIPEHABKKQVRH-UHFFFAOYSA-N 2 1 346.519 3.036 20 30 EGEDMP C=CCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001209424337 1372102988 /nfs/dbraw/zinc/10/29/88/1372102988.db2.gz PSIPEHABKKQVRH-UHFFFAOYSA-N 2 1 346.519 3.036 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001209424337 1372102993 /nfs/dbraw/zinc/10/29/93/1372102993.db2.gz PSIPEHABKKQVRH-UHFFFAOYSA-N 2 1 346.519 3.036 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210433592 1372352819 /nfs/dbraw/zinc/35/28/19/1372352819.db2.gz TZWXSANOKZLNAD-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211309390 1372526184 /nfs/dbraw/zinc/52/61/84/1372526184.db2.gz CRLPAQJCQILVPM-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001211429617 1372557181 /nfs/dbraw/zinc/55/71/81/1372557181.db2.gz WBBGEMMZMGEJOU-SJLPKXTDSA-N 2 1 347.503 3.138 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622463 1373571857 /nfs/dbraw/zinc/57/18/57/1373571857.db2.gz JUYCAEUOTZBEHQ-UHFFFAOYSA-N 2 1 325.541 3.316 20 30 EGEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206365 1375208701 /nfs/dbraw/zinc/20/87/01/1375208701.db2.gz JFRMGXVMJACBEP-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206365 1375208704 /nfs/dbraw/zinc/20/87/04/1375208704.db2.gz JFRMGXVMJACBEP-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206365 1375208708 /nfs/dbraw/zinc/20/87/08/1375208708.db2.gz JFRMGXVMJACBEP-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132425579 1375372011 /nfs/dbraw/zinc/37/20/11/1375372011.db2.gz JJXBIYMYGHCKJW-ZWKOTPCHSA-N 2 1 335.536 3.022 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229126438 1375770456 /nfs/dbraw/zinc/77/04/56/1375770456.db2.gz JDXMIULFFRPATP-BHIYHBOVSA-N 2 1 346.519 3.343 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133319976 1375920487 /nfs/dbraw/zinc/92/04/87/1375920487.db2.gz WIPZRVXFNHXRAX-MJGOQNOKSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001230618362 1376104360 /nfs/dbraw/zinc/10/43/60/1376104360.db2.gz LPYPNUAZKAFDDX-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013384 1376381871 /nfs/dbraw/zinc/38/18/71/1376381871.db2.gz MYIWDAIQMHDOTQ-PMACEKPBSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189110835 1388461730 /nfs/dbraw/zinc/46/17/30/1388461730.db2.gz UKGVDYBHUXKDSS-XUVXKRRUSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147716793 1379064246 /nfs/dbraw/zinc/06/42/46/1379064246.db2.gz NEDIOQBFFXCPPF-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716793 1379064254 /nfs/dbraw/zinc/06/42/54/1379064254.db2.gz NEDIOQBFFXCPPF-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716793 1379064261 /nfs/dbraw/zinc/06/42/61/1379064261.db2.gz NEDIOQBFFXCPPF-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147985497 1379103248 /nfs/dbraw/zinc/10/32/48/1379103248.db2.gz JKKFESKGDSZBSM-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147985497 1379103249 /nfs/dbraw/zinc/10/32/49/1379103249.db2.gz JKKFESKGDSZBSM-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147985497 1379103250 /nfs/dbraw/zinc/10/32/50/1379103250.db2.gz JKKFESKGDSZBSM-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148386695 1379161511 /nfs/dbraw/zinc/16/15/11/1379161511.db2.gz ZHWVZLRZBIIWPV-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386695 1379161517 /nfs/dbraw/zinc/16/15/17/1379161517.db2.gz ZHWVZLRZBIIWPV-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386695 1379161521 /nfs/dbraw/zinc/16/15/21/1379161521.db2.gz ZHWVZLRZBIIWPV-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001148583225 1379217646 /nfs/dbraw/zinc/21/76/46/1379217646.db2.gz FTONCQUEPLXRFD-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001148583225 1379217651 /nfs/dbraw/zinc/21/76/51/1379217651.db2.gz FTONCQUEPLXRFD-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001148583225 1379217657 /nfs/dbraw/zinc/21/76/57/1379217657.db2.gz FTONCQUEPLXRFD-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167209 1380220114 /nfs/dbraw/zinc/22/01/14/1380220114.db2.gz ABOFVUKYORLLRH-GOSISDBHSA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994527 1380511648 /nfs/dbraw/zinc/51/16/48/1380511648.db2.gz YMDWBHLOHVFACJ-LJQANCHMSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157951323 1381079375 /nfs/dbraw/zinc/07/93/75/1381079375.db2.gz UIKCNYOETKXAGD-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951323 1381079381 /nfs/dbraw/zinc/07/93/81/1381079381.db2.gz UIKCNYOETKXAGD-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951323 1381079387 /nfs/dbraw/zinc/07/93/87/1381079387.db2.gz UIKCNYOETKXAGD-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158481008 1381260529 /nfs/dbraw/zinc/26/05/29/1381260529.db2.gz VONUJXNVRZWTLE-RBUKOAKNSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158481008 1381260534 /nfs/dbraw/zinc/26/05/34/1381260534.db2.gz VONUJXNVRZWTLE-RBUKOAKNSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158481008 1381260538 /nfs/dbraw/zinc/26/05/38/1381260538.db2.gz VONUJXNVRZWTLE-RBUKOAKNSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160286681 1382062249 /nfs/dbraw/zinc/06/22/49/1382062249.db2.gz WAFFCOODMUOVOE-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160286681 1382062255 /nfs/dbraw/zinc/06/22/55/1382062255.db2.gz WAFFCOODMUOVOE-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160286681 1382062259 /nfs/dbraw/zinc/06/22/59/1382062259.db2.gz WAFFCOODMUOVOE-UYAOXDASSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160985476 1382262005 /nfs/dbraw/zinc/26/20/05/1382262005.db2.gz CTHWPUXDWJXFJA-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985476 1382262009 /nfs/dbraw/zinc/26/20/09/1382262009.db2.gz CTHWPUXDWJXFJA-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160985476 1382262011 /nfs/dbraw/zinc/26/20/11/1382262011.db2.gz CTHWPUXDWJXFJA-HXUWFJFHSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133683 1382313081 /nfs/dbraw/zinc/31/30/81/1382313081.db2.gz MSHNVMIKGZSDMG-HXUWFJFHSA-N 2 1 349.563 3.457 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382844 1382390943 /nfs/dbraw/zinc/39/09/43/1382390943.db2.gz BGAPHXHAIWSWSP-IBGZPJMESA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704880 1382485099 /nfs/dbraw/zinc/48/50/99/1382485099.db2.gz IXUAMNJXUJMNAM-PMACEKPBSA-N 2 1 347.547 3.211 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161870149 1382534701 /nfs/dbraw/zinc/53/47/01/1382534701.db2.gz VWCGLWDMKCGOMM-LJQANCHMSA-N 2 1 335.536 3.047 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161870149 1382534707 /nfs/dbraw/zinc/53/47/07/1382534707.db2.gz VWCGLWDMKCGOMM-LJQANCHMSA-N 2 1 335.536 3.047 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161870149 1382534713 /nfs/dbraw/zinc/53/47/13/1382534713.db2.gz VWCGLWDMKCGOMM-LJQANCHMSA-N 2 1 335.536 3.047 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947024 1382566586 /nfs/dbraw/zinc/56/65/86/1382566586.db2.gz SGRYCJUFOOJYBW-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161947024 1382566595 /nfs/dbraw/zinc/56/65/95/1382566595.db2.gz SGRYCJUFOOJYBW-HXUWFJFHSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952962 1382569261 /nfs/dbraw/zinc/56/92/61/1382569261.db2.gz MYCPOKUKEHDVOL-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952962 1382569287 /nfs/dbraw/zinc/56/92/87/1382569287.db2.gz MYCPOKUKEHDVOL-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161952962 1382569297 /nfs/dbraw/zinc/56/92/97/1382569297.db2.gz MYCPOKUKEHDVOL-ICSRJNTNSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170868873 1384401954 /nfs/dbraw/zinc/40/19/54/1384401954.db2.gz VKTKGDBBYSRZHO-IEBWSBKVSA-N 2 1 331.504 3.130 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001171223805 1384473219 /nfs/dbraw/zinc/47/32/19/1384473219.db2.gz NUUNLTPMBNZAIO-QGZVFWFLSA-N 2 1 341.499 3.064 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001171223805 1384473220 /nfs/dbraw/zinc/47/32/20/1384473220.db2.gz NUUNLTPMBNZAIO-QGZVFWFLSA-N 2 1 341.499 3.064 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171918573 1384681358 /nfs/dbraw/zinc/68/13/58/1384681358.db2.gz QJGFISXNCZEPFM-GOSISDBHSA-N 2 1 337.552 3.482 20 30 EGEDMP CCOCC[C@H](C)[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172421224 1384788217 /nfs/dbraw/zinc/78/82/17/1384788217.db2.gz PBSHPWDBRLITTH-VDGAXYAQSA-N 2 1 329.488 3.445 20 30 EGEDMP CCOCC[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172422868 1384789148 /nfs/dbraw/zinc/78/91/48/1384789148.db2.gz YKUZAEXWGMFCMH-VDGAXYAQSA-N 2 1 329.488 3.445 20 30 EGEDMP CC(C)[N@@H+](C)Cc1nn(C2CCC(CC#N)CC2)c2c1CC[NH2+]C2 ZINC001173336375 1384961829 /nfs/dbraw/zinc/96/18/29/1384961829.db2.gz WUFYFIYCRBYAEX-UHFFFAOYSA-N 2 1 329.492 3.014 20 30 EGEDMP Cc1cc(N(C2CC[NH2+]CC2)C2CCC(CC#N)CC2)nc(C)[nH+]1 ZINC001173339408 1384962124 /nfs/dbraw/zinc/96/21/24/1384962124.db2.gz GVHHKJCHZFVOOJ-UHFFFAOYSA-N 2 1 327.476 3.124 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295136 1385242470 /nfs/dbraw/zinc/24/24/70/1385242470.db2.gz BZBRNXZTESKCMF-QGZVFWFLSA-N 2 1 325.541 3.195 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177415705 1385948865 /nfs/dbraw/zinc/94/88/65/1385948865.db2.gz IWADIPPUQGYZTC-IBGZPJMESA-N 2 1 349.563 3.293 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001178722134 1386290575 /nfs/dbraw/zinc/29/05/75/1386290575.db2.gz APYNVKJAAMBVDU-UXHICEINSA-N 2 1 349.563 3.032 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)CC(C)C ZINC001178722134 1386290578 /nfs/dbraw/zinc/29/05/78/1386290578.db2.gz APYNVKJAAMBVDU-UXHICEINSA-N 2 1 349.563 3.032 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001179358105 1386462435 /nfs/dbraw/zinc/46/24/35/1386462435.db2.gz VUUHVPRDFXGOPW-IBGZPJMESA-N 2 1 337.552 3.341 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001179358106 1386462624 /nfs/dbraw/zinc/46/26/24/1386462624.db2.gz VUUHVPRDFXGOPW-LJQANCHMSA-N 2 1 337.552 3.341 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788259 1386585511 /nfs/dbraw/zinc/58/55/11/1386585511.db2.gz SMKLGHNHJLIXAH-SJORKVTESA-N 2 1 341.927 3.022 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896638 1387241627 /nfs/dbraw/zinc/24/16/27/1387241627.db2.gz BERGAUJWGITSHX-YLJYHZDGSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001724956644 1425343355 /nfs/dbraw/zinc/34/33/55/1425343355.db2.gz LIXKFOFSQJXIIP-SFHVURJKSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001752442617 1440181628 /nfs/dbraw/zinc/18/16/28/1440181628.db2.gz WVCULICPSOGCMC-RBUKOAKNSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001752442616 1440181720 /nfs/dbraw/zinc/18/17/20/1440181720.db2.gz WVCULICPSOGCMC-OALUTQOASA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001752999003 1440263445 /nfs/dbraw/zinc/26/34/45/1440263445.db2.gz QMOQRAQWSQPURX-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001753405242 1440391702 /nfs/dbraw/zinc/39/17/02/1440391702.db2.gz HNRIEQDSEMWMQI-RBUKOAKNSA-N 2 1 335.536 3.022 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753547709 1440434593 /nfs/dbraw/zinc/43/45/93/1440434593.db2.gz HCEBDAMGFQEMNA-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001754731724 1440679605 /nfs/dbraw/zinc/67/96/05/1440679605.db2.gz XFLRIEDCNJLKNS-FPOVZHCZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755069908 1440746176 /nfs/dbraw/zinc/74/61/76/1440746176.db2.gz LTOJRXNVKBDFEU-LJQANCHMSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001755079209 1440750201 /nfs/dbraw/zinc/75/02/01/1440750201.db2.gz YWBLIZNZOZEPHV-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001755079209 1440750202 /nfs/dbraw/zinc/75/02/02/1440750202.db2.gz YWBLIZNZOZEPHV-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001755079209 1440750203 /nfs/dbraw/zinc/75/02/03/1440750203.db2.gz YWBLIZNZOZEPHV-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755138296 1440759426 /nfs/dbraw/zinc/75/94/26/1440759426.db2.gz KAYBDWJRQKGSHA-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138296 1440759427 /nfs/dbraw/zinc/75/94/27/1440759427.db2.gz KAYBDWJRQKGSHA-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138296 1440759428 /nfs/dbraw/zinc/75/94/28/1440759428.db2.gz KAYBDWJRQKGSHA-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001755701183 1440900305 /nfs/dbraw/zinc/90/03/05/1440900305.db2.gz NOQQXCYBQDFXRN-GGPKGHCWSA-N 2 1 335.536 3.164 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001755701183 1440900306 /nfs/dbraw/zinc/90/03/06/1440900306.db2.gz NOQQXCYBQDFXRN-GGPKGHCWSA-N 2 1 335.536 3.164 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001755701183 1440900307 /nfs/dbraw/zinc/90/03/07/1440900307.db2.gz NOQQXCYBQDFXRN-GGPKGHCWSA-N 2 1 335.536 3.164 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001755701183 1440900308 /nfs/dbraw/zinc/90/03/08/1440900308.db2.gz NOQQXCYBQDFXRN-GGPKGHCWSA-N 2 1 335.536 3.164 20 30 EGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544708 266152480 /nfs/dbraw/zinc/15/24/80/266152480.db2.gz YYCYGVBJSHESLK-DZGCQCFKSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544708 266152484 /nfs/dbraw/zinc/15/24/84/266152484.db2.gz YYCYGVBJSHESLK-DZGCQCFKSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544708 266152487 /nfs/dbraw/zinc/15/24/87/266152487.db2.gz YYCYGVBJSHESLK-DZGCQCFKSA-N 2 1 334.489 3.402 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CC(C)(C)CCC#N)c2)CCO1 ZINC000174304544 455377846 /nfs/dbraw/zinc/37/78/46/455377846.db2.gz BMSQOKYYMNCDSO-QGZVFWFLSA-N 2 1 329.488 3.327 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CC(C)(C)CCC#N)c2)CCO1 ZINC000174304544 455377849 /nfs/dbraw/zinc/37/78/49/455377849.db2.gz BMSQOKYYMNCDSO-QGZVFWFLSA-N 2 1 329.488 3.327 20 30 EGEDMP C#CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@@H]1CCc2ccccc21 ZINC000177256565 454843132 /nfs/dbraw/zinc/84/31/32/454843132.db2.gz CPZBXLACOOFRHY-HXUWFJFHSA-N 2 1 328.419 3.390 20 30 EGEDMP C#CCN(Cc1ccc(-n2ccnc2)nc1)[C@@H]1CCc2ccccc21 ZINC000177256565 454843135 /nfs/dbraw/zinc/84/31/35/454843135.db2.gz CPZBXLACOOFRHY-HXUWFJFHSA-N 2 1 328.419 3.390 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C ZINC000156449566 455119382 /nfs/dbraw/zinc/11/93/82/455119382.db2.gz LLPRHIMDKIQQNC-HNAYVOBHSA-N 2 1 340.471 3.253 20 30 EGEDMP N#Cc1cccc(OCCC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000156480339 455123821 /nfs/dbraw/zinc/12/38/21/455123821.db2.gz LJLXRJJVZNCJGS-IBGZPJMESA-N 2 1 327.472 3.277 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc(C#N)c1 ZINC000181541614 455352570 /nfs/dbraw/zinc/35/25/70/455352570.db2.gz RCXCAWYWYNNOQS-GOSISDBHSA-N 2 1 348.494 3.156 20 30 EGEDMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccc(C#N)cc2)n1 ZINC000285416772 455841428 /nfs/dbraw/zinc/84/14/28/455841428.db2.gz GIYPJUJCPPLNJE-YOFSQIOKSA-N 2 1 349.482 3.016 20 30 EGEDMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(-c2ccc(C#N)cc2)n1 ZINC000285416772 455841435 /nfs/dbraw/zinc/84/14/35/455841435.db2.gz GIYPJUJCPPLNJE-YOFSQIOKSA-N 2 1 349.482 3.016 20 30 EGEDMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(-c2ccc(C#N)cc2)n1 ZINC000285416772 455841439 /nfs/dbraw/zinc/84/14/39/455841439.db2.gz GIYPJUJCPPLNJE-YOFSQIOKSA-N 2 1 349.482 3.016 20 30 EGEDMP Cn1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccc(C#N)cc2)n1 ZINC000285416772 455841444 /nfs/dbraw/zinc/84/14/44/455841444.db2.gz GIYPJUJCPPLNJE-YOFSQIOKSA-N 2 1 349.482 3.016 20 30 EGEDMP C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000344641774 456842927 /nfs/dbraw/zinc/84/29/27/456842927.db2.gz RMLLPGVPENBLCL-QFBILLFUSA-N 2 1 337.471 3.036 20 30 EGEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000598593862 459958177 /nfs/dbraw/zinc/95/81/77/459958177.db2.gz XPWOLXPYONZOBN-MISYRCLQSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000598593862 459958185 /nfs/dbraw/zinc/95/81/85/459958185.db2.gz XPWOLXPYONZOBN-MISYRCLQSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000598593862 459958191 /nfs/dbraw/zinc/95/81/91/459958191.db2.gz XPWOLXPYONZOBN-MISYRCLQSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000598593862 459958197 /nfs/dbraw/zinc/95/81/97/459958197.db2.gz XPWOLXPYONZOBN-MISYRCLQSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H](CCC#N)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000602479776 459959221 /nfs/dbraw/zinc/95/92/21/459959221.db2.gz BYEYOBFFWHKTCU-SFHVURJKSA-N 2 1 334.552 3.054 20 30 EGEDMP C[C@@H](CCC#N)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602479776 459959228 /nfs/dbraw/zinc/95/92/28/459959228.db2.gz BYEYOBFFWHKTCU-SFHVURJKSA-N 3 1 334.552 3.054 20 30 EGEDMP C[C@@H](CCC#N)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602479776 459959235 /nfs/dbraw/zinc/95/92/35/459959235.db2.gz BYEYOBFFWHKTCU-SFHVURJKSA-N 3 1 334.552 3.054 20 30 EGEDMP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000598614058 459962714 /nfs/dbraw/zinc/96/27/14/459962714.db2.gz AKOIPETYERTZCC-RTBURBONSA-N 2 1 343.515 3.177 20 30 EGEDMP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000598614058 459962722 /nfs/dbraw/zinc/96/27/22/459962722.db2.gz AKOIPETYERTZCC-RTBURBONSA-N 2 1 343.515 3.177 20 30 EGEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815550 460984313 /nfs/dbraw/zinc/98/43/13/460984313.db2.gz WVWSFYBHJBYPMZ-UZLBHIALSA-N 2 1 327.472 3.026 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000152990584 526604172 /nfs/dbraw/zinc/60/41/72/526604172.db2.gz HAYYNNYOCBYKEI-INIZCTEOSA-N 2 1 343.471 3.334 20 30 EGEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000104168266 1293018218 /nfs/dbraw/zinc/01/82/18/1293018218.db2.gz QMCZIRMPGJSGSR-LBPRGKRZSA-N 2 1 344.381 3.044 20 30 EGEDMP C=CC[NH+](C)Cc1c(O)ccc2ccc(O)c(C[N@@H+](C)CC=C)c21 ZINC000155038916 1294081060 /nfs/dbraw/zinc/08/10/60/1294081060.db2.gz ROFYPMVRIVQHHX-UHFFFAOYSA-N 2 1 326.440 3.487 20 30 EGEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000157401139 1294177849 /nfs/dbraw/zinc/17/78/49/1294177849.db2.gz RHVYVUPPMNWOEV-MRXNPFEDSA-N 2 1 328.504 3.270 20 30 EGEDMP COc1ccc([C@@H](CNC(=[NH2+])N2CCCCC2)[NH+]2CCCCC2)cc1 ZINC000303792907 1296858273 /nfs/dbraw/zinc/85/82/73/1296858273.db2.gz YVBRKEFUJGPNSY-LJQANCHMSA-N 2 1 344.503 3.023 20 30 EGEDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000303866107 1296863415 /nfs/dbraw/zinc/86/34/15/1296863415.db2.gz CGKXVWISQMJIQR-MRXNPFEDSA-N 2 1 348.491 3.085 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303891291 1296871400 /nfs/dbraw/zinc/87/14/00/1296871400.db2.gz MYXKNDBMFQXSLS-JKSUJKDBSA-N 2 1 332.492 3.463 20 30 EGEDMP CC[C@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000305034507 1296954582 /nfs/dbraw/zinc/95/45/82/1296954582.db2.gz SBJVFCXUMIXQHV-WMZOPIPTSA-N 2 1 346.519 3.061 20 30 EGEDMP COc1ccc([C@@H](CNC(=[NH2+])N2CCCCCC2)[NH+]2CCCC2)cc1 ZINC000305049321 1296957810 /nfs/dbraw/zinc/95/78/10/1296957810.db2.gz GOWBBGUJPHOFAL-LJQANCHMSA-N 2 1 344.503 3.023 20 30 EGEDMP CN(C[C@H](O)c1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000402403810 1297745955 /nfs/dbraw/zinc/74/59/55/1297745955.db2.gz RYUJVUUWTORFOT-IRLDBZIGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000402403810 1297745962 /nfs/dbraw/zinc/74/59/62/1297745962.db2.gz RYUJVUUWTORFOT-IRLDBZIGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000402403810 1297745967 /nfs/dbraw/zinc/74/59/67/1297745967.db2.gz RYUJVUUWTORFOT-IRLDBZIGSA-N 2 1 349.478 3.046 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1O ZINC000755781633 1300396124 /nfs/dbraw/zinc/39/61/24/1300396124.db2.gz WBOJYCWHVOSXPX-GOSISDBHSA-N 2 1 344.499 3.293 20 30 EGEDMP C#CC(C)(C)[NH+](C)Cc1cc(C[N@@H+](C)C(C)(C)C#C)cc(OC)c1 ZINC000814634810 1318791025 /nfs/dbraw/zinc/79/10/25/1318791025.db2.gz ZZTCVFVSTRVXGL-UHFFFAOYSA-N 2 1 326.484 3.382 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696333 1319821932 /nfs/dbraw/zinc/82/19/32/1319821932.db2.gz KTXAOQNHWYJVQJ-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696333 1319821939 /nfs/dbraw/zinc/82/19/39/1319821939.db2.gz KTXAOQNHWYJVQJ-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696333 1319821946 /nfs/dbraw/zinc/82/19/46/1319821946.db2.gz KTXAOQNHWYJVQJ-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025560031 1324407627 /nfs/dbraw/zinc/40/76/27/1324407627.db2.gz ZBQIIZRVLPVODI-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947471751 1333141372 /nfs/dbraw/zinc/14/13/72/1333141372.db2.gz FBFXLHLZHDYKED-RDJZCZTQSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948079657 1333368973 /nfs/dbraw/zinc/36/89/73/1333368973.db2.gz YTUINLVSFJZGGW-DLBZAZTESA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439398 1333525722 /nfs/dbraw/zinc/52/57/22/1333525722.db2.gz OROAAHKNYAJALY-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439398 1333525724 /nfs/dbraw/zinc/52/57/24/1333525724.db2.gz OROAAHKNYAJALY-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439398 1333525728 /nfs/dbraw/zinc/52/57/28/1333525728.db2.gz OROAAHKNYAJALY-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473615 1333539572 /nfs/dbraw/zinc/53/95/72/1333539572.db2.gz JKIJNPCELLQPJD-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000969072964 1336138024 /nfs/dbraw/zinc/13/80/24/1336138024.db2.gz VDMOCZJRAKCHQJ-HXUWFJFHSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009684852 1337059347 /nfs/dbraw/zinc/05/93/47/1337059347.db2.gz SKOSEFFSWICSFY-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924232 1338771570 /nfs/dbraw/zinc/77/15/70/1338771570.db2.gz SISRAOSYTBXJGQ-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024089 1339484474 /nfs/dbraw/zinc/48/44/74/1339484474.db2.gz PACAZKXAIXJXEC-HDICACEKSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001018024089 1339484477 /nfs/dbraw/zinc/48/44/77/1339484477.db2.gz PACAZKXAIXJXEC-HDICACEKSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193807 1343007851 /nfs/dbraw/zinc/00/78/51/1343007851.db2.gz PEQDPCGUVZVFDD-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193807 1343007854 /nfs/dbraw/zinc/00/78/54/1343007854.db2.gz PEQDPCGUVZVFDD-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193807 1343007860 /nfs/dbraw/zinc/00/78/60/1343007860.db2.gz PEQDPCGUVZVFDD-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035256174 1343082341 /nfs/dbraw/zinc/08/23/41/1343082341.db2.gz FVAIJVUCAOTJOM-UHFFFAOYSA-N 2 1 347.547 3.143 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199641 1345372936 /nfs/dbraw/zinc/37/29/36/1345372936.db2.gz AUCSMGRUWKWBMW-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199641 1345372940 /nfs/dbraw/zinc/37/29/40/1345372940.db2.gz AUCSMGRUWKWBMW-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199641 1345372943 /nfs/dbraw/zinc/37/29/43/1345372943.db2.gz AUCSMGRUWKWBMW-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433545 1345496014 /nfs/dbraw/zinc/49/60/14/1345496014.db2.gz XEBXEUAMFGSLIJ-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045943889 1346779332 /nfs/dbraw/zinc/77/93/32/1346779332.db2.gz QUFBIHQVOXUKEP-HXUWFJFHSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001045958273 1346793676 /nfs/dbraw/zinc/79/36/76/1346793676.db2.gz ODBUYTYCTHMNAD-OAQYLSRUSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049523713 1347891760 /nfs/dbraw/zinc/89/17/60/1347891760.db2.gz GKLDYEHKNCBOAH-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049523713 1347891764 /nfs/dbraw/zinc/89/17/64/1347891764.db2.gz GKLDYEHKNCBOAH-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049523713 1347891765 /nfs/dbraw/zinc/89/17/65/1347891765.db2.gz GKLDYEHKNCBOAH-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763711 1348008876 /nfs/dbraw/zinc/00/88/76/1348008876.db2.gz XOJGXFSFGWQABE-ROUUACIJSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1C(C)C ZINC001049763711 1348008877 /nfs/dbraw/zinc/00/88/77/1348008877.db2.gz XOJGXFSFGWQABE-ROUUACIJSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819084 1348036112 /nfs/dbraw/zinc/03/61/12/1348036112.db2.gz BPTRYGODUWMFSO-PMACEKPBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955739 1348769509 /nfs/dbraw/zinc/76/95/09/1348769509.db2.gz JLBQQDDTZCVECB-QGZVFWFLSA-N 2 1 349.906 3.085 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245648 1349239802 /nfs/dbraw/zinc/23/98/02/1349239802.db2.gz XMNAAWVRBYIFGV-NRFANRHFSA-N 2 1 347.547 3.143 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001085781902 1358757388 /nfs/dbraw/zinc/75/73/88/1358757388.db2.gz HWILRNMKRXXKRD-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781902 1358757390 /nfs/dbraw/zinc/75/73/90/1358757390.db2.gz HWILRNMKRXXKRD-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781902 1358757395 /nfs/dbraw/zinc/75/73/95/1358757395.db2.gz HWILRNMKRXXKRD-VQTJNVASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086696375 1359187783 /nfs/dbraw/zinc/18/77/83/1359187783.db2.gz HJCUTZICUZHBTJ-IPMKNSEASA-N 2 1 347.547 3.092 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088811877 1360060790 /nfs/dbraw/zinc/06/07/90/1360060790.db2.gz AHHGXLOGTMBOTK-YZGWKJHDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088811877 1360060793 /nfs/dbraw/zinc/06/07/93/1360060793.db2.gz AHHGXLOGTMBOTK-YZGWKJHDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088811877 1360060798 /nfs/dbraw/zinc/06/07/98/1360060798.db2.gz AHHGXLOGTMBOTK-YZGWKJHDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419827 1360414068 /nfs/dbraw/zinc/41/40/68/1360414068.db2.gz IOMOMKUBCBWPEI-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419827 1360414071 /nfs/dbraw/zinc/41/40/71/1360414071.db2.gz IOMOMKUBCBWPEI-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419827 1360414073 /nfs/dbraw/zinc/41/40/73/1360414073.db2.gz IOMOMKUBCBWPEI-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565674 1360512267 /nfs/dbraw/zinc/51/22/67/1360512267.db2.gz WJZNOVMBAGVIKG-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565674 1360512270 /nfs/dbraw/zinc/51/22/70/1360512270.db2.gz WJZNOVMBAGVIKG-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565674 1360512273 /nfs/dbraw/zinc/51/22/73/1360512273.db2.gz WJZNOVMBAGVIKG-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001089656620 1360568409 /nfs/dbraw/zinc/56/84/09/1360568409.db2.gz LNHCIKMNXAEONQ-GOSISDBHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001089735490 1360640308 /nfs/dbraw/zinc/64/03/08/1360640308.db2.gz MCYQXNQPYLYQPN-IBGZPJMESA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099116339 1363632582 /nfs/dbraw/zinc/63/25/82/1363632582.db2.gz QODYBRMPZJCGGQ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116339 1363632585 /nfs/dbraw/zinc/63/25/85/1363632585.db2.gz QODYBRMPZJCGGQ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116339 1363632587 /nfs/dbraw/zinc/63/25/87/1363632587.db2.gz QODYBRMPZJCGGQ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185233527 1387657379 /nfs/dbraw/zinc/65/73/79/1387657379.db2.gz BEOJQCHTAONFBK-ROUUACIJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100319419 1364079228 /nfs/dbraw/zinc/07/92/28/1364079228.db2.gz LIPOZERVOBCOHN-CTWPCTMYSA-N 2 1 335.536 3.090 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536403 1364150560 /nfs/dbraw/zinc/15/05/60/1364150560.db2.gz YCOCPCHHXKHICZ-UHFFFAOYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001185317415 1387681286 /nfs/dbraw/zinc/68/12/86/1387681286.db2.gz PHLGEXCGHYECAL-MOPGFXCFSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101556024 1364617597 /nfs/dbraw/zinc/61/75/97/1364617597.db2.gz VPGRQNCZLIOGTG-UHFFFAOYSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101575173 1364629077 /nfs/dbraw/zinc/62/90/77/1364629077.db2.gz XGOBHXPAULYCCJ-HKUYNNGSSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588643 1364638958 /nfs/dbraw/zinc/63/89/58/1364638958.db2.gz WHGHGLHSCHLPRN-UHFFFAOYSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001101597736 1364648629 /nfs/dbraw/zinc/64/86/29/1364648629.db2.gz ZMXWDWRBLQYDQO-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174562 1365420716 /nfs/dbraw/zinc/42/07/16/1365420716.db2.gz SFQDAPWEZDEELG-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174562 1365420719 /nfs/dbraw/zinc/42/07/19/1365420719.db2.gz SFQDAPWEZDEELG-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174562 1365420722 /nfs/dbraw/zinc/42/07/22/1365420722.db2.gz SFQDAPWEZDEELG-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234212 1365447813 /nfs/dbraw/zinc/44/78/13/1365447813.db2.gz GUSGASTVBMCLOS-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234212 1365447817 /nfs/dbraw/zinc/44/78/17/1365447817.db2.gz GUSGASTVBMCLOS-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001104803214 1366179770 /nfs/dbraw/zinc/17/97/70/1366179770.db2.gz QQSOQIBDURYCFI-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105575227 1366540716 /nfs/dbraw/zinc/54/07/16/1366540716.db2.gz VVPSTHINBPKPBN-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577537 1366541608 /nfs/dbraw/zinc/54/16/08/1366541608.db2.gz WYDHNDUCJCCRAR-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106151736 1366614713 /nfs/dbraw/zinc/61/47/13/1366614713.db2.gz XPWSOWOCMCLESP-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918375 1367403391 /nfs/dbraw/zinc/40/33/91/1367403391.db2.gz DUZMLLCGPRMPEY-RNQOJCNYSA-N 2 1 347.547 3.183 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153659 1367527715 /nfs/dbraw/zinc/52/77/15/1367527715.db2.gz FXAHQCUDIOMRLN-AABGKKOBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158091 1367530392 /nfs/dbraw/zinc/53/03/92/1367530392.db2.gz HDNQPRHCUKYGGA-FUMNGEBKSA-N 2 1 347.547 3.185 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108822152 1367619366 /nfs/dbraw/zinc/61/93/66/1367619366.db2.gz XSQBBACECRXLSB-OTWHNJEPSA-N 2 1 346.519 3.131 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641671 1367840913 /nfs/dbraw/zinc/84/09/13/1367840913.db2.gz MKZXFJPKKARPEW-QZTJIDSGSA-N 2 1 346.519 3.284 20 30 EGEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641671 1367840916 /nfs/dbraw/zinc/84/09/16/1367840916.db2.gz MKZXFJPKKARPEW-QZTJIDSGSA-N 2 1 346.519 3.284 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578417 1367845800 /nfs/dbraw/zinc/84/58/00/1367845800.db2.gz GJQJXCARGFJRGA-TVFCKZIOSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001110578417 1367845802 /nfs/dbraw/zinc/84/58/02/1367845802.db2.gz GJQJXCARGFJRGA-TVFCKZIOSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192857106 1367890137 /nfs/dbraw/zinc/89/01/37/1367890137.db2.gz GCKLYQVFVHAUTE-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192857106 1367890139 /nfs/dbraw/zinc/89/01/39/1367890139.db2.gz GCKLYQVFVHAUTE-LJQANCHMSA-N 2 1 346.519 3.251 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110738647 1367955072 /nfs/dbraw/zinc/95/50/72/1367955072.db2.gz MKTFBWUTJLWTJD-KURKYZTESA-N 2 1 337.552 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110738647 1367955074 /nfs/dbraw/zinc/95/50/74/1367955074.db2.gz MKTFBWUTJLWTJD-KURKYZTESA-N 2 1 337.552 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110738647 1367955079 /nfs/dbraw/zinc/95/50/79/1367955079.db2.gz MKTFBWUTJLWTJD-KURKYZTESA-N 2 1 337.552 3.409 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC001193425486 1368026689 /nfs/dbraw/zinc/02/66/89/1368026689.db2.gz XLTFIZMZDJWKAO-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110858857 1368039398 /nfs/dbraw/zinc/03/93/98/1368039398.db2.gz UCXOIQASEBWCJG-AQNXPRMDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110858857 1368039400 /nfs/dbraw/zinc/03/94/00/1368039400.db2.gz UCXOIQASEBWCJG-AQNXPRMDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110858857 1368039406 /nfs/dbraw/zinc/03/94/06/1368039406.db2.gz UCXOIQASEBWCJG-AQNXPRMDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948859 1368116356 /nfs/dbraw/zinc/11/63/56/1368116356.db2.gz OQDDJSHLCVHKEH-DDBAPUKQSA-N 2 1 345.487 3.031 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001110948859 1368116364 /nfs/dbraw/zinc/11/63/64/1368116364.db2.gz OQDDJSHLCVHKEH-DDBAPUKQSA-N 2 1 345.487 3.031 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406821 1368254479 /nfs/dbraw/zinc/25/44/79/1368254479.db2.gz BCPMHYSTBNKBPS-QGZVFWFLSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111869871 1368517215 /nfs/dbraw/zinc/51/72/15/1368517215.db2.gz OAFQZPRKFMTLNU-BJLQDIEVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197810172 1368903172 /nfs/dbraw/zinc/90/31/72/1368903172.db2.gz SXAWFBMFQAICNU-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577711 1369392656 /nfs/dbraw/zinc/39/26/56/1369392656.db2.gz FBDRUBSYJCPWLM-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044484 1369470808 /nfs/dbraw/zinc/47/08/08/1369470808.db2.gz XOBVLIQYQBQYGH-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053841 1369473193 /nfs/dbraw/zinc/47/31/93/1369473193.db2.gz ZCKGTQYRJXNXLS-GOSISDBHSA-N 2 1 346.519 3.312 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400772 1369537206 /nfs/dbraw/zinc/53/72/06/1369537206.db2.gz UMKXIISBVFBKHQ-PKOBYXMFSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230233 1370032912 /nfs/dbraw/zinc/03/29/12/1370032912.db2.gz LBBQWXCJXNNFAD-MOPGFXCFSA-N 2 1 347.547 3.234 20 30 EGEDMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]3C2)cc1 ZINC001203902680 1370308025 /nfs/dbraw/zinc/30/80/25/1370308025.db2.gz KBHBWLCARRHSCT-FGZHOGPDSA-N 2 1 331.463 3.431 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115562925 1370562950 /nfs/dbraw/zinc/56/29/50/1370562950.db2.gz LOCCZHCCQUHAAJ-SFHVURJKSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573655 1370576450 /nfs/dbraw/zinc/57/64/50/1370576450.db2.gz SJQXDHXEXHESQC-KRWDZBQOSA-N 2 1 344.503 3.135 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579407 1370582480 /nfs/dbraw/zinc/58/24/80/1370582480.db2.gz MLQMQUSABWGZKE-GOSISDBHSA-N 2 1 335.536 3.236 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001206274307 1371009933 /nfs/dbraw/zinc/00/99/33/1371009933.db2.gz HWKSWOIEXFULSE-GOSISDBHSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC001120244973 1371511914 /nfs/dbraw/zinc/51/19/14/1371511914.db2.gz CBFYUQGJVSXNMF-UHFFFAOYSA-N 2 1 343.515 3.103 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCCC1 ZINC001120244973 1371511921 /nfs/dbraw/zinc/51/19/21/1371511921.db2.gz CBFYUQGJVSXNMF-UHFFFAOYSA-N 2 1 343.515 3.103 20 30 EGEDMP C#CCC[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC001120590239 1371628250 /nfs/dbraw/zinc/62/82/50/1371628250.db2.gz KGEHIMFJQHRPEU-UHFFFAOYSA-N 2 1 340.511 3.153 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334338 1371722157 /nfs/dbraw/zinc/72/21/57/1371722157.db2.gz IJQPPMQVIJMOPX-QZTJIDSGSA-N 2 1 344.503 3.088 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC[NH+](CC)CC1)[C@H]2CC ZINC001208596497 1371835162 /nfs/dbraw/zinc/83/51/62/1371835162.db2.gz QXWPGIMOBMGJND-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209204774 1372038046 /nfs/dbraw/zinc/03/80/46/1372038046.db2.gz LQRDSNMGTRFXQH-VQTJNVASSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183038 1372289902 /nfs/dbraw/zinc/28/99/02/1372289902.db2.gz KFJUSJHMJRVHJU-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214611212 1373089265 /nfs/dbraw/zinc/08/92/65/1373089265.db2.gz UOFLTQQUZNXVCZ-GUDVDZBRSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225591768 1375128409 /nfs/dbraw/zinc/12/84/09/1375128409.db2.gz ZOYLKSYCKVUZEK-HXUWFJFHSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132105633 1375150063 /nfs/dbraw/zinc/15/00/63/1375150063.db2.gz KKRYCIVZZWPQAV-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105633 1375150065 /nfs/dbraw/zinc/15/00/65/1375150065.db2.gz KKRYCIVZZWPQAV-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132105633 1375150067 /nfs/dbraw/zinc/15/00/67/1375150067.db2.gz KKRYCIVZZWPQAV-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001226334716 1375242636 /nfs/dbraw/zinc/24/26/36/1375242636.db2.gz YYLXEYUUAJTVKX-RCCFBDPRSA-N 2 1 346.519 3.380 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132264827 1375254513 /nfs/dbraw/zinc/25/45/13/1375254513.db2.gz CADCSPJRGWWVMU-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001227818331 1375479541 /nfs/dbraw/zinc/47/95/41/1375479541.db2.gz VDVMUWURLNBMHI-GOSISDBHSA-N 2 1 346.519 3.312 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228618232 1375618365 /nfs/dbraw/zinc/61/83/65/1375618365.db2.gz HGXCVLWIDPNOMG-KZNAEPCWSA-N 2 1 335.536 3.090 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133120901 1375786799 /nfs/dbraw/zinc/78/67/99/1375786799.db2.gz CDWCIIPJRTUJKS-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141396 1375803147 /nfs/dbraw/zinc/80/31/47/1375803147.db2.gz CXMZCNGIQFSTPO-ZWKOTPCHSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133186665 1375831866 /nfs/dbraw/zinc/83/18/66/1375831866.db2.gz YNCDJLCDIZNWGI-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234265646 1376795993 /nfs/dbraw/zinc/79/59/93/1376795993.db2.gz KFTGESBTMROMIP-MOPGFXCFSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234265646 1376795996 /nfs/dbraw/zinc/79/59/96/1376795996.db2.gz KFTGESBTMROMIP-MOPGFXCFSA-N 2 1 337.552 3.362 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323682 1376808823 /nfs/dbraw/zinc/80/88/23/1376808823.db2.gz SCTAPCCNEUEXSS-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323682 1376808825 /nfs/dbraw/zinc/80/88/25/1376808825.db2.gz SCTAPCCNEUEXSS-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323682 1376808830 /nfs/dbraw/zinc/80/88/30/1376808830.db2.gz SCTAPCCNEUEXSS-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001137119564 1377481615 /nfs/dbraw/zinc/48/16/15/1377481615.db2.gz WACMSBPIKHRKSD-LJQANCHMSA-N 2 1 327.472 3.429 20 30 EGEDMP N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC001137119564 1377481616 /nfs/dbraw/zinc/48/16/16/1377481616.db2.gz WACMSBPIKHRKSD-LJQANCHMSA-N 2 1 327.472 3.429 20 30 EGEDMP C=CCc1cccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1O ZINC001138628567 1377756789 /nfs/dbraw/zinc/75/67/89/1377756789.db2.gz XILWETJCARZEAM-UHFFFAOYSA-N 2 1 344.499 3.196 20 30 EGEDMP C=CCc1cccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1O ZINC001138628567 1377756790 /nfs/dbraw/zinc/75/67/90/1377756790.db2.gz XILWETJCARZEAM-UHFFFAOYSA-N 2 1 344.499 3.196 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001154099458 1380207966 /nfs/dbraw/zinc/20/79/66/1380207966.db2.gz KCLQMECHTSMBML-QGZVFWFLSA-N 2 1 337.552 3.432 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001154099458 1380207969 /nfs/dbraw/zinc/20/79/69/1380207969.db2.gz KCLQMECHTSMBML-QGZVFWFLSA-N 2 1 337.552 3.432 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001154099458 1380207972 /nfs/dbraw/zinc/20/79/72/1380207972.db2.gz KCLQMECHTSMBML-QGZVFWFLSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100007 1381127742 /nfs/dbraw/zinc/12/77/42/1381127742.db2.gz UTBIHICPZHOMAB-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768194 1381389258 /nfs/dbraw/zinc/38/92/58/1381389258.db2.gz NUOVLGRNVQENRM-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001158943461 1381476830 /nfs/dbraw/zinc/47/68/30/1381476830.db2.gz XXMGRBVGGPUHFK-QGZVFWFLSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160567509 1382144881 /nfs/dbraw/zinc/14/48/81/1382144881.db2.gz AEXHTNZSHCQLQX-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567509 1382144883 /nfs/dbraw/zinc/14/48/83/1382144883.db2.gz AEXHTNZSHCQLQX-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160567509 1382144886 /nfs/dbraw/zinc/14/48/86/1382144886.db2.gz AEXHTNZSHCQLQX-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP COc1cccc(C2(Nc3ccc(CC#N)c(C)[nH+]3)CC[NH2+]CC2)c1 ZINC001161996341 1382593220 /nfs/dbraw/zinc/59/32/20/1382593220.db2.gz FTQCHISZDTYWJJ-UHFFFAOYSA-N 2 1 336.439 3.156 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001171194247 1384465348 /nfs/dbraw/zinc/46/53/48/1384465348.db2.gz IDLGBLNLHZWQNL-KRWDZBQOSA-N 2 1 349.478 3.449 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171211497 1384469655 /nfs/dbraw/zinc/46/96/55/1384469655.db2.gz DVBYFTBJADCOCN-INIZCTEOSA-N 2 1 334.467 3.432 20 30 EGEDMP Cc1cccc(N([C@@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001171229999 1384474922 /nfs/dbraw/zinc/47/49/22/1384474922.db2.gz AFHSQBOCAKARTP-KRWDZBQOSA-N 2 1 334.467 3.451 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001171917734 1384681660 /nfs/dbraw/zinc/68/16/60/1384681660.db2.gz FCIOHZAGWDBIPP-SFHVURJKSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116642 1384733644 /nfs/dbraw/zinc/73/36/44/1384733644.db2.gz LYFIHCIWJGSUSB-XODKDNOYSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116642 1384733647 /nfs/dbraw/zinc/73/36/47/1384733647.db2.gz LYFIHCIWJGSUSB-XODKDNOYSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116642 1384733648 /nfs/dbraw/zinc/73/36/48/1384733648.db2.gz LYFIHCIWJGSUSB-XODKDNOYSA-N 2 1 345.531 3.035 20 30 EGEDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319329 1384768629 /nfs/dbraw/zinc/76/86/29/1384768629.db2.gz MVGMWUMPHZFGEZ-UWJYYQICSA-N 2 1 341.499 3.064 20 30 EGEDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172319329 1384768632 /nfs/dbraw/zinc/76/86/32/1384768632.db2.gz MVGMWUMPHZFGEZ-UWJYYQICSA-N 2 1 341.499 3.064 20 30 EGEDMP C=CCOC1CCC([NH2+]C2CCN(c3[nH+]cccc3C)CC2)CC1 ZINC001173314156 1384956464 /nfs/dbraw/zinc/95/64/64/1384956464.db2.gz KKVFKLXOVKOXIC-UHFFFAOYSA-N 2 1 329.488 3.462 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175262173 1385232590 /nfs/dbraw/zinc/23/25/90/1385232590.db2.gz COZVZMLJNWFCLV-MOPGFXCFSA-N 2 1 337.552 3.339 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175263471 1385233514 /nfs/dbraw/zinc/23/35/14/1385233514.db2.gz QAZMAZFIPFWWDX-APWZRJJASA-N 2 1 341.515 3.040 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176600408 1385637546 /nfs/dbraw/zinc/63/75/46/1385637546.db2.gz NWFOWTGLOADFFI-QGZVFWFLSA-N 2 1 336.524 3.427 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001177335606 1385918147 /nfs/dbraw/zinc/91/81/47/1385918147.db2.gz HPVANRRDMOGQOS-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001177349022 1385924311 /nfs/dbraw/zinc/92/43/11/1385924311.db2.gz UYWLFEVEFJHIFI-PMACEKPBSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001178527577 1386241717 /nfs/dbraw/zinc/24/17/17/1386241717.db2.gz OVQRYEAIBLPRMV-QGZVFWFLSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001178527447 1386242160 /nfs/dbraw/zinc/24/21/60/1386242160.db2.gz LTDFTCAKZYPGTC-QGZVFWFLSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693417 1386279445 /nfs/dbraw/zinc/27/94/45/1386279445.db2.gz QACBCKLLAORMAN-LJQANCHMSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925394 1386350965 /nfs/dbraw/zinc/35/09/65/1386350965.db2.gz GQDUCJVKUABMAW-OTWHNJEPSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001180039770 1386676932 /nfs/dbraw/zinc/67/69/32/1386676932.db2.gz LKOFDKAUAACWJA-IBGZPJMESA-N 2 1 331.504 3.132 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752835104 1440227189 /nfs/dbraw/zinc/22/71/89/1440227189.db2.gz BETFXRHMQGFDHE-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001752841758 1440231003 /nfs/dbraw/zinc/23/10/03/1440231003.db2.gz UBZHBXNJAAVULK-UYAOXDASSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001753275390 1440346180 /nfs/dbraw/zinc/34/61/80/1440346180.db2.gz QMVLBKQNECIDFX-PKOBYXMFSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001754868231 1440703864 /nfs/dbraw/zinc/70/38/64/1440703864.db2.gz NWBZWUDXHBVEMR-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001755102130 1440753131 /nfs/dbraw/zinc/75/31/31/1440753131.db2.gz IVOKBGCOFCNORG-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001755102130 1440753132 /nfs/dbraw/zinc/75/31/32/1440753132.db2.gz IVOKBGCOFCNORG-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001755102130 1440753133 /nfs/dbraw/zinc/75/31/33/1440753133.db2.gz IVOKBGCOFCNORG-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001755139293 1440759700 /nfs/dbraw/zinc/75/97/00/1440759700.db2.gz VKCKNBMJHWIFBK-DLBZAZTESA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001755195046 1440776521 /nfs/dbraw/zinc/77/65/21/1440776521.db2.gz IFNXBDPNXJANDK-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001755195046 1440776522 /nfs/dbraw/zinc/77/65/22/1440776522.db2.gz IFNXBDPNXJANDK-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755195046 1440776523 /nfs/dbraw/zinc/77/65/23/1440776523.db2.gz IFNXBDPNXJANDK-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001755275824 1440798962 /nfs/dbraw/zinc/79/89/62/1440798962.db2.gz ILASSMUTOSFZHE-UHFFFAOYSA-N 2 1 346.519 3.297 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001755342383 1440825733 /nfs/dbraw/zinc/82/57/33/1440825733.db2.gz DDPCMADMQHJKBS-IAGOWNOFSA-N 2 1 343.943 3.076 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001755722379 1440907991 /nfs/dbraw/zinc/90/79/91/1440907991.db2.gz ODXSRXMAOXMQMD-FXAWDEMLSA-N 2 1 343.515 3.297 20 30 EGEDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000178695103 232385915 /nfs/dbraw/zinc/38/59/15/232385915.db2.gz OSCIRKOTKMXPRL-OAHLLOKOSA-N 2 1 335.455 3.285 20 30 EGEDMP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268714360 252163799 /nfs/dbraw/zinc/16/37/99/252163799.db2.gz ULYOSVAAETZAJE-UNMCSNQZSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268714360 252163802 /nfs/dbraw/zinc/16/38/02/252163802.db2.gz ULYOSVAAETZAJE-UNMCSNQZSA-N 2 1 349.478 3.046 20 30 EGEDMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268714360 252163806 /nfs/dbraw/zinc/16/38/06/252163806.db2.gz ULYOSVAAETZAJE-UNMCSNQZSA-N 2 1 349.478 3.046 20 30 EGEDMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268714360 252163810 /nfs/dbraw/zinc/16/38/10/252163810.db2.gz ULYOSVAAETZAJE-UNMCSNQZSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@H+](Cc1cc(C#N)cs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350269200 165024217 /nfs/dbraw/zinc/02/42/17/165024217.db2.gz RCNPDIPSCJCGEB-UHFFFAOYSA-N 2 1 326.469 3.363 20 30 EGEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(C#N)cs3)c2)CCO1 ZINC000177690304 323344720 /nfs/dbraw/zinc/34/47/20/323344720.db2.gz MLNNDRAZRBJWMH-HNNXBMFYSA-N 2 1 341.480 3.130 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(C#N)cs3)c2)CCO1 ZINC000177690304 323344724 /nfs/dbraw/zinc/34/47/24/323344724.db2.gz MLNNDRAZRBJWMH-HNNXBMFYSA-N 2 1 341.480 3.130 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000125951391 454858877 /nfs/dbraw/zinc/85/88/77/454858877.db2.gz AOCMJICWUXDIAH-GOSISDBHSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156455949 455120249 /nfs/dbraw/zinc/12/02/49/455120249.db2.gz RLNARFSNNGMAPJ-KRWDZBQOSA-N 2 1 337.508 3.016 20 30 EGEDMP N#CCOc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000180556543 455196060 /nfs/dbraw/zinc/19/60/60/455196060.db2.gz WKWOXJJEDRYBJY-UHFFFAOYSA-N 2 1 327.472 3.476 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000246322082 455471444 /nfs/dbraw/zinc/47/14/44/455471444.db2.gz XCEZEMIGKVXUJI-WIYYLYMNSA-N 2 1 327.516 3.452 20 30 EGEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)CCO1 ZINC000185798052 455624267 /nfs/dbraw/zinc/62/42/67/455624267.db2.gz PHJDQHIGWRDRNY-ABSDTBQOSA-N 2 1 327.472 3.079 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)CCO1 ZINC000185798052 455624270 /nfs/dbraw/zinc/62/42/70/455624270.db2.gz PHJDQHIGWRDRNY-ABSDTBQOSA-N 2 1 327.472 3.079 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000293963198 455802207 /nfs/dbraw/zinc/80/22/07/455802207.db2.gz ACUKMDOFRUSOLK-CQSZACIVSA-N 2 1 328.485 3.119 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000293963198 455802211 /nfs/dbraw/zinc/80/22/11/455802211.db2.gz ACUKMDOFRUSOLK-CQSZACIVSA-N 2 1 328.485 3.119 20 30 EGEDMP Cc1c[nH+]ccc1OC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000289439285 456125556 /nfs/dbraw/zinc/12/55/56/456125556.db2.gz SXVBZUALMANRCF-UHFFFAOYSA-N 2 1 343.471 3.334 20 30 EGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000353413882 456686312 /nfs/dbraw/zinc/68/63/12/456686312.db2.gz RFWNEABXLZIVGW-QFIPXVFZSA-N 2 1 347.462 3.168 20 30 EGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000349404068 456963552 /nfs/dbraw/zinc/96/35/52/456963552.db2.gz DCBKPPIABPQZHH-UHFFFAOYSA-N 2 1 326.444 3.396 20 30 EGEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000349404068 456963553 /nfs/dbraw/zinc/96/35/53/456963553.db2.gz DCBKPPIABPQZHH-UHFFFAOYSA-N 2 1 326.444 3.396 20 30 EGEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358140381 457810307 /nfs/dbraw/zinc/81/03/07/457810307.db2.gz MXQFDIPHKGDEDH-JYPHPWERSA-N 2 1 327.472 3.178 20 30 EGEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358140381 457810312 /nfs/dbraw/zinc/81/03/12/457810312.db2.gz MXQFDIPHKGDEDH-JYPHPWERSA-N 2 1 327.472 3.178 20 30 EGEDMP C=CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000414742893 458325125 /nfs/dbraw/zinc/32/51/25/458325125.db2.gz MQMPAGURRFOAOC-RLLQIKCJSA-N 2 1 344.499 3.037 20 30 EGEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000414742893 458325130 /nfs/dbraw/zinc/32/51/30/458325130.db2.gz MQMPAGURRFOAOC-RLLQIKCJSA-N 2 1 344.499 3.037 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414775708 458325283 /nfs/dbraw/zinc/32/52/83/458325283.db2.gz GMQUGYJKCSRNAN-MSOLQXFVSA-N 2 1 330.472 3.082 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(C)(C#N)CC3)c2)CCO1 ZINC000449100366 458421008 /nfs/dbraw/zinc/42/10/08/458421008.db2.gz WJNNYJCCKOCRBV-MDMXATFFSA-N 2 1 341.499 3.469 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(C)(C#N)CC3)c2)CCO1 ZINC000449100366 458421013 /nfs/dbraw/zinc/42/10/13/458421013.db2.gz WJNNYJCCKOCRBV-MDMXATFFSA-N 2 1 341.499 3.469 20 30 EGEDMP N#CC1(CCC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)CCOCC1 ZINC000595508089 459329228 /nfs/dbraw/zinc/32/92/28/459329228.db2.gz HBIVNWIKJNEADI-UHFFFAOYSA-N 2 1 341.499 3.341 20 30 EGEDMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](C)CCC#N)CC2)cs1 ZINC000602555067 459995005 /nfs/dbraw/zinc/99/50/05/459995005.db2.gz GMLSEFQWFJPTSA-OAHLLOKOSA-N 2 1 334.533 3.447 20 30 EGEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1cccs1 ZINC000598718889 460004982 /nfs/dbraw/zinc/00/49/82/460004982.db2.gz HKNAAEXFVUICLS-VYDXJSESSA-N 2 1 335.517 3.021 20 30 EGEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1cccs1 ZINC000598718889 460004983 /nfs/dbraw/zinc/00/49/83/460004983.db2.gz HKNAAEXFVUICLS-VYDXJSESSA-N 2 1 335.517 3.021 20 30 EGEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCCC2)[C@@H]1c1cccs1 ZINC000262482143 1296635070 /nfs/dbraw/zinc/63/50/70/1296635070.db2.gz IDJOGKWSZHQBIU-NVXWUHKLSA-N 2 1 334.533 3.322 20 30 EGEDMP C[N@@H+](CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000303768592 1296849693 /nfs/dbraw/zinc/84/96/93/1296849693.db2.gz ALAYQKFRGOFVIN-UHFFFAOYSA-N 2 1 336.483 3.424 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000303883886 1296868023 /nfs/dbraw/zinc/86/80/23/1296868023.db2.gz MKIFJOJJBQDXED-KRWDZBQOSA-N 2 1 336.483 3.477 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)cc1C ZINC000303883886 1296868046 /nfs/dbraw/zinc/86/80/46/1296868046.db2.gz MKIFJOJJBQDXED-KRWDZBQOSA-N 2 1 336.483 3.477 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=[NH2+])N(C)C2CC2)C1 ZINC000305797182 1297053930 /nfs/dbraw/zinc/05/39/30/1297053930.db2.gz BBHPOJGBPJJDNN-IYBDPMFKSA-N 2 1 328.504 3.073 20 30 EGEDMP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311739135 1297111584 /nfs/dbraw/zinc/11/15/84/1297111584.db2.gz AZYYRGUFAMMQDX-WTOYTKOKSA-N 2 1 349.478 3.092 20 30 EGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000876719642 1298937307 /nfs/dbraw/zinc/93/73/07/1298937307.db2.gz QNIJEKDOGJDCMR-YJBOKZPZSA-N 2 1 349.906 3.147 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)OC)cc2C)CC1 ZINC000902796670 1317617634 /nfs/dbraw/zinc/61/76/34/1317617634.db2.gz SRPUTVXGMURRGK-MRXNPFEDSA-N 2 1 330.472 3.473 20 30 EGEDMP CCC[N@H+]1CC[C@@H](C[NH+]=C(NCc2ccccc2)NC(C)(C)C)C1 ZINC000912499670 1318894472 /nfs/dbraw/zinc/89/44/72/1318894472.db2.gz XXLNDFCAWDFSSX-SFHVURJKSA-N 2 1 330.520 3.252 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000815652245 1319037346 /nfs/dbraw/zinc/03/73/46/1319037346.db2.gz UZSVAOAJVJHGMU-ZDUSSCGKSA-N 2 1 341.268 3.064 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000815652245 1319037354 /nfs/dbraw/zinc/03/73/54/1319037354.db2.gz UZSVAOAJVJHGMU-ZDUSSCGKSA-N 2 1 341.268 3.064 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024617862 1323547936 /nfs/dbraw/zinc/54/79/36/1323547936.db2.gz LZPWHJLGFLAWCG-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024617862 1323547939 /nfs/dbraw/zinc/54/79/39/1323547939.db2.gz LZPWHJLGFLAWCG-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024617862 1323547943 /nfs/dbraw/zinc/54/79/43/1323547943.db2.gz LZPWHJLGFLAWCG-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024691872 1323607281 /nfs/dbraw/zinc/60/72/81/1323607281.db2.gz CNEQOUXZHDWGPQ-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691872 1323607289 /nfs/dbraw/zinc/60/72/89/1323607289.db2.gz CNEQOUXZHDWGPQ-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691872 1323607296 /nfs/dbraw/zinc/60/72/96/1323607296.db2.gz CNEQOUXZHDWGPQ-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279567 1324102035 /nfs/dbraw/zinc/10/20/35/1324102035.db2.gz DRFIRFLWGIKCNS-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461069 1324305724 /nfs/dbraw/zinc/30/57/24/1324305724.db2.gz ORBCHHBXBLGITI-WBVHZDCISA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484191 1324331904 /nfs/dbraw/zinc/33/19/04/1324331904.db2.gz AJGPESVJGDZHPZ-DLBZAZTESA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025516408 1324359657 /nfs/dbraw/zinc/35/96/57/1324359657.db2.gz SRNYUJBRPSYKDE-IRXDYDNUSA-N 2 1 347.503 3.138 20 30 EGEDMP C=CC[C@@H](CO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925700175 1325264444 /nfs/dbraw/zinc/26/44/44/1325264444.db2.gz ZTLLQUGZMOUQSR-WVVQBRDUSA-N 2 1 328.500 3.346 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001027647335 1328026129 /nfs/dbraw/zinc/02/61/29/1328026129.db2.gz NWSCVOBKDLOWBY-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001027647335 1328026133 /nfs/dbraw/zinc/02/61/33/1328026133.db2.gz NWSCVOBKDLOWBY-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001027647335 1328026139 /nfs/dbraw/zinc/02/61/39/1328026139.db2.gz NWSCVOBKDLOWBY-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948065147 1333360641 /nfs/dbraw/zinc/36/06/41/1333360641.db2.gz HTKYGVYQWCKUKN-IEBWSBKVSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948438842 1333524757 /nfs/dbraw/zinc/52/47/57/1333524757.db2.gz AMKFOIXQCMSMEC-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948438842 1333524761 /nfs/dbraw/zinc/52/47/61/1333524761.db2.gz AMKFOIXQCMSMEC-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948438842 1333524766 /nfs/dbraw/zinc/52/47/66/1333524766.db2.gz AMKFOIXQCMSMEC-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000948570659 1333581226 /nfs/dbraw/zinc/58/12/26/1333581226.db2.gz NYWBVCRSWJWLHF-QGZVFWFLSA-N 2 1 340.471 3.145 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000948852924 1333710123 /nfs/dbraw/zinc/71/01/23/1333710123.db2.gz YCBMNSQQTGYCBG-FQEVSTJZSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000969158940 1336166755 /nfs/dbraw/zinc/16/67/55/1336166755.db2.gz XPJYJFPSECVXJF-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C[C@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CC[C@@H]1C[NH3+] ZINC001205629485 1370817728 /nfs/dbraw/zinc/81/77/28/1370817728.db2.gz ZFIITADBLYCPRG-QWHCGFSZSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@@H]1C[NH3+] ZINC001205629485 1370817734 /nfs/dbraw/zinc/81/77/34/1370817734.db2.gz ZFIITADBLYCPRG-QWHCGFSZSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005873266 1336414269 /nfs/dbraw/zinc/41/42/69/1336414269.db2.gz LRWCDACJBOZVFV-FQEVSTJZSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009165198 1336980145 /nfs/dbraw/zinc/98/01/45/1336980145.db2.gz BWGPMEWEYGNWND-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009165198 1336980147 /nfs/dbraw/zinc/98/01/47/1336980147.db2.gz BWGPMEWEYGNWND-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009165198 1336980150 /nfs/dbraw/zinc/98/01/50/1336980150.db2.gz BWGPMEWEYGNWND-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001016924751 1338772331 /nfs/dbraw/zinc/77/23/31/1338772331.db2.gz YEUHODHEQSXKRD-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001018308782 1339570895 /nfs/dbraw/zinc/57/08/95/1339570895.db2.gz CSIKMKGRIDVUQS-KDURUIRLSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093044 1340421415 /nfs/dbraw/zinc/42/14/15/1340421415.db2.gz GMAOLQKOUKTGCO-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093044 1340421422 /nfs/dbraw/zinc/42/14/22/1340421422.db2.gz GMAOLQKOUKTGCO-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093044 1340421432 /nfs/dbraw/zinc/42/14/32/1340421432.db2.gz GMAOLQKOUKTGCO-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033573729 1341879134 /nfs/dbraw/zinc/87/91/34/1341879134.db2.gz IZHJSUSUDDKRNU-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573729 1341879136 /nfs/dbraw/zinc/87/91/36/1341879136.db2.gz IZHJSUSUDDKRNU-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033573729 1341879137 /nfs/dbraw/zinc/87/91/37/1341879137.db2.gz IZHJSUSUDDKRNU-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835606 1342035101 /nfs/dbraw/zinc/03/51/01/1342035101.db2.gz KCRFXQMMZPMIOZ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835606 1342035104 /nfs/dbraw/zinc/03/51/04/1342035104.db2.gz KCRFXQMMZPMIOZ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835606 1342035106 /nfs/dbraw/zinc/03/51/06/1342035106.db2.gz KCRFXQMMZPMIOZ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034370213 1342439216 /nfs/dbraw/zinc/43/92/16/1342439216.db2.gz XIBOGTGKJBVUHI-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034370213 1342439219 /nfs/dbraw/zinc/43/92/19/1342439219.db2.gz XIBOGTGKJBVUHI-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034370213 1342439221 /nfs/dbraw/zinc/43/92/21/1342439221.db2.gz XIBOGTGKJBVUHI-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545284 1342607247 /nfs/dbraw/zinc/60/72/47/1342607247.db2.gz PZTPKHJEZHCEDR-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001036096725 1343312049 /nfs/dbraw/zinc/31/20/49/1343312049.db2.gz PQJYVXLFPNZGRZ-AEFFLSMTSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039242078 1344967584 /nfs/dbraw/zinc/96/75/84/1344967584.db2.gz NIDSAAMYNBKNAK-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447249 1345071839 /nfs/dbraw/zinc/07/18/39/1345071839.db2.gz FUOATTHBVSEDJU-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039447249 1345071843 /nfs/dbraw/zinc/07/18/43/1345071843.db2.gz FUOATTHBVSEDJU-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001039474437 1345089069 /nfs/dbraw/zinc/08/90/69/1345089069.db2.gz ICZBBYJVWDUSGR-AABGKKOBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433592 1345496351 /nfs/dbraw/zinc/49/63/51/1345496351.db2.gz XVRWWODEIDTVFW-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433592 1345496356 /nfs/dbraw/zinc/49/63/56/1345496356.db2.gz XVRWWODEIDTVFW-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433592 1345496359 /nfs/dbraw/zinc/49/63/59/1345496359.db2.gz XVRWWODEIDTVFW-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726505 1345833596 /nfs/dbraw/zinc/83/35/96/1345833596.db2.gz ZMQSTPFLLJDEPA-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319408 1346933495 /nfs/dbraw/zinc/93/34/95/1346933495.db2.gz RJMJSNZCVYUKQK-GHTZIAJQSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319408 1346933497 /nfs/dbraw/zinc/93/34/97/1346933497.db2.gz RJMJSNZCVYUKQK-GHTZIAJQSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319408 1346933500 /nfs/dbraw/zinc/93/35/00/1346933500.db2.gz RJMJSNZCVYUKQK-GHTZIAJQSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046864307 1347136787 /nfs/dbraw/zinc/13/67/87/1347136787.db2.gz SCGCKXBNYUMFRD-HXUWFJFHSA-N 2 1 347.503 3.282 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049560921 1347910413 /nfs/dbraw/zinc/91/04/13/1347910413.db2.gz BSAMZLKDMNASOB-RTBURBONSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049560921 1347910416 /nfs/dbraw/zinc/91/04/16/1347910416.db2.gz BSAMZLKDMNASOB-RTBURBONSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049560921 1347910418 /nfs/dbraw/zinc/91/04/18/1347910418.db2.gz BSAMZLKDMNASOB-RTBURBONSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049834536 1348047531 /nfs/dbraw/zinc/04/75/31/1348047531.db2.gz BNQHLRZOWRCCDR-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049834536 1348047533 /nfs/dbraw/zinc/04/75/33/1348047533.db2.gz BNQHLRZOWRCCDR-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049834536 1348047537 /nfs/dbraw/zinc/04/75/37/1348047537.db2.gz BNQHLRZOWRCCDR-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955287 1348769934 /nfs/dbraw/zinc/76/99/34/1348769934.db2.gz CFPZVTGMHGNIHV-IBGZPJMESA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072095508 1355126586 /nfs/dbraw/zinc/12/65/86/1355126586.db2.gz JNFUCSJJNPNTMB-PXNSSMCTSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918987 1358878378 /nfs/dbraw/zinc/87/83/78/1358878378.db2.gz QKQYELVEHPKBIC-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085918987 1358878372 /nfs/dbraw/zinc/87/83/72/1358878372.db2.gz QKQYELVEHPKBIC-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918987 1358878377 /nfs/dbraw/zinc/87/83/77/1358878377.db2.gz QKQYELVEHPKBIC-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573096 1359537932 /nfs/dbraw/zinc/53/79/32/1359537932.db2.gz SXTFADZVQBAAIG-YSIASYRMSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573096 1359537936 /nfs/dbraw/zinc/53/79/36/1359537936.db2.gz SXTFADZVQBAAIG-YSIASYRMSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573096 1359537938 /nfs/dbraw/zinc/53/79/38/1359537938.db2.gz SXTFADZVQBAAIG-YSIASYRMSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC(C)(C)C1 ZINC001089430416 1360422273 /nfs/dbraw/zinc/42/22/73/1360422273.db2.gz MTNLIWPNNYQUSE-KRWDZBQOSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089509318 1360480959 /nfs/dbraw/zinc/48/09/59/1360480959.db2.gz ASOKMGRPTCFCHD-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509318 1360480961 /nfs/dbraw/zinc/48/09/61/1360480961.db2.gz ASOKMGRPTCFCHD-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509318 1360480963 /nfs/dbraw/zinc/48/09/63/1360480963.db2.gz ASOKMGRPTCFCHD-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001089721813 1360624141 /nfs/dbraw/zinc/62/41/41/1360624141.db2.gz LEAXMIMSVIAMHM-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001089721813 1360624143 /nfs/dbraw/zinc/62/41/43/1360624143.db2.gz LEAXMIMSVIAMHM-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001089721813 1360624147 /nfs/dbraw/zinc/62/41/47/1360624147.db2.gz LEAXMIMSVIAMHM-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185171571 1387633543 /nfs/dbraw/zinc/63/35/43/1387633543.db2.gz XFTHFDDZFXMSKO-MSOLQXFVSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001099069218 1363605884 /nfs/dbraw/zinc/60/58/84/1363605884.db2.gz CIGMSJIEAUMKLO-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001099069218 1363605888 /nfs/dbraw/zinc/60/58/88/1363605888.db2.gz CIGMSJIEAUMKLO-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001099069218 1363605891 /nfs/dbraw/zinc/60/58/91/1363605891.db2.gz CIGMSJIEAUMKLO-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099116554 1363632932 /nfs/dbraw/zinc/63/29/32/1363632932.db2.gz UHLYWYOLFXIVNQ-MSOLQXFVSA-N 2 1 337.552 3.146 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229717 1363703166 /nfs/dbraw/zinc/70/31/66/1363703166.db2.gz MFYXKXYUESRRPX-ROUUACIJSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185234686 1387657573 /nfs/dbraw/zinc/65/75/73/1387657573.db2.gz IRALXTCBTLYCBX-MSOLQXFVSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001101036011 1364383461 /nfs/dbraw/zinc/38/34/61/1364383461.db2.gz GRSDGGHBVRDWKD-CTWPCTMYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001101582174 1364634449 /nfs/dbraw/zinc/63/44/49/1364634449.db2.gz BXLFHHXBAOYPSQ-RTBURBONSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001102013185 1364811493 /nfs/dbraw/zinc/81/14/93/1364811493.db2.gz OFCOICDVRROOQP-NVXWUHKLSA-N 2 1 349.544 3.074 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC001102330298 1365005452 /nfs/dbraw/zinc/00/54/52/1365005452.db2.gz NQTVYFQMRJSITL-GUDVDZBRSA-N 2 1 339.568 3.227 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102601692 1365131408 /nfs/dbraw/zinc/13/14/08/1365131408.db2.gz MJSXHIXXMLPNFS-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103082143 1365369855 /nfs/dbraw/zinc/36/98/55/1365369855.db2.gz FGIODESUYGANSQ-VAMGGRTRSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082143 1365369858 /nfs/dbraw/zinc/36/98/58/1365369858.db2.gz FGIODESUYGANSQ-VAMGGRTRSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082143 1365369862 /nfs/dbraw/zinc/36/98/62/1365369862.db2.gz FGIODESUYGANSQ-VAMGGRTRSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086944 1365374272 /nfs/dbraw/zinc/37/42/72/1365374272.db2.gz YIDVKPKUISGRKZ-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086944 1365374276 /nfs/dbraw/zinc/37/42/76/1365374276.db2.gz YIDVKPKUISGRKZ-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086944 1365374279 /nfs/dbraw/zinc/37/42/79/1365374279.db2.gz YIDVKPKUISGRKZ-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001185549687 1387745624 /nfs/dbraw/zinc/74/56/24/1387745624.db2.gz RHBIXAAUYZMJBJ-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103375036 1365523507 /nfs/dbraw/zinc/52/35/07/1365523507.db2.gz WCWRNQDEJBVEBC-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001105563240 1366532649 /nfs/dbraw/zinc/53/26/49/1366532649.db2.gz HNGNAOUKANSABB-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105574587 1366539363 /nfs/dbraw/zinc/53/93/63/1366539363.db2.gz BNXGMGCSSBSGJJ-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105575138 1366540162 /nfs/dbraw/zinc/54/01/62/1366540162.db2.gz SASKDTIAWAZWCB-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613923 1367073199 /nfs/dbraw/zinc/07/31/99/1367073199.db2.gz GIEFMRNLGGJVPC-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614082 1367073245 /nfs/dbraw/zinc/07/32/45/1367073245.db2.gz PHKXIBYMTICEMC-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918374 1367403844 /nfs/dbraw/zinc/40/38/44/1367403844.db2.gz DUZMLLCGPRMPEY-LMCOJAPRSA-N 2 1 347.547 3.183 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001191062418 1367414053 /nfs/dbraw/zinc/41/40/53/1367414053.db2.gz WGSQRDYCDPOSFJ-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001191062418 1367414056 /nfs/dbraw/zinc/41/40/56/1367414056.db2.gz WGSQRDYCDPOSFJ-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001191062418 1367414060 /nfs/dbraw/zinc/41/40/60/1367414060.db2.gz WGSQRDYCDPOSFJ-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717234 1367553790 /nfs/dbraw/zinc/55/37/90/1367553790.db2.gz FNZYGSJBTQUFKW-OTWHNJEPSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683855 1367560307 /nfs/dbraw/zinc/56/03/07/1367560307.db2.gz LRLGQQAGNBDOOV-GOSISDBHSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192386960 1367770650 /nfs/dbraw/zinc/77/06/50/1367770650.db2.gz TXAZHOLRZZTENZ-GOSISDBHSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192386960 1367770655 /nfs/dbraw/zinc/77/06/55/1367770655.db2.gz TXAZHOLRZZTENZ-GOSISDBHSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192386960 1367770659 /nfs/dbraw/zinc/77/06/59/1367770659.db2.gz TXAZHOLRZZTENZ-GOSISDBHSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110684608 1367926261 /nfs/dbraw/zinc/92/62/61/1367926261.db2.gz QWVVWFMOYXCVCU-NMLBUPMWSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684608 1367926262 /nfs/dbraw/zinc/92/62/62/1367926262.db2.gz QWVVWFMOYXCVCU-NMLBUPMWSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684608 1367926263 /nfs/dbraw/zinc/92/62/63/1367926263.db2.gz QWVVWFMOYXCVCU-NMLBUPMWSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193423554 1368025201 /nfs/dbraw/zinc/02/52/01/1368025201.db2.gz CKRDOWJUTZOSRW-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423554 1368025206 /nfs/dbraw/zinc/02/52/06/1368025206.db2.gz CKRDOWJUTZOSRW-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193423554 1368025213 /nfs/dbraw/zinc/02/52/13/1368025213.db2.gz CKRDOWJUTZOSRW-PMACEKPBSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110857680 1368037050 /nfs/dbraw/zinc/03/70/50/1368037050.db2.gz MQWGBMPVNBEMNN-AQNXPRMDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857680 1368037055 /nfs/dbraw/zinc/03/70/55/1368037055.db2.gz MQWGBMPVNBEMNN-AQNXPRMDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001110857680 1368037060 /nfs/dbraw/zinc/03/70/60/1368037060.db2.gz MQWGBMPVNBEMNN-AQNXPRMDSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467363 1368311735 /nfs/dbraw/zinc/31/17/35/1368311735.db2.gz GULQVZGEMGJLHY-ZRNYENFQSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003874 1368607709 /nfs/dbraw/zinc/60/77/09/1368607709.db2.gz FKQLHRULHDZFCI-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001196424245 1368612675 /nfs/dbraw/zinc/61/26/75/1368612675.db2.gz WIZBNXVZPOKIIP-UHFFFAOYSA-N 2 1 340.471 3.229 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001197331891 1368789873 /nfs/dbraw/zinc/78/98/73/1368789873.db2.gz PXVRZJTUNVJUGT-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001112547252 1368923080 /nfs/dbraw/zinc/92/30/80/1368923080.db2.gz FKPYOUORCPPGBK-FPOVZHCZSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001113419634 1369414009 /nfs/dbraw/zinc/41/40/09/1369414009.db2.gz YCWPMMXCWMQXSL-RBUKOAKNSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001113419634 1369414013 /nfs/dbraw/zinc/41/40/13/1369414013.db2.gz YCWPMMXCWMQXSL-RBUKOAKNSA-N 2 1 335.536 3.118 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201231150 1369500822 /nfs/dbraw/zinc/50/08/22/1369500822.db2.gz ZGFJDQKAFPKQTN-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001203902593 1370307825 /nfs/dbraw/zinc/30/78/25/1370307825.db2.gz GZLVVKLLPVYASW-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535454 1370532347 /nfs/dbraw/zinc/53/23/47/1370532347.db2.gz WPZKGDYFYVMWDX-SFHVURJKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115573955 1370576346 /nfs/dbraw/zinc/57/63/46/1370576346.db2.gz ZHVWFOHPWVXCHS-LJQANCHMSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC[C@H]3CCCC[NH2+]3)C2)CC1 ZINC001204843591 1370588574 /nfs/dbraw/zinc/58/85/74/1370588574.db2.gz QSSSPERWXXSZKT-GOSISDBHSA-N 2 1 349.519 3.019 20 30 EGEDMP C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1C[NH3+] ZINC001205629484 1370817473 /nfs/dbraw/zinc/81/74/73/1370817473.db2.gz ZFIITADBLYCPRG-OLZOCXBDSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2C#N)CC[C@H]1C[NH3+] ZINC001205629484 1370817476 /nfs/dbraw/zinc/81/74/76/1370817476.db2.gz ZFIITADBLYCPRG-OLZOCXBDSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541032 1371430145 /nfs/dbraw/zinc/43/01/45/1371430145.db2.gz QIXUDYMZGMKLDI-HSALFYBXSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541032 1371430148 /nfs/dbraw/zinc/43/01/48/1371430148.db2.gz QIXUDYMZGMKLDI-HSALFYBXSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541032 1371430152 /nfs/dbraw/zinc/43/01/52/1371430152.db2.gz QIXUDYMZGMKLDI-HSALFYBXSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207602191 1371449286 /nfs/dbraw/zinc/44/92/86/1371449286.db2.gz OIPBGHJRGOJRON-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207602191 1371449288 /nfs/dbraw/zinc/44/92/88/1371449288.db2.gz OIPBGHJRGOJRON-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207602191 1371449291 /nfs/dbraw/zinc/44/92/91/1371449291.db2.gz OIPBGHJRGOJRON-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207616796 1371453233 /nfs/dbraw/zinc/45/32/33/1371453233.db2.gz FKLYKGLOIQVQRV-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207616796 1371453234 /nfs/dbraw/zinc/45/32/34/1371453234.db2.gz FKLYKGLOIQVQRV-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207616796 1371453235 /nfs/dbraw/zinc/45/32/35/1371453235.db2.gz FKLYKGLOIQVQRV-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120010435 1371454424 /nfs/dbraw/zinc/45/44/24/1371454424.db2.gz RRBANKVZEPUFDC-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120401504 1371562796 /nfs/dbraw/zinc/56/27/96/1371562796.db2.gz KFUDALKTGAPZQH-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014404 1371568262 /nfs/dbraw/zinc/56/82/62/1371568262.db2.gz QBYXTBXTSMXDEJ-RTBURBONSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120450620 1371581248 /nfs/dbraw/zinc/58/12/48/1371581248.db2.gz XFRJEGMNEXVARN-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450620 1371581251 /nfs/dbraw/zinc/58/12/51/1371581251.db2.gz XFRJEGMNEXVARN-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450620 1371581254 /nfs/dbraw/zinc/58/12/54/1371581254.db2.gz XFRJEGMNEXVARN-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208073557 1371588455 /nfs/dbraw/zinc/58/84/55/1371588455.db2.gz DYBIYUKAHRMVCP-MISYRCLQSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073745 1371588586 /nfs/dbraw/zinc/58/85/86/1371588586.db2.gz OBWPJGLQHBHTRQ-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001208109881 1371597413 /nfs/dbraw/zinc/59/74/13/1371597413.db2.gz UUHPPWAROQCZMW-SFHVURJKSA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334341 1371722178 /nfs/dbraw/zinc/72/21/78/1371722178.db2.gz IJQPPMQVIJMOPX-ZWKOTPCHSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459866 1371775776 /nfs/dbraw/zinc/77/57/76/1371775776.db2.gz LGBOGVNODLVTFW-QGZVFWFLSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208473671 1371781021 /nfs/dbraw/zinc/78/10/21/1371781021.db2.gz CUFKXXYMQJCDLK-PMACEKPBSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121261619 1371912705 /nfs/dbraw/zinc/91/27/05/1371912705.db2.gz YLLYKRGWDHTARW-SSBRDVDXSA-N 2 1 347.547 3.233 20 30 EGEDMP N#Cc1ccc2c(c1)CC[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)C2 ZINC001209846503 1372212368 /nfs/dbraw/zinc/21/23/68/1372212368.db2.gz SZSLXNSTODQEFQ-UHFFFAOYSA-N 2 1 342.446 3.174 20 30 EGEDMP N#Cc1c2c(sc1Nc1cc[nH+]c(N3CC[NH2+]CC3)c1)CCCC2 ZINC001210261840 1372308817 /nfs/dbraw/zinc/30/88/17/1372308817.db2.gz ILXDJRQAWMMQGJ-UHFFFAOYSA-N 2 1 339.468 3.047 20 30 EGEDMP N#Cc1cccc(C(F)(F)F)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210265401 1372309399 /nfs/dbraw/zinc/30/93/99/1372309399.db2.gz CQNYMQVOUNFRFX-UHFFFAOYSA-N 2 1 347.344 3.125 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211256596 1372513592 /nfs/dbraw/zinc/51/35/92/1372513592.db2.gz JRPSLYUTKCLLDD-RBUKOAKNSA-N 2 1 337.552 3.412 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215019914 1373158090 /nfs/dbraw/zinc/15/80/90/1373158090.db2.gz IVSSKIOIOCJFEE-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001226267158 1375230131 /nfs/dbraw/zinc/23/01/31/1375230131.db2.gz CFKIBXDLXSTETJ-DFQSSKMNSA-N 2 1 347.547 3.234 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377274 1375338185 /nfs/dbraw/zinc/33/81/85/1375338185.db2.gz VPCYZHMNOLHUFK-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437160 1375382256 /nfs/dbraw/zinc/38/22/56/1375382256.db2.gz QXLJJZLYDUSYMD-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549735 1375455438 /nfs/dbraw/zinc/45/54/38/1375455438.db2.gz YWIFDYRANUANQQ-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887217 1375625596 /nfs/dbraw/zinc/62/55/96/1375625596.db2.gz CVIAZLXYOMCIJR-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001228801520 1375681306 /nfs/dbraw/zinc/68/13/06/1375681306.db2.gz QTJIZGDAETWJFZ-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133122637 1375787571 /nfs/dbraw/zinc/78/75/71/1375787571.db2.gz SJKBNQXWIDMIPR-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229853865 1375904721 /nfs/dbraw/zinc/90/47/21/1375904721.db2.gz ZBXXUTFVHPRDRL-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001230617603 1376103513 /nfs/dbraw/zinc/10/35/13/1376103513.db2.gz DJBFGGSUYKURGI-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230617603 1376103529 /nfs/dbraw/zinc/10/35/29/1376103529.db2.gz DJBFGGSUYKURGI-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001230617603 1376103541 /nfs/dbraw/zinc/10/35/41/1376103541.db2.gz DJBFGGSUYKURGI-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C[N@H+](Cc1cc(C#N)ccn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC001232477642 1376466742 /nfs/dbraw/zinc/46/67/42/1376466742.db2.gz CSRBQLKSKHGMMI-UHFFFAOYSA-N 2 1 334.467 3.297 20 30 EGEDMP N#Cc1cc[nH]c1C[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001233043868 1376560424 /nfs/dbraw/zinc/56/04/24/1376560424.db2.gz NKLSUVWWCQQPRT-UHFFFAOYSA-N 2 1 340.496 3.436 20 30 EGEDMP N#Cc1cc[nH]c1C[NH+]1CCC2(CC[N@@H+](Cc3cccs3)C2)CC1 ZINC001233043868 1376560428 /nfs/dbraw/zinc/56/04/28/1376560428.db2.gz NKLSUVWWCQQPRT-UHFFFAOYSA-N 2 1 340.496 3.436 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234265648 1376795810 /nfs/dbraw/zinc/79/58/10/1376795810.db2.gz KFTGESBTMROMIP-RBUKOAKNSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234265648 1376795814 /nfs/dbraw/zinc/79/58/14/1376795814.db2.gz KFTGESBTMROMIP-RBUKOAKNSA-N 2 1 337.552 3.362 20 30 EGEDMP C=CCn1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccccc43)CC2)cn1 ZINC001139765326 1377948292 /nfs/dbraw/zinc/94/82/92/1377948292.db2.gz AWUSCFXDRYMPAI-UHFFFAOYSA-N 2 1 347.466 3.248 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147716795 1379064532 /nfs/dbraw/zinc/06/45/32/1379064532.db2.gz NEDIOQBFFXCPPF-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716795 1379064538 /nfs/dbraw/zinc/06/45/38/1379064538.db2.gz NEDIOQBFFXCPPF-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716795 1379064544 /nfs/dbraw/zinc/06/45/44/1379064544.db2.gz NEDIOQBFFXCPPF-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458293 1379175585 /nfs/dbraw/zinc/17/55/85/1379175585.db2.gz MFZIOGJWYYSLEJ-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458293 1379175588 /nfs/dbraw/zinc/17/55/88/1379175588.db2.gz MFZIOGJWYYSLEJ-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458293 1379175590 /nfs/dbraw/zinc/17/55/90/1379175590.db2.gz MFZIOGJWYYSLEJ-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148591817 1379219347 /nfs/dbraw/zinc/21/93/47/1379219347.db2.gz ZSNMEFKMVMDAII-UHFFFAOYSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329586 1381201831 /nfs/dbraw/zinc/20/18/31/1381201831.db2.gz ROFMLYRYMJVAEH-OTWHNJEPSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329586 1381201837 /nfs/dbraw/zinc/20/18/37/1381201837.db2.gz ROFMLYRYMJVAEH-OTWHNJEPSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329586 1381201845 /nfs/dbraw/zinc/20/18/45/1381201845.db2.gz ROFMLYRYMJVAEH-OTWHNJEPSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385682 1381227135 /nfs/dbraw/zinc/22/71/35/1381227135.db2.gz LIIKBRBURJSHEP-LWYYNNOASA-N 2 1 349.563 3.384 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385682 1381227141 /nfs/dbraw/zinc/22/71/41/1381227141.db2.gz LIIKBRBURJSHEP-LWYYNNOASA-N 2 1 349.563 3.384 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385682 1381227146 /nfs/dbraw/zinc/22/71/46/1381227146.db2.gz LIIKBRBURJSHEP-LWYYNNOASA-N 2 1 349.563 3.384 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158856315 1381437725 /nfs/dbraw/zinc/43/77/25/1381437725.db2.gz FVBKKNWAGDYELI-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158856315 1381437728 /nfs/dbraw/zinc/43/77/28/1381437728.db2.gz FVBKKNWAGDYELI-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158856315 1381437732 /nfs/dbraw/zinc/43/77/32/1381437732.db2.gz FVBKKNWAGDYELI-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872497 1381443929 /nfs/dbraw/zinc/44/39/29/1381443929.db2.gz MOCFFQJVCIIPGW-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158908849 1381459169 /nfs/dbraw/zinc/45/91/69/1381459169.db2.gz ALZYRUTZYHZIQB-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161021643 1382275777 /nfs/dbraw/zinc/27/57/77/1382275777.db2.gz SDJPPCWUFXKZAN-UHFFFAOYSA-N 2 1 345.487 3.059 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704925 1382485187 /nfs/dbraw/zinc/48/51/87/1382485187.db2.gz KURPNOKDAARXQO-PMACEKPBSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952051 1382568100 /nfs/dbraw/zinc/56/81/00/1382568100.db2.gz BILDKZGTDWFNMT-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)cc1 ZINC001163094989 1382963788 /nfs/dbraw/zinc/96/37/88/1382963788.db2.gz DDKWPTVXJFMPLS-AZUAARDMSA-N 2 1 341.499 3.190 20 30 EGEDMP CC(C)[C@@H](C#N)c1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1 ZINC001164212932 1383166679 /nfs/dbraw/zinc/16/66/79/1383166679.db2.gz KLGUSMXNJNXMMH-LJQANCHMSA-N 2 1 328.504 3.388 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164537002 1383197394 /nfs/dbraw/zinc/19/73/94/1383197394.db2.gz ZLQYRZWTMREPGN-SFHVURJKSA-N 2 1 347.547 3.093 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165472815 1383300102 /nfs/dbraw/zinc/30/01/02/1383300102.db2.gz SVLYKVAFHWRYPA-SFHVURJKSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167224892 1383570130 /nfs/dbraw/zinc/57/01/30/1383570130.db2.gz MHEGFXNJIIIYDQ-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCC[NH+]2CCSCC2)cc1 ZINC001167839673 1383756025 /nfs/dbraw/zinc/75/60/25/1383756025.db2.gz QXPDHYDNJAIUEP-IBGZPJMESA-N 2 1 331.529 3.470 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170784359 1384384828 /nfs/dbraw/zinc/38/48/28/1384384828.db2.gz IXLAHZAZUJWCCG-MOPGFXCFSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170877397 1384403548 /nfs/dbraw/zinc/40/35/48/1384403548.db2.gz DBSQPDIAQGYLMQ-SJORKVTESA-N 2 1 334.508 3.237 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001171308796 1384491276 /nfs/dbraw/zinc/49/12/76/1384491276.db2.gz WKTTZONBERMNKS-OALUTQOASA-N 2 1 349.563 3.175 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCC(C)(C)C ZINC001171308796 1384491279 /nfs/dbraw/zinc/49/12/79/1384491279.db2.gz WKTTZONBERMNKS-OALUTQOASA-N 2 1 349.563 3.175 20 30 EGEDMP C=CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172072169 1384717652 /nfs/dbraw/zinc/71/76/52/1384717652.db2.gz HUFKDHBWXPBPPS-KOUNCHBCSA-N 2 1 339.527 3.376 20 30 EGEDMP C=CC[NH+]1CCN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172072169 1384717657 /nfs/dbraw/zinc/71/76/57/1384717657.db2.gz HUFKDHBWXPBPPS-KOUNCHBCSA-N 2 1 339.527 3.376 20 30 EGEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001172495367 1384805190 /nfs/dbraw/zinc/80/51/90/1384805190.db2.gz PPJXLVCQSYCTGQ-KRWDZBQOSA-N 2 1 347.528 3.497 20 30 EGEDMP CC1(C#N)CCC([NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001173595930 1384984609 /nfs/dbraw/zinc/98/46/09/1384984609.db2.gz CBTDBMNFUSSZCL-JJBAYQRUSA-N 2 1 345.531 3.282 20 30 EGEDMP CC1(C#N)CCC([N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001173595930 1384984601 /nfs/dbraw/zinc/98/46/01/1384984601.db2.gz CBTDBMNFUSSZCL-JJBAYQRUSA-N 2 1 345.531 3.282 20 30 EGEDMP CC1(C#N)CCC([NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)CC1 ZINC001173595930 1384984606 /nfs/dbraw/zinc/98/46/06/1384984606.db2.gz CBTDBMNFUSSZCL-JJBAYQRUSA-N 2 1 345.531 3.282 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529260 1385323005 /nfs/dbraw/zinc/32/30/05/1385323005.db2.gz ROUSVHDCLWJCPP-KRWDZBQOSA-N 2 1 334.508 3.237 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175572800 1385335881 /nfs/dbraw/zinc/33/58/81/1385335881.db2.gz MGJVKDWQYNQEJL-IRXDYDNUSA-N 2 1 343.943 3.266 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176167331 1385500891 /nfs/dbraw/zinc/50/08/91/1385500891.db2.gz XWDKNNVANIEOGM-RTBURBONSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+]1C ZINC001177266441 1385889703 /nfs/dbraw/zinc/88/97/03/1385889703.db2.gz HNNNYQVKUJUBTA-AZUAARDMSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001177488702 1385975768 /nfs/dbraw/zinc/97/57/68/1385975768.db2.gz IGIHXHLQBUZESY-IBGZPJMESA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001177488963 1385976585 /nfs/dbraw/zinc/97/65/85/1385976585.db2.gz PKFSTXYBZIYFAC-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001178634418 1386265292 /nfs/dbraw/zinc/26/52/92/1386265292.db2.gz UOXSQDJVLNQTGM-RTBURBONSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001178707475 1386285124 /nfs/dbraw/zinc/28/51/24/1386285124.db2.gz HMRCPGYKUONFEX-BJLQDIEVSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001178853697 1386329386 /nfs/dbraw/zinc/32/93/86/1386329386.db2.gz OMOMEOMLPWSLFR-QGZVFWFLSA-N 2 1 325.541 3.338 20 30 EGEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361452 1386463194 /nfs/dbraw/zinc/46/31/94/1386463194.db2.gz FPLRCPGNRZFNOB-HXUWFJFHSA-N 2 1 347.547 3.073 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299565 1386759116 /nfs/dbraw/zinc/75/91/16/1386759116.db2.gz SXEKJVDCTWKRSX-BJLQDIEVSA-N 2 1 343.515 3.052 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299565 1386759119 /nfs/dbraw/zinc/75/91/19/1386759119.db2.gz SXEKJVDCTWKRSX-BJLQDIEVSA-N 2 1 343.515 3.052 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720523 1387044894 /nfs/dbraw/zinc/04/48/94/1387044894.db2.gz IKIVSXMWERFAFO-SVFBPWRDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC001484561000 1395446217 /nfs/dbraw/zinc/44/62/17/1395446217.db2.gz KJEOJSFUSTWGAR-LPHOPBHVSA-N 2 1 329.488 3.014 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001732330271 1428536581 /nfs/dbraw/zinc/53/65/81/1428536581.db2.gz VFWHWDSOMJEYEN-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001732330271 1428536583 /nfs/dbraw/zinc/53/65/83/1428536583.db2.gz VFWHWDSOMJEYEN-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001732330271 1428536584 /nfs/dbraw/zinc/53/65/84/1428536584.db2.gz VFWHWDSOMJEYEN-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001752736982 1440204394 /nfs/dbraw/zinc/20/43/94/1440204394.db2.gz GNOIKALJXODVLU-HCXYKTFWSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753445103 1440403229 /nfs/dbraw/zinc/40/32/29/1440403229.db2.gz FVCRCFUGGAVPTM-YLJYHZDGSA-N 2 1 343.515 3.249 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC001753836851 1440501323 /nfs/dbraw/zinc/50/13/23/1440501323.db2.gz FYTWKJJERBUAIQ-VQTJNVASSA-N 2 1 349.563 3.480 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001754391831 1440594265 /nfs/dbraw/zinc/59/42/65/1440594265.db2.gz IVFIKUJRWYPPLM-IBGZPJMESA-N 2 1 335.536 3.188 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001754843329 1440698290 /nfs/dbraw/zinc/69/82/90/1440698290.db2.gz ZUEGZMCTAFUFRJ-HSALFYBXSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001754843329 1440698291 /nfs/dbraw/zinc/69/82/91/1440698291.db2.gz ZUEGZMCTAFUFRJ-HSALFYBXSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001754843329 1440698292 /nfs/dbraw/zinc/69/82/92/1440698292.db2.gz ZUEGZMCTAFUFRJ-HSALFYBXSA-N 2 1 349.563 3.221 20 30 EGEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCCC3)cc2C1 ZINC001755101088 1440752448 /nfs/dbraw/zinc/75/24/48/1440752448.db2.gz REDYSYLQXZFEOC-UHFFFAOYSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCCC3)cc2C1 ZINC001755101088 1440752449 /nfs/dbraw/zinc/75/24/49/1440752449.db2.gz REDYSYLQXZFEOC-UHFFFAOYSA-N 2 1 341.499 3.069 20 30 EGEDMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289931315 266029781 /nfs/dbraw/zinc/02/97/81/266029781.db2.gz VMOQXMNKHVLORA-SFHVURJKSA-N 2 1 342.531 3.233 20 30 EGEDMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000289714509 266030323 /nfs/dbraw/zinc/03/03/23/266030323.db2.gz JFUJHGMUQBDSEK-KRWDZBQOSA-N 2 1 328.504 3.237 20 30 EGEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000289714509 266030326 /nfs/dbraw/zinc/03/03/26/266030326.db2.gz JFUJHGMUQBDSEK-KRWDZBQOSA-N 2 1 328.504 3.237 20 30 EGEDMP CC[C@@H](NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544298 267194817 /nfs/dbraw/zinc/19/48/17/267194817.db2.gz UDAKPKGXGCGNKI-YADHBBJMSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@@H](NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544298 267194822 /nfs/dbraw/zinc/19/48/22/267194822.db2.gz UDAKPKGXGCGNKI-YADHBBJMSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544298 267194826 /nfs/dbraw/zinc/19/48/26/267194826.db2.gz UDAKPKGXGCGNKI-YADHBBJMSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000447544298 267194829 /nfs/dbraw/zinc/19/48/29/267194829.db2.gz UDAKPKGXGCGNKI-YADHBBJMSA-N 2 1 349.478 3.236 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683537 454728633 /nfs/dbraw/zinc/72/86/33/454728633.db2.gz SAQVJGLNPVWIQS-PKOBYXMFSA-N 2 1 327.472 3.285 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683537 454728636 /nfs/dbraw/zinc/72/86/36/454728636.db2.gz SAQVJGLNPVWIQS-PKOBYXMFSA-N 2 1 327.472 3.285 20 30 EGEDMP C#CCCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000172116546 455124211 /nfs/dbraw/zinc/12/42/11/455124211.db2.gz XOBPTQHKVQGHGP-KDURUIRLSA-N 2 1 344.499 3.068 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000185770304 455619990 /nfs/dbraw/zinc/61/99/90/455619990.db2.gz JSNWOHOTYCJEJL-KJNZLNQQSA-N 2 1 341.499 3.468 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)[C@@H](C)C1 ZINC000353278535 456605193 /nfs/dbraw/zinc/60/51/93/456605193.db2.gz RAZFMDKDMFURPU-NDXORKPFSA-N 2 1 341.499 3.272 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC000329770440 456938334 /nfs/dbraw/zinc/93/83/34/456938334.db2.gz GAJWVFJFCNFFMK-QGZVFWFLSA-N 2 1 344.503 3.365 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449120259 458420361 /nfs/dbraw/zinc/42/03/61/458420361.db2.gz COPLLJLFCNENOV-UHFFFAOYSA-N 2 1 342.462 3.356 20 30 EGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000496489453 459212344 /nfs/dbraw/zinc/21/23/44/459212344.db2.gz ITAWTZMSGMUPFB-KRWDZBQOSA-N 2 1 339.524 3.166 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602485864 459963851 /nfs/dbraw/zinc/96/38/51/459963851.db2.gz SZMIEWWMLVBDIT-QGZVFWFLSA-N 2 1 326.488 3.430 20 30 EGEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000598728567 460008831 /nfs/dbraw/zinc/00/88/31/460008831.db2.gz VFHYUIBCHAQFRT-UXHICEINSA-N 2 1 343.515 3.179 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062549 460358049 /nfs/dbraw/zinc/35/80/49/460358049.db2.gz WQGLKCHWGBXFBX-GOSISDBHSA-N 2 1 345.531 3.383 20 30 EGEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619754711 460432295 /nfs/dbraw/zinc/43/22/95/460432295.db2.gz ISSKOGGCSAZNGG-HNAYVOBHSA-N 2 1 349.906 3.438 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619754711 460432303 /nfs/dbraw/zinc/43/23/03/460432303.db2.gz ISSKOGGCSAZNGG-HNAYVOBHSA-N 2 1 349.906 3.438 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000164409523 1294347418 /nfs/dbraw/zinc/34/74/18/1294347418.db2.gz ZCHXBSNMDHSOEG-KRWDZBQOSA-N 2 1 344.499 3.437 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000246797261 1296370312 /nfs/dbraw/zinc/37/03/12/1296370312.db2.gz POKRFZXOQHGBBZ-LPHOPBHVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000246797261 1296370325 /nfs/dbraw/zinc/37/03/25/1296370325.db2.gz POKRFZXOQHGBBZ-LPHOPBHVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000246797261 1296370341 /nfs/dbraw/zinc/37/03/41/1296370341.db2.gz POKRFZXOQHGBBZ-LPHOPBHVSA-N 2 1 330.472 3.045 20 30 EGEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)C1 ZINC000262505053 1296637947 /nfs/dbraw/zinc/63/79/47/1296637947.db2.gz BDNVWNZKHFGVIU-BFYDXBDKSA-N 2 1 334.533 3.178 20 30 EGEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCCCC1 ZINC000304788438 1296944711 /nfs/dbraw/zinc/94/47/11/1296944711.db2.gz JJUQWJNDYSPWJM-UHFFFAOYSA-N 2 1 340.471 3.212 20 30 EGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])N1CCCCC1 ZINC000304788438 1296944727 /nfs/dbraw/zinc/94/47/27/1296944727.db2.gz JJUQWJNDYSPWJM-UHFFFAOYSA-N 2 1 340.471 3.212 20 30 EGEDMP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000877060669 1299139134 /nfs/dbraw/zinc/13/91/34/1299139134.db2.gz NDSCWXFLPBDKEX-RTWAWAEBSA-N 2 1 328.500 3.043 20 30 EGEDMP C#CCCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000877060669 1299139140 /nfs/dbraw/zinc/13/91/40/1299139140.db2.gz NDSCWXFLPBDKEX-RTWAWAEBSA-N 2 1 328.500 3.043 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769516991 1303133468 /nfs/dbraw/zinc/13/34/68/1303133468.db2.gz XUTGYLTZMQXZEN-VQIMIIECSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769516991 1303133473 /nfs/dbraw/zinc/13/34/73/1303133473.db2.gz XUTGYLTZMQXZEN-VQIMIIECSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769516991 1303133476 /nfs/dbraw/zinc/13/34/76/1303133476.db2.gz XUTGYLTZMQXZEN-VQIMIIECSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000769516991 1303133479 /nfs/dbraw/zinc/13/34/79/1303133479.db2.gz XUTGYLTZMQXZEN-VQIMIIECSA-N 2 1 327.472 3.141 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000783293416 1305078028 /nfs/dbraw/zinc/07/80/28/1305078028.db2.gz HDUDEOXUWCHZHJ-KSEOMHKRSA-N 2 1 346.478 3.344 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000783293416 1305078037 /nfs/dbraw/zinc/07/80/37/1305078037.db2.gz HDUDEOXUWCHZHJ-KSEOMHKRSA-N 2 1 346.478 3.344 20 30 EGEDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000902948369 1317632853 /nfs/dbraw/zinc/63/28/53/1317632853.db2.gz RFCQSFHJBBJKSZ-VXKWHMMOSA-N 2 1 349.478 3.366 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439726 1323402796 /nfs/dbraw/zinc/40/27/96/1323402796.db2.gz FJMLZTBSSLBRLC-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024439726 1323402810 /nfs/dbraw/zinc/40/28/10/1323402810.db2.gz FJMLZTBSSLBRLC-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024439726 1323402823 /nfs/dbraw/zinc/40/28/23/1323402823.db2.gz FJMLZTBSSLBRLC-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520227 1323469946 /nfs/dbraw/zinc/46/99/46/1323469946.db2.gz GLRLZTKJHNETBH-KRWDZBQOSA-N 2 1 340.471 3.193 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025274988 1324093850 /nfs/dbraw/zinc/09/38/50/1324093850.db2.gz QOOIIPXYYUEZND-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026506603 1324855188 /nfs/dbraw/zinc/85/51/88/1324855188.db2.gz CIGGIMZWKFFCLQ-OFLPRAFFSA-N 2 1 341.927 3.019 20 30 EGEDMP N#Cc1ccc(F)c(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000925812127 1325312358 /nfs/dbraw/zinc/31/23/58/1325312358.db2.gz HJVGKCOIAXDUPA-ICSRJNTNSA-N 2 1 337.398 3.043 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799731 1333265339 /nfs/dbraw/zinc/26/53/39/1333265339.db2.gz CIXREMZJUOOBOA-PXNSSMCTSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364187 1333495767 /nfs/dbraw/zinc/49/57/67/1333495767.db2.gz CEOWRQLPCMAARS-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364187 1333495768 /nfs/dbraw/zinc/49/57/68/1333495768.db2.gz CEOWRQLPCMAARS-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364187 1333495771 /nfs/dbraw/zinc/49/57/71/1333495771.db2.gz CEOWRQLPCMAARS-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439509 1333525796 /nfs/dbraw/zinc/52/57/96/1333525796.db2.gz QVCLABCGOZBGED-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439509 1333525799 /nfs/dbraw/zinc/52/57/99/1333525799.db2.gz QVCLABCGOZBGED-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439509 1333525800 /nfs/dbraw/zinc/52/58/00/1333525800.db2.gz QVCLABCGOZBGED-AZUAARDMSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416773 1335924394 /nfs/dbraw/zinc/92/43/94/1335924394.db2.gz AXWPVRXHHLGIKS-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000968688019 1336011616 /nfs/dbraw/zinc/01/16/16/1336011616.db2.gz JGWYIBYCOWUYGQ-WMZOPIPTSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913479 1336086603 /nfs/dbraw/zinc/08/66/03/1336086603.db2.gz HBYATLZJFCQSSH-IBGZPJMESA-N 2 1 347.547 3.189 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009165206 1336979986 /nfs/dbraw/zinc/97/99/86/1336979986.db2.gz BWGPMEWEYGNWND-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009165206 1336979987 /nfs/dbraw/zinc/97/99/87/1336979987.db2.gz BWGPMEWEYGNWND-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009165206 1336979989 /nfs/dbraw/zinc/97/99/89/1336979989.db2.gz BWGPMEWEYGNWND-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862258 1338751445 /nfs/dbraw/zinc/75/14/45/1338751445.db2.gz UYPQNFACVAENFX-RBUKOAKNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093046 1340421660 /nfs/dbraw/zinc/42/16/60/1340421660.db2.gz GMAOLQKOUKTGCO-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093046 1340421664 /nfs/dbraw/zinc/42/16/64/1340421664.db2.gz GMAOLQKOUKTGCO-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093046 1340421665 /nfs/dbraw/zinc/42/16/65/1340421665.db2.gz GMAOLQKOUKTGCO-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028251789 1340512559 /nfs/dbraw/zinc/51/25/59/1340512559.db2.gz LUEREJIVGXAYEB-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028251789 1340512564 /nfs/dbraw/zinc/51/25/64/1340512564.db2.gz LUEREJIVGXAYEB-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028251789 1340512570 /nfs/dbraw/zinc/51/25/70/1340512570.db2.gz LUEREJIVGXAYEB-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034051371 1342192435 /nfs/dbraw/zinc/19/24/35/1342192435.db2.gz WARZLGZGLHXCGB-KRWDZBQOSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248424 1342345765 /nfs/dbraw/zinc/34/57/65/1342345765.db2.gz BXZBDGLGSVGTHC-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248424 1342345768 /nfs/dbraw/zinc/34/57/68/1342345768.db2.gz BXZBDGLGSVGTHC-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248424 1342345773 /nfs/dbraw/zinc/34/57/73/1342345773.db2.gz BXZBDGLGSVGTHC-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035259950 1343086591 /nfs/dbraw/zinc/08/65/91/1343086591.db2.gz KDBVDKGKLRIYQV-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035259950 1343086595 /nfs/dbraw/zinc/08/65/95/1343086595.db2.gz KDBVDKGKLRIYQV-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035259950 1343086599 /nfs/dbraw/zinc/08/65/99/1343086599.db2.gz KDBVDKGKLRIYQV-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755130 1343676763 /nfs/dbraw/zinc/67/67/63/1343676763.db2.gz RMGRQEHIFNQJLT-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755130 1343676765 /nfs/dbraw/zinc/67/67/65/1343676765.db2.gz RMGRQEHIFNQJLT-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755130 1343676768 /nfs/dbraw/zinc/67/67/68/1343676768.db2.gz RMGRQEHIFNQJLT-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938171 1346774246 /nfs/dbraw/zinc/77/42/46/1346774246.db2.gz TYYBOIRUXSYDQF-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938171 1346774248 /nfs/dbraw/zinc/77/42/48/1346774248.db2.gz TYYBOIRUXSYDQF-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938171 1346774250 /nfs/dbraw/zinc/77/42/50/1346774250.db2.gz TYYBOIRUXSYDQF-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045948463 1346783133 /nfs/dbraw/zinc/78/31/33/1346783133.db2.gz JYVRHTNANYBFOT-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948463 1346783135 /nfs/dbraw/zinc/78/31/35/1346783135.db2.gz JYVRHTNANYBFOT-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045948463 1346783137 /nfs/dbraw/zinc/78/31/37/1346783137.db2.gz JYVRHTNANYBFOT-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819089 1348036250 /nfs/dbraw/zinc/03/62/50/1348036250.db2.gz BPTRYGODUWMFSO-VQTJNVASSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650971 1348613662 /nfs/dbraw/zinc/61/36/62/1348613662.db2.gz BWAOHEJYRRZFOG-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052650971 1348613664 /nfs/dbraw/zinc/61/36/64/1348613664.db2.gz BWAOHEJYRRZFOG-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650971 1348613666 /nfs/dbraw/zinc/61/36/66/1348613666.db2.gz BWAOHEJYRRZFOG-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052763165 1348668812 /nfs/dbraw/zinc/66/88/12/1348668812.db2.gz DOPKVBJXUXIWJK-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105614 1348943124 /nfs/dbraw/zinc/94/31/24/1348943124.db2.gz QADLTHVHRUOUFP-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071509010 1354733599 /nfs/dbraw/zinc/73/35/99/1354733599.db2.gz WGJGNIJBUFWLRW-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071975790 1355055481 /nfs/dbraw/zinc/05/54/81/1355055481.db2.gz ZERVNLQEAGMXTG-YLJYHZDGSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001183869553 1387363770 /nfs/dbraw/zinc/36/37/70/1387363770.db2.gz WFMDGDHXANBDRF-RTBURBONSA-N 2 1 337.552 3.268 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938702 1359261178 /nfs/dbraw/zinc/26/11/78/1359261178.db2.gz XUFKRQWYJZQJTQ-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762704 1359632136 /nfs/dbraw/zinc/63/21/36/1359632136.db2.gz IYQSTRRMAXDNEX-ZWKOTPCHSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762704 1359632145 /nfs/dbraw/zinc/63/21/45/1359632145.db2.gz IYQSTRRMAXDNEX-ZWKOTPCHSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001088327240 1359831868 /nfs/dbraw/zinc/83/18/68/1359831868.db2.gz IOICIZBTUPORDI-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089379928 1360382435 /nfs/dbraw/zinc/38/24/35/1360382435.db2.gz APBZEJMPJZLMDJ-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089379928 1360382438 /nfs/dbraw/zinc/38/24/38/1360382438.db2.gz APBZEJMPJZLMDJ-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089379928 1360382441 /nfs/dbraw/zinc/38/24/41/1360382441.db2.gz APBZEJMPJZLMDJ-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425861 1360418504 /nfs/dbraw/zinc/41/85/04/1360418504.db2.gz DNLNTVHENQYKSB-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425861 1360418506 /nfs/dbraw/zinc/41/85/06/1360418506.db2.gz DNLNTVHENQYKSB-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425861 1360418508 /nfs/dbraw/zinc/41/85/08/1360418508.db2.gz DNLNTVHENQYKSB-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089425863 1360418633 /nfs/dbraw/zinc/41/86/33/1360418633.db2.gz DNLNTVHENQYKSB-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425863 1360418635 /nfs/dbraw/zinc/41/86/35/1360418635.db2.gz DNLNTVHENQYKSB-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089425863 1360418636 /nfs/dbraw/zinc/41/86/36/1360418636.db2.gz DNLNTVHENQYKSB-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CCCC)CCC[C@@H]12 ZINC001094555656 1361857346 /nfs/dbraw/zinc/85/73/46/1361857346.db2.gz FZPPMCRXWOGJAJ-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CCCC)CCC[C@@H]12 ZINC001094555656 1361857348 /nfs/dbraw/zinc/85/73/48/1361857348.db2.gz FZPPMCRXWOGJAJ-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CCCC)CCC[C@@H]12 ZINC001094555656 1361857351 /nfs/dbraw/zinc/85/73/51/1361857351.db2.gz FZPPMCRXWOGJAJ-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001185089840 1387616598 /nfs/dbraw/zinc/61/65/98/1387616598.db2.gz DQWDRMXYVOXTRH-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001099103001 1363622994 /nfs/dbraw/zinc/62/29/94/1363622994.db2.gz SZUYLOHZDPFRQC-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001099103001 1363622995 /nfs/dbraw/zinc/62/29/95/1363622995.db2.gz SZUYLOHZDPFRQC-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001099103001 1363622996 /nfs/dbraw/zinc/62/29/96/1363622996.db2.gz SZUYLOHZDPFRQC-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001099129991 1363641409 /nfs/dbraw/zinc/64/14/09/1363641409.db2.gz FNOOYWWNSCIPJN-GOSISDBHSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099129991 1363641410 /nfs/dbraw/zinc/64/14/10/1363641410.db2.gz FNOOYWWNSCIPJN-GOSISDBHSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001099129991 1363641412 /nfs/dbraw/zinc/64/14/12/1363641412.db2.gz FNOOYWWNSCIPJN-GOSISDBHSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001099153950 1363660171 /nfs/dbraw/zinc/66/01/71/1363660171.db2.gz QSZLRZWPRDHACC-IBGZPJMESA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001099153950 1363660173 /nfs/dbraw/zinc/66/01/73/1363660173.db2.gz QSZLRZWPRDHACC-IBGZPJMESA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001099153950 1363660176 /nfs/dbraw/zinc/66/01/76/1363660176.db2.gz QSZLRZWPRDHACC-IBGZPJMESA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406558 1364104278 /nfs/dbraw/zinc/10/42/78/1364104278.db2.gz ARWWHMKQRRQZCO-SOAGJPPSSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758018 1364248447 /nfs/dbraw/zinc/24/84/47/1364248447.db2.gz SJRWLKVKUVLHKW-UHFFFAOYSA-N 2 1 346.519 3.203 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100859761 1364295984 /nfs/dbraw/zinc/29/59/84/1364295984.db2.gz AXQMYTIAAWPNKU-UUKMXZOPSA-N 2 1 343.515 3.130 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001101280244 1364497429 /nfs/dbraw/zinc/49/74/29/1364497429.db2.gz KYIZLNDXCUPMIU-DYXWJJEUSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101366057 1364529997 /nfs/dbraw/zinc/52/99/97/1364529997.db2.gz YTQSTJCETGDTEV-HBFSDRIKSA-N 2 1 337.552 3.077 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102471997 1365073567 /nfs/dbraw/zinc/07/35/67/1365073567.db2.gz BFKKMCYZSZQHLC-QRVBRYPASA-N 2 1 337.552 3.003 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359239 1365517636 /nfs/dbraw/zinc/51/76/36/1365517636.db2.gz QESZKASTXYLLIK-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359239 1365517637 /nfs/dbraw/zinc/51/76/37/1365517637.db2.gz QESZKASTXYLLIK-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359239 1365517639 /nfs/dbraw/zinc/51/76/39/1365517639.db2.gz QESZKASTXYLLIK-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426735 1365553422 /nfs/dbraw/zinc/55/34/22/1365553422.db2.gz KRDWCVANFGQRJD-QRVBRYPASA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544267 1365625285 /nfs/dbraw/zinc/62/52/85/1365625285.db2.gz IQBJAGHPFQKXMD-GUDVDZBRSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654809 1365705601 /nfs/dbraw/zinc/70/56/01/1365705601.db2.gz CKFPHSGBLRNNLF-GUDVDZBRSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773660 1365777470 /nfs/dbraw/zinc/77/74/70/1365777470.db2.gz KKXGVUFTEFCQSO-WOJBJXKFSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104290806 1365977058 /nfs/dbraw/zinc/97/70/58/1365977058.db2.gz DZSULYFWWSUCEZ-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362746 1365988363 /nfs/dbraw/zinc/98/83/63/1365988363.db2.gz HRUZKLAXBNGFFW-FGTMMUONSA-N 2 1 337.552 3.146 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185750683 1387789604 /nfs/dbraw/zinc/78/96/04/1387789604.db2.gz LUGZHUZMYOITKZ-RBUKOAKNSA-N 2 1 339.568 3.371 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105575137 1366539980 /nfs/dbraw/zinc/53/99/80/1366539980.db2.gz SASKDTIAWAZWCB-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106574211 1366741296 /nfs/dbraw/zinc/74/12/96/1366741296.db2.gz CMXFDGYWOLNUMW-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542708 1367524840 /nfs/dbraw/zinc/52/48/40/1367524840.db2.gz HVJCBUVGOOPYKR-RTBURBONSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569321 1367838925 /nfs/dbraw/zinc/83/89/25/1367838925.db2.gz JRAJVMNUHUVKOU-WTGUMLROSA-N 2 1 347.547 3.020 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001111262494 1368229278 /nfs/dbraw/zinc/22/92/78/1368229278.db2.gz SIYARZYVBAWWNG-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001111262494 1368229283 /nfs/dbraw/zinc/22/92/83/1368229283.db2.gz SIYARZYVBAWWNG-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001111262494 1368229289 /nfs/dbraw/zinc/22/92/89/1368229289.db2.gz SIYARZYVBAWWNG-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001195866384 1368507087 /nfs/dbraw/zinc/50/70/87/1368507087.db2.gz ZUWMETZFUYGEJN-PMACEKPBSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001195866384 1368507090 /nfs/dbraw/zinc/50/70/90/1368507090.db2.gz ZUWMETZFUYGEJN-PMACEKPBSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001195866384 1368507096 /nfs/dbraw/zinc/50/70/96/1368507096.db2.gz ZUWMETZFUYGEJN-PMACEKPBSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163228 1368560519 /nfs/dbraw/zinc/56/05/19/1368560519.db2.gz JIASCTHBSJCRBR-GOSISDBHSA-N 2 1 346.519 3.265 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001196163228 1368560523 /nfs/dbraw/zinc/56/05/23/1368560523.db2.gz JIASCTHBSJCRBR-GOSISDBHSA-N 2 1 346.519 3.265 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111949175 1368571665 /nfs/dbraw/zinc/57/16/65/1368571665.db2.gz RAOCKGBVVDVOTI-BJLQDIEVSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196416799 1368611106 /nfs/dbraw/zinc/61/11/06/1368611106.db2.gz GTFPQLQSXUZWJD-UHFFFAOYSA-N 2 1 335.536 3.120 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221442 1368983876 /nfs/dbraw/zinc/98/38/76/1368983876.db2.gz JPXXJHNULAIOPY-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001198259040 1368992273 /nfs/dbraw/zinc/99/22/73/1368992273.db2.gz JXWZOCDBFZGTOI-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001113341252 1369359001 /nfs/dbraw/zinc/35/90/01/1369359001.db2.gz PMLMBMCYCZJTEU-GOSISDBHSA-N 2 1 325.541 3.221 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200644016 1369404780 /nfs/dbraw/zinc/40/47/80/1369404780.db2.gz IEEGQGBRZQZDKW-IRXDYDNUSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641639 1370198946 /nfs/dbraw/zinc/19/89/46/1370198946.db2.gz SPNIKJNCUKZJJW-RTBURBONSA-N 2 1 349.563 3.482 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC001115591771 1370592548 /nfs/dbraw/zinc/59/25/48/1370592548.db2.gz DGLBSZZPVRAYNT-MOPGFXCFSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCCCC1 ZINC001115768989 1370753590 /nfs/dbraw/zinc/75/35/90/1370753590.db2.gz QRZZSIWHYJFZSK-RTBURBONSA-N 2 1 347.547 3.378 20 30 EGEDMP C[C@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)CC[C@H]1C[NH3+] ZINC001205627680 1370817901 /nfs/dbraw/zinc/81/79/01/1370817901.db2.gz RPYGFDCGERHOJV-STQMWFEESA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)CC[C@H]1C[NH3+] ZINC001205627680 1370817907 /nfs/dbraw/zinc/81/79/07/1370817907.db2.gz RPYGFDCGERHOJV-STQMWFEESA-N 2 1 336.277 3.128 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001120401506 1371562543 /nfs/dbraw/zinc/56/25/43/1371562543.db2.gz KFUDALKTGAPZQH-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001120450576 1371581893 /nfs/dbraw/zinc/58/18/93/1371581893.db2.gz WRSRZXFCOCVDGG-UXHICEINSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208279409 1371694922 /nfs/dbraw/zinc/69/49/22/1371694922.db2.gz PDPKMGTZHYHCDA-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208279410 1371695238 /nfs/dbraw/zinc/69/52/38/1371695238.db2.gz PDPKMGTZHYHCDA-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325117 1371936753 /nfs/dbraw/zinc/93/67/53/1371936753.db2.gz AAXLQKXKCRFVFI-AKJOHPPZSA-N 2 1 335.536 3.088 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209222522 1372042649 /nfs/dbraw/zinc/04/26/49/1372042649.db2.gz JQDGGCJUFHHKMW-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121774069 1372076935 /nfs/dbraw/zinc/07/69/35/1372076935.db2.gz XMJSTTSVOJPSCZ-CGAYHSHTSA-N 2 1 349.563 3.172 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)CC[C@H]1C ZINC001132090011 1375139874 /nfs/dbraw/zinc/13/98/74/1375139874.db2.gz BYTNMHJFGANCJK-SJLPKXTDSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132090011 1375139878 /nfs/dbraw/zinc/13/98/78/1375139878.db2.gz BYTNMHJFGANCJK-SJLPKXTDSA-N 2 1 332.492 3.058 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)CC[C@H]1C ZINC001132090011 1375139883 /nfs/dbraw/zinc/13/98/83/1375139883.db2.gz BYTNMHJFGANCJK-SJLPKXTDSA-N 2 1 332.492 3.058 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001226767114 1375329250 /nfs/dbraw/zinc/32/92/50/1375329250.db2.gz QRAGCBUXBWPMAK-VAMGGRTRSA-N 2 1 347.547 3.377 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132425577 1375373500 /nfs/dbraw/zinc/37/35/00/1375373500.db2.gz JJXBIYMYGHCKJW-QZTJIDSGSA-N 2 1 335.536 3.022 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133120900 1375786693 /nfs/dbraw/zinc/78/66/93/1375786693.db2.gz CDWCIIPJRTUJKS-MSOLQXFVSA-N 2 1 337.552 3.005 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001133230968 1375856263 /nfs/dbraw/zinc/85/62/63/1375856263.db2.gz ZTVQAPXCVMJSLJ-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001133276008 1375889562 /nfs/dbraw/zinc/88/95/62/1375889562.db2.gz YVAZZZXWAFASSJ-OALUTQOASA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001230052889 1375936898 /nfs/dbraw/zinc/93/68/98/1375936898.db2.gz PBXXRIBJYBXATJ-UHFFFAOYSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001230598509 1376094507 /nfs/dbraw/zinc/09/45/07/1376094507.db2.gz QRRYYSUULWKOFS-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001230622952 1376105095 /nfs/dbraw/zinc/10/50/95/1376105095.db2.gz TVECYBVKWSZGTE-FQEVSTJZSA-N 2 1 347.547 3.142 20 30 EGEDMP C#CCOc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001138557735 1377742010 /nfs/dbraw/zinc/74/20/10/1377742010.db2.gz PWQMSMAGKQBQGF-FGZHOGPDSA-N 2 1 346.474 3.262 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777162 1379266088 /nfs/dbraw/zinc/26/60/88/1379266088.db2.gz FBYNGDUEFYHGGT-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCCCCC ZINC001155877765 1380501777 /nfs/dbraw/zinc/50/17/77/1380501777.db2.gz JELJCHWRZOTIFP-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155877765 1380501778 /nfs/dbraw/zinc/50/17/78/1380501778.db2.gz JELJCHWRZOTIFP-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155877765 1380501779 /nfs/dbraw/zinc/50/17/79/1380501779.db2.gz JELJCHWRZOTIFP-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156342211 1380562275 /nfs/dbraw/zinc/56/22/75/1380562275.db2.gz VDZBJOJCYVSHHG-WIYYLYMNSA-N 2 1 345.531 3.256 20 30 EGEDMP N#Cc1c(NC2=CC[C@H]([NH+]3CCCC3)CC2)sc2c1CC[NH2+]C2 ZINC001159159306 1381681211 /nfs/dbraw/zinc/68/12/11/1381681211.db2.gz GEQCMYQXMALFRN-AWEZNQCLSA-N 2 1 328.485 3.210 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160359798 1382081884 /nfs/dbraw/zinc/08/18/84/1382081884.db2.gz BCCQLGQWDVAJCZ-HXUWFJFHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504828 1382425866 /nfs/dbraw/zinc/42/58/66/1382425866.db2.gz TVBOWYLAXHGCOM-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161723465 1382489389 /nfs/dbraw/zinc/48/93/89/1382489389.db2.gz PGBCXGHKVLMZPN-UHFFFAOYSA-N 2 1 347.547 3.191 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473269 1383300180 /nfs/dbraw/zinc/30/01/80/1383300180.db2.gz ZGAGHLKPIKOPEC-MOPGFXCFSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165501934 1383303711 /nfs/dbraw/zinc/30/37/11/1383303711.db2.gz USOFEVTWLKDBOP-UHFFFAOYSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569385 1383311995 /nfs/dbraw/zinc/31/19/95/1383311995.db2.gz YFSLXXTYVBVACA-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385792 1383619219 /nfs/dbraw/zinc/61/92/19/1383619219.db2.gz UBDAJYAOXMSVQQ-GOSISDBHSA-N 2 1 335.536 3.092 20 30 EGEDMP C[C@@H]1CC([NH2+]Cc2cncc(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168024225 1383799520 /nfs/dbraw/zinc/79/95/20/1383799520.db2.gz CORACIZKURCWNF-IAGOWNOFSA-N 2 1 334.467 3.484 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144605 1384114109 /nfs/dbraw/zinc/11/41/09/1384114109.db2.gz KKKWEZOKJAJREN-DOADOZAASA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144605 1384114112 /nfs/dbraw/zinc/11/41/12/1384114112.db2.gz KKKWEZOKJAJREN-DOADOZAASA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144605 1384114113 /nfs/dbraw/zinc/11/41/13/1384114113.db2.gz KKKWEZOKJAJREN-DOADOZAASA-N 2 1 325.456 3.027 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169799657 1384187290 /nfs/dbraw/zinc/18/72/90/1384187290.db2.gz WTWUKKOCPPKEQI-ROUUACIJSA-N 2 1 325.541 3.316 20 30 EGEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001171222664 1384472515 /nfs/dbraw/zinc/47/25/15/1384472515.db2.gz ILKYXZLSEKSNGD-MRXNPFEDSA-N 2 1 329.463 3.388 20 30 EGEDMP Cc1nc2ccc(NC(=N)c3ccc(C(N)=O)cc3)cc2n1C(C)C ZINC001171256702 1384480454 /nfs/dbraw/zinc/48/04/54/1384480454.db2.gz LHIOEOXKFDEIJY-UHFFFAOYSA-N 2 1 335.411 3.062 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537458 1384555733 /nfs/dbraw/zinc/55/57/33/1384555733.db2.gz CUYCQTGFWKVXMK-OALUTQOASA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CC(C)(C)[NH+](C)C(C)(C)C2)C1 ZINC001171644616 1384591454 /nfs/dbraw/zinc/59/14/54/1384591454.db2.gz HGCJYHRYVSKILN-OAHLLOKOSA-N 2 1 337.508 3.014 20 30 EGEDMP CC1(C)C[C@H](NC(=[NH2+])c2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC001171970635 1384699436 /nfs/dbraw/zinc/69/94/36/1384699436.db2.gz DTFAIVKLCNIITE-QGZVFWFLSA-N 2 1 340.446 3.369 20 30 EGEDMP CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001171980854 1384701789 /nfs/dbraw/zinc/70/17/89/1384701789.db2.gz UDNOQEYDYOFQBG-LJQANCHMSA-N 2 1 334.467 3.486 20 30 EGEDMP CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC001171980854 1384701793 /nfs/dbraw/zinc/70/17/93/1384701793.db2.gz UDNOQEYDYOFQBG-LJQANCHMSA-N 2 1 334.467 3.486 20 30 EGEDMP CC(C)(C)OC(=O)C1([NH2+]C2CCC(CC#N)CC2)CCC([NH3+])CC1 ZINC001173327470 1384959298 /nfs/dbraw/zinc/95/92/98/1384959298.db2.gz CKKOPOYRHSVWCU-UHFFFAOYSA-N 2 1 335.492 3.030 20 30 EGEDMP C=CCOC1CCC([NH+]2CCC([N@@H+](CC)[C@@H]3CCOC3)CC2)CC1 ZINC001173328006 1384959894 /nfs/dbraw/zinc/95/98/94/1384959894.db2.gz XJAQKGAAXBXPMN-SKINQDTJSA-N 2 1 336.520 3.075 20 30 EGEDMP COc1ccccc1C1([NH3+])CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173591921 1384983002 /nfs/dbraw/zinc/98/30/02/1384983002.db2.gz YEKIFKOOLKFFGL-UHFFFAOYSA-N 2 1 327.472 3.417 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175295135 1385241741 /nfs/dbraw/zinc/24/17/41/1385241741.db2.gz BZBRNXZTESKCMF-KRWDZBQOSA-N 2 1 325.541 3.195 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176268902 1385532693 /nfs/dbraw/zinc/53/26/93/1385532693.db2.gz OAJVGYRSFFZSCV-ROUUACIJSA-N 2 1 325.541 3.338 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176284188 1385538848 /nfs/dbraw/zinc/53/88/48/1385538848.db2.gz CWWSJKYHEYGQEI-SFHVURJKSA-N 2 1 325.541 3.339 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001178634415 1386265088 /nfs/dbraw/zinc/26/50/88/1386265088.db2.gz UOXSQDJVLNQTGM-MOPGFXCFSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698357 1386281724 /nfs/dbraw/zinc/28/17/24/1386281724.db2.gz DZJZWBLXPIKKJN-QZTJIDSGSA-N 2 1 346.519 3.381 20 30 EGEDMP CCCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179590286 1386525170 /nfs/dbraw/zinc/52/51/70/1386525170.db2.gz GRPNEJYVCKXBFP-OALUTQOASA-N 2 1 339.568 3.421 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001717378268 1421321970 /nfs/dbraw/zinc/32/19/70/1421321970.db2.gz UCKCSLIQZXCWAC-UXHICEINSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001752706654 1440202725 /nfs/dbraw/zinc/20/27/25/1440202725.db2.gz IPVQXZMVHIQMSG-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001752706654 1440202726 /nfs/dbraw/zinc/20/27/26/1440202726.db2.gz IPVQXZMVHIQMSG-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001752706654 1440202727 /nfs/dbraw/zinc/20/27/27/1440202727.db2.gz IPVQXZMVHIQMSG-MOPGFXCFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752840749 1440230134 /nfs/dbraw/zinc/23/01/34/1440230134.db2.gz MGJNNUKUOYWHRX-MSOLQXFVSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752840749 1440230135 /nfs/dbraw/zinc/23/01/35/1440230135.db2.gz MGJNNUKUOYWHRX-MSOLQXFVSA-N 2 1 346.519 3.189 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001754567683 1440636400 /nfs/dbraw/zinc/63/64/00/1440636400.db2.gz RJMGAUQAKJCYDB-TZIWHRDSSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001754567683 1440636401 /nfs/dbraw/zinc/63/64/01/1440636401.db2.gz RJMGAUQAKJCYDB-TZIWHRDSSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001754567683 1440636402 /nfs/dbraw/zinc/63/64/02/1440636402.db2.gz RJMGAUQAKJCYDB-TZIWHRDSSA-N 2 1 349.563 3.223 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001754582157 1440638882 /nfs/dbraw/zinc/63/88/82/1440638882.db2.gz NGRRMWIRRHTLMI-XLIONFOSSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001754702955 1440668366 /nfs/dbraw/zinc/66/83/66/1440668366.db2.gz YWESWRAMNJDMKM-OAQYLSRUSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001754816478 1440692419 /nfs/dbraw/zinc/69/24/19/1440692419.db2.gz FBGGTJICMKKZEQ-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001754948340 1440714190 /nfs/dbraw/zinc/71/41/90/1440714190.db2.gz YKSUENXCLUEVNB-QFBILLFUSA-N 2 1 329.488 3.014 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001754948912 1440714473 /nfs/dbraw/zinc/71/44/73/1440714473.db2.gz RVUMIIMZLPYUST-DOTOQJQBSA-N 2 1 349.906 3.048 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755028967 1440730285 /nfs/dbraw/zinc/73/02/85/1440730285.db2.gz KIKJRWTUBVGUSB-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001755028967 1440730286 /nfs/dbraw/zinc/73/02/86/1440730286.db2.gz KIKJRWTUBVGUSB-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001755028967 1440730287 /nfs/dbraw/zinc/73/02/87/1440730287.db2.gz KIKJRWTUBVGUSB-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001755079379 1440750266 /nfs/dbraw/zinc/75/02/66/1440750266.db2.gz IUSHNQLJACOJKR-NRFANRHFSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001755141050 1440760347 /nfs/dbraw/zinc/76/03/47/1440760347.db2.gz ATEXKOWBBHNBHX-MJGOQNOKSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001755275987 1440799071 /nfs/dbraw/zinc/79/90/71/1440799071.db2.gz NWWWTJNAOWQQGE-CTWPCTMYSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001755342384 1440825664 /nfs/dbraw/zinc/82/56/64/1440825664.db2.gz DDPCMADMQHJKBS-IRXDYDNUSA-N 2 1 343.943 3.076 20 30 EGEDMP C=CCCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001755367988 1440835914 /nfs/dbraw/zinc/83/59/14/1440835914.db2.gz MVXOIGWNHMMATA-LJQANCHMSA-N 2 1 347.547 3.189 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001755414490 1440847928 /nfs/dbraw/zinc/84/79/28/1440847928.db2.gz XDQQNKBQKPVRJX-GOSISDBHSA-N 2 1 337.552 3.125 20 30 EGEDMP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268714359 252163929 /nfs/dbraw/zinc/16/39/29/252163929.db2.gz ULYOSVAAETZAJE-RBBKRZOGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268714359 252163931 /nfs/dbraw/zinc/16/39/31/252163931.db2.gz ULYOSVAAETZAJE-RBBKRZOGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268714359 252163936 /nfs/dbraw/zinc/16/39/36/252163936.db2.gz ULYOSVAAETZAJE-RBBKRZOGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268714359 252163939 /nfs/dbraw/zinc/16/39/39/252163939.db2.gz ULYOSVAAETZAJE-RBBKRZOGSA-N 2 1 349.478 3.046 20 30 EGEDMP COCC[N@@H+](C)CC[C@H](NCc1ccc(C#N)s1)c1ccccc1 ZINC000344231384 164131917 /nfs/dbraw/zinc/13/19/17/164131917.db2.gz LBAYDBQNBQQKSH-IBGZPJMESA-N 2 1 343.496 3.419 20 30 EGEDMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccc4C#N)c3)C[C@@H]2C1 ZINC000425996755 267342728 /nfs/dbraw/zinc/34/27/28/267342728.db2.gz STQPCFGSYAENMG-OYRHEFFESA-N 2 1 347.462 3.131 20 30 EGEDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccc4C#N)c3)C[C@@H]2C1 ZINC000425996755 267342732 /nfs/dbraw/zinc/34/27/32/267342732.db2.gz STQPCFGSYAENMG-OYRHEFFESA-N 2 1 347.462 3.131 20 30 EGEDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4C#N)c3)C[C@@H]2C1 ZINC000425996755 267342735 /nfs/dbraw/zinc/34/27/35/267342735.db2.gz STQPCFGSYAENMG-OYRHEFFESA-N 2 1 347.462 3.131 20 30 EGEDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C[C@@H]2C1 ZINC000425996755 267342736 /nfs/dbraw/zinc/34/27/36/267342736.db2.gz STQPCFGSYAENMG-OYRHEFFESA-N 2 1 347.462 3.131 20 30 EGEDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(C#N)cc3Br)CC[C@@H]21 ZINC000181149936 455295025 /nfs/dbraw/zinc/29/50/25/455295025.db2.gz BKNIJVKCJWFWAM-RDJZCZTQSA-N 2 1 348.288 3.237 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083031822 453935138 /nfs/dbraw/zinc/93/51/38/453935138.db2.gz FXHNCJVHBOUESQ-FUHWJXTLSA-N 2 1 344.503 3.069 20 30 EGEDMP C=C(C)COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253966 454541916 /nfs/dbraw/zinc/54/19/16/454541916.db2.gz ZSCWKEOQFRHPRI-SFHVURJKSA-N 2 1 332.488 3.424 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253966 454541924 /nfs/dbraw/zinc/54/19/24/454541924.db2.gz ZSCWKEOQFRHPRI-SFHVURJKSA-N 2 1 332.488 3.424 20 30 EGEDMP C=C(C)COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000092253966 454541930 /nfs/dbraw/zinc/54/19/30/454541930.db2.gz ZSCWKEOQFRHPRI-SFHVURJKSA-N 2 1 332.488 3.424 20 30 EGEDMP C=C(C)COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000092253966 454541936 /nfs/dbraw/zinc/54/19/36/454541936.db2.gz ZSCWKEOQFRHPRI-SFHVURJKSA-N 2 1 332.488 3.424 20 30 EGEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134548765 454560072 /nfs/dbraw/zinc/56/00/72/454560072.db2.gz NGIREOMLECKRQM-XJKSGUPXSA-N 2 1 340.874 3.032 20 30 EGEDMP N#Cc1cccc(OCCCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134906741 454607119 /nfs/dbraw/zinc/60/71/19/454607119.db2.gz ZCCCQEPHLCMHJP-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134906741 454607122 /nfs/dbraw/zinc/60/71/22/454607122.db2.gz ZCCCQEPHLCMHJP-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134906741 454607125 /nfs/dbraw/zinc/60/71/25/454607125.db2.gz ZCCCQEPHLCMHJP-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134906741 454607128 /nfs/dbraw/zinc/60/71/28/454607128.db2.gz ZCCCQEPHLCMHJP-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134906741 454607130 /nfs/dbraw/zinc/60/71/30/454607130.db2.gz ZCCCQEPHLCMHJP-WIYYLYMNSA-N 2 1 339.483 3.276 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000106245292 454688259 /nfs/dbraw/zinc/68/82/59/454688259.db2.gz PRXXIMPAMHBXBG-UHFFFAOYSA-N 2 1 327.472 3.499 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)s3)c2)CCO1 ZINC000176955303 454803264 /nfs/dbraw/zinc/80/32/64/454803264.db2.gz UXOHLTWRSMVQDD-OAHLLOKOSA-N 2 1 341.480 3.130 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)s3)c2)CCO1 ZINC000176955303 454803265 /nfs/dbraw/zinc/80/32/65/454803265.db2.gz UXOHLTWRSMVQDD-OAHLLOKOSA-N 2 1 341.480 3.130 20 30 EGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177502604 454871233 /nfs/dbraw/zinc/87/12/33/454871233.db2.gz VSMUXRBUAJRLKU-HDICACEKSA-N 2 1 341.499 3.270 20 30 EGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)s3)CC2)C[C@H](C)O1 ZINC000180181772 455145457 /nfs/dbraw/zinc/14/54/57/455145457.db2.gz MQFFYRDAEGWJDQ-IYBDPMFKSA-N 2 1 347.528 3.331 20 30 EGEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159304029 455368294 /nfs/dbraw/zinc/36/82/94/455368294.db2.gz BXVXQYQLFPDFDS-QHAWAJNXSA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159304029 455368296 /nfs/dbraw/zinc/36/82/96/455368296.db2.gz BXVXQYQLFPDFDS-QHAWAJNXSA-N 2 1 328.500 3.300 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159304029 455368301 /nfs/dbraw/zinc/36/83/01/455368301.db2.gz BXVXQYQLFPDFDS-QHAWAJNXSA-N 2 1 328.500 3.300 20 30 EGEDMP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cc1C#N ZINC000191188014 455460984 /nfs/dbraw/zinc/46/09/84/455460984.db2.gz SWUJLTMUDUDGND-UHFFFAOYSA-N 2 1 348.450 3.412 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1C ZINC000263251424 456116491 /nfs/dbraw/zinc/11/64/91/456116491.db2.gz OTSCYKJXPPVTNA-KRWDZBQOSA-N 2 1 326.444 3.460 20 30 EGEDMP C#Cc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000289307140 456120875 /nfs/dbraw/zinc/12/08/75/456120875.db2.gz RQOFKCMWSHOCNG-UHFFFAOYSA-N 2 1 337.467 3.275 20 30 EGEDMP C=CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000289963148 456197430 /nfs/dbraw/zinc/19/74/30/456197430.db2.gz ZDESDLQOSYSYHY-JWTNVVGKSA-N 2 1 330.472 3.317 20 30 EGEDMP C=CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000289963148 456197437 /nfs/dbraw/zinc/19/74/37/456197437.db2.gz ZDESDLQOSYSYHY-JWTNVVGKSA-N 2 1 330.472 3.317 20 30 EGEDMP C=CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000289963148 456197439 /nfs/dbraw/zinc/19/74/39/456197439.db2.gz ZDESDLQOSYSYHY-JWTNVVGKSA-N 2 1 330.472 3.317 20 30 EGEDMP C=CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000289963148 456197445 /nfs/dbraw/zinc/19/74/45/456197445.db2.gz ZDESDLQOSYSYHY-JWTNVVGKSA-N 2 1 330.472 3.317 20 30 EGEDMP O=C(Cc1cncn1Cc1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330335226 457029997 /nfs/dbraw/zinc/02/99/97/457029997.db2.gz RJPRBNYPICWYPU-MOPGFXCFSA-N 2 1 338.455 3.057 20 30 EGEDMP N#CCSCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377338288 458496520 /nfs/dbraw/zinc/49/65/20/458496520.db2.gz VZRBXMZWBSCABW-RBUKOAKNSA-N 2 1 329.513 3.087 20 30 EGEDMP N#CCSCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377338288 458496524 /nfs/dbraw/zinc/49/65/24/458496524.db2.gz VZRBXMZWBSCABW-RBUKOAKNSA-N 2 1 329.513 3.087 20 30 EGEDMP N#CCSCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377338288 458496528 /nfs/dbraw/zinc/49/65/28/458496528.db2.gz VZRBXMZWBSCABW-RBUKOAKNSA-N 2 1 329.513 3.087 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453171895 458521239 /nfs/dbraw/zinc/52/12/39/458521239.db2.gz XCQDZKKJPSUSKK-BURNTYAHSA-N 2 1 328.500 3.204 20 30 EGEDMP C=CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000439080498 458650013 /nfs/dbraw/zinc/65/00/13/458650013.db2.gz YGTMWJVIQRDXLY-NRFANRHFSA-N 2 1 327.516 3.268 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000569738482 459501965 /nfs/dbraw/zinc/50/19/65/459501965.db2.gz QTQGUZZNXFYFNW-QGZVFWFLSA-N 2 1 326.488 3.430 20 30 EGEDMP N#CCCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000565597257 459786349 /nfs/dbraw/zinc/78/63/49/459786349.db2.gz LHEHJGMMJXSGHH-UHFFFAOYSA-N 2 1 327.472 3.035 20 30 EGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccc(C#N)cn3)C2)s1 ZINC000574168996 459787751 /nfs/dbraw/zinc/78/77/51/459787751.db2.gz VNEWGAAFVNKHSO-KRWDZBQOSA-N 2 1 340.496 3.277 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593686 459956699 /nfs/dbraw/zinc/95/66/99/459956699.db2.gz VUVGBWNOCAUYJV-HKUYNNGSSA-N 2 1 335.536 3.264 20 30 EGEDMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC000598724181 460007545 /nfs/dbraw/zinc/00/75/45/460007545.db2.gz JDXYSULLRRHISW-MISYRCLQSA-N 2 1 343.515 3.177 20 30 EGEDMP N#CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000079066392 1292542040 /nfs/dbraw/zinc/54/20/40/1292542040.db2.gz AOOGRONKKINVNP-UHFFFAOYSA-N 2 1 335.451 3.343 20 30 EGEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N1CCCC1 ZINC000262457586 1296633252 /nfs/dbraw/zinc/63/32/52/1296633252.db2.gz HXUCPEWXXYGQGP-RDJZCZTQSA-N 2 1 334.533 3.192 20 30 EGEDMP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1ccccc1 ZINC000303787586 1296856521 /nfs/dbraw/zinc/85/65/21/1296856521.db2.gz SNYYESAPFFCLMP-FQEVSTJZSA-N 2 1 336.483 3.075 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])N2CCCCC2)C1 ZINC000303881453 1296866187 /nfs/dbraw/zinc/86/61/87/1296866187.db2.gz HTFBUVMAJSSXNR-QGZVFWFLSA-N 2 1 328.504 3.219 20 30 EGEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000303894506 1296872571 /nfs/dbraw/zinc/87/25/71/1296872571.db2.gz OYELCUYMMBMNCC-MRXNPFEDSA-N 2 1 328.504 3.414 20 30 EGEDMP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303909764 1296878852 /nfs/dbraw/zinc/87/88/52/1296878852.db2.gz YMLVOQAZSUBHGS-CALCHBBNSA-N 2 1 330.520 3.321 20 30 EGEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000304738039 1296937418 /nfs/dbraw/zinc/93/74/18/1296937418.db2.gz AQZJNQYLWHCGIZ-UHFFFAOYSA-N 2 1 329.448 3.186 20 30 EGEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)C1 ZINC000304990103 1296949568 /nfs/dbraw/zinc/94/95/68/1296949568.db2.gz CSPSJJCYJSEVNR-MRXNPFEDSA-N 2 1 332.492 3.178 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414278 1319518340 /nfs/dbraw/zinc/51/83/40/1319518340.db2.gz POCQWKHRLSZXNH-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414278 1319518346 /nfs/dbraw/zinc/51/83/46/1319518346.db2.gz POCQWKHRLSZXNH-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414278 1319518354 /nfs/dbraw/zinc/51/83/54/1319518354.db2.gz POCQWKHRLSZXNH-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696467 1319820105 /nfs/dbraw/zinc/82/01/05/1319820105.db2.gz NUQALFUYULWQKH-PMACEKPBSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696467 1319820117 /nfs/dbraw/zinc/82/01/17/1319820117.db2.gz NUQALFUYULWQKH-PMACEKPBSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023696467 1319820130 /nfs/dbraw/zinc/82/01/30/1319820130.db2.gz NUQALFUYULWQKH-PMACEKPBSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])NCc1ccc(C)cc1)C(C)C ZINC000849071247 1322066289 /nfs/dbraw/zinc/06/62/89/1322066289.db2.gz YUVROKRXBCRKCM-IBGZPJMESA-N 2 1 328.504 3.308 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250272 1324049925 /nfs/dbraw/zinc/04/99/25/1324049925.db2.gz ALIHQACMSYUJFK-MOPGFXCFSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250272 1324049931 /nfs/dbraw/zinc/04/99/31/1324049931.db2.gz ALIHQACMSYUJFK-MOPGFXCFSA-N 2 1 344.503 3.003 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025257660 1324064199 /nfs/dbraw/zinc/06/41/99/1324064199.db2.gz FQUDRQNPUGLJBH-RTBURBONSA-N 2 1 347.547 3.282 20 30 EGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000926126526 1325438931 /nfs/dbraw/zinc/43/89/31/1325438931.db2.gz QOOXOPNSWHDAFQ-LPHOPBHVSA-N 2 1 329.488 3.061 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885270 1328351639 /nfs/dbraw/zinc/35/16/39/1328351639.db2.gz CFOMHNRVCGUXOR-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885270 1328351652 /nfs/dbraw/zinc/35/16/52/1328351652.db2.gz CFOMHNRVCGUXOR-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885270 1328351655 /nfs/dbraw/zinc/35/16/55/1328351655.db2.gz CFOMHNRVCGUXOR-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948065146 1333361105 /nfs/dbraw/zinc/36/11/05/1333361105.db2.gz HTKYGVYQWCKUKN-HKUYNNGSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093042 1340421649 /nfs/dbraw/zinc/42/16/49/1340421649.db2.gz GMAOLQKOUKTGCO-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093042 1340421652 /nfs/dbraw/zinc/42/16/52/1340421652.db2.gz GMAOLQKOUKTGCO-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093042 1340421653 /nfs/dbraw/zinc/42/16/53/1340421653.db2.gz GMAOLQKOUKTGCO-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033081249 1341718087 /nfs/dbraw/zinc/71/80/87/1341718087.db2.gz GROYTWAGWHZCLG-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033081249 1341718088 /nfs/dbraw/zinc/71/80/88/1341718088.db2.gz GROYTWAGWHZCLG-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033081249 1341718089 /nfs/dbraw/zinc/71/80/89/1341718089.db2.gz GROYTWAGWHZCLG-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035185096 1343000336 /nfs/dbraw/zinc/00/03/36/1343000336.db2.gz SQVZTCZSTGSOTF-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377374 1345034278 /nfs/dbraw/zinc/03/42/78/1345034278.db2.gz UOQRTTWDAFNDOC-KURKYZTESA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377374 1345034281 /nfs/dbraw/zinc/03/42/81/1345034281.db2.gz UOQRTTWDAFNDOC-KURKYZTESA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241306 1345391682 /nfs/dbraw/zinc/39/16/82/1345391682.db2.gz NCDPAQYPIHRZTG-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241306 1345391685 /nfs/dbraw/zinc/39/16/85/1345391685.db2.gz NCDPAQYPIHRZTG-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241306 1345391689 /nfs/dbraw/zinc/39/16/89/1345391689.db2.gz NCDPAQYPIHRZTG-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424886 1345725262 /nfs/dbraw/zinc/72/52/62/1345725262.db2.gz QERUTUCEUYSVTL-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424886 1345725265 /nfs/dbraw/zinc/72/52/65/1345725265.db2.gz QERUTUCEUYSVTL-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424886 1345725269 /nfs/dbraw/zinc/72/52/69/1345725269.db2.gz QERUTUCEUYSVTL-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001045941013 1346777231 /nfs/dbraw/zinc/77/72/31/1346777231.db2.gz HHXANNNVIUNGHO-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045941013 1346777232 /nfs/dbraw/zinc/77/72/32/1346777232.db2.gz HHXANNNVIUNGHO-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001045941013 1346777234 /nfs/dbraw/zinc/77/72/34/1346777234.db2.gz HHXANNNVIUNGHO-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986355 1346828007 /nfs/dbraw/zinc/82/80/07/1346828007.db2.gz OHFGXSYSVWGFPR-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986355 1346828009 /nfs/dbraw/zinc/82/80/09/1346828009.db2.gz OHFGXSYSVWGFPR-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986355 1346828010 /nfs/dbraw/zinc/82/80/10/1346828010.db2.gz OHFGXSYSVWGFPR-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049563513 1347911375 /nfs/dbraw/zinc/91/13/75/1347911375.db2.gz CLHJXDDBCPHWOR-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563513 1347911378 /nfs/dbraw/zinc/91/13/78/1347911378.db2.gz CLHJXDDBCPHWOR-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563513 1347911380 /nfs/dbraw/zinc/91/13/80/1347911380.db2.gz CLHJXDDBCPHWOR-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563658 1347911705 /nfs/dbraw/zinc/91/17/05/1347911705.db2.gz GNNOXOUOLQJFMC-OALUTQOASA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563658 1347911710 /nfs/dbraw/zinc/91/17/10/1347911710.db2.gz GNNOXOUOLQJFMC-OALUTQOASA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563658 1347911715 /nfs/dbraw/zinc/91/17/15/1347911715.db2.gz GNNOXOUOLQJFMC-OALUTQOASA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049819091 1348036109 /nfs/dbraw/zinc/03/61/09/1348036109.db2.gz BPTRYGODUWMFSO-WOJBJXKFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049906806 1348104739 /nfs/dbraw/zinc/10/47/39/1348104739.db2.gz AHZFOEPNYMEYFK-VQTJNVASSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049914116 1348108851 /nfs/dbraw/zinc/10/88/51/1348108851.db2.gz MTXXHSXSPDQKFG-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049913915 1348108990 /nfs/dbraw/zinc/10/89/90/1348108990.db2.gz KDLNTDDTYWOHMD-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052793428 1348681418 /nfs/dbraw/zinc/68/14/18/1348681418.db2.gz CUNMDXXJWNZRCG-SFHVURJKSA-N 2 1 349.906 3.085 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107992 1348947666 /nfs/dbraw/zinc/94/76/66/1348947666.db2.gz OGFKDKVAFSWWEQ-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882607 1355482383 /nfs/dbraw/zinc/48/23/83/1355482383.db2.gz GONRYLPEDFXELF-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882607 1355482386 /nfs/dbraw/zinc/48/23/86/1355482386.db2.gz GONRYLPEDFXELF-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882607 1355482389 /nfs/dbraw/zinc/48/23/89/1355482389.db2.gz GONRYLPEDFXELF-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1CC ZINC001087792004 1359648878 /nfs/dbraw/zinc/64/88/78/1359648878.db2.gz IKQOXUOHCSESHU-IPMKNSEASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792004 1359648882 /nfs/dbraw/zinc/64/88/82/1359648882.db2.gz IKQOXUOHCSESHU-IPMKNSEASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1CC ZINC001087792004 1359648885 /nfs/dbraw/zinc/64/88/85/1359648885.db2.gz IKQOXUOHCSESHU-IPMKNSEASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001088412037 1359883715 /nfs/dbraw/zinc/88/37/15/1359883715.db2.gz WESLYVYUVGUJIW-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431025 1359898965 /nfs/dbraw/zinc/89/89/65/1359898965.db2.gz FRKVWWGQTOPTMQ-PMACEKPBSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC(C)(C)C1 ZINC001089400599 1360400260 /nfs/dbraw/zinc/40/02/60/1360400260.db2.gz JWRGFERJBCWFFY-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400599 1360400263 /nfs/dbraw/zinc/40/02/63/1360400263.db2.gz JWRGFERJBCWFFY-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC(C)(C)C1 ZINC001089400599 1360400266 /nfs/dbraw/zinc/40/02/66/1360400266.db2.gz JWRGFERJBCWFFY-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565228 1360511922 /nfs/dbraw/zinc/51/19/22/1360511922.db2.gz QAZDEYMZPSMYGD-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565228 1360511924 /nfs/dbraw/zinc/51/19/24/1360511924.db2.gz QAZDEYMZPSMYGD-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565228 1360511926 /nfs/dbraw/zinc/51/19/26/1360511926.db2.gz QAZDEYMZPSMYGD-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001089721815 1360624232 /nfs/dbraw/zinc/62/42/32/1360624232.db2.gz LEAXMIMSVIAMHM-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001089721815 1360624235 /nfs/dbraw/zinc/62/42/35/1360624235.db2.gz LEAXMIMSVIAMHM-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001089721815 1360624239 /nfs/dbraw/zinc/62/42/39/1360624239.db2.gz LEAXMIMSVIAMHM-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001185089839 1387616006 /nfs/dbraw/zinc/61/60/06/1387616006.db2.gz DQWDRMXYVOXTRH-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099321481 1363749008 /nfs/dbraw/zinc/74/90/08/1363749008.db2.gz XQEZFHFZDXWLPL-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321481 1363749010 /nfs/dbraw/zinc/74/90/10/1363749010.db2.gz XQEZFHFZDXWLPL-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099321481 1363749013 /nfs/dbraw/zinc/74/90/13/1363749013.db2.gz XQEZFHFZDXWLPL-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396601 1364544375 /nfs/dbraw/zinc/54/43/75/1364544375.db2.gz BEMCHOXNQSSUPM-DYXWJJEUSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101549017 1364612617 /nfs/dbraw/zinc/61/26/17/1364612617.db2.gz WPZUVQICPXCZHQ-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101590535 1364641452 /nfs/dbraw/zinc/64/14/52/1364641452.db2.gz XMBHYRVTURSRTD-SFHVURJKSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102781013 1365215306 /nfs/dbraw/zinc/21/53/06/1365215306.db2.gz ZOMOIYHRXRMJKS-QRVBRYPASA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102781013 1365215310 /nfs/dbraw/zinc/21/53/10/1365215310.db2.gz ZOMOIYHRXRMJKS-QRVBRYPASA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102781013 1365215311 /nfs/dbraw/zinc/21/53/11/1365215311.db2.gz ZOMOIYHRXRMJKS-QRVBRYPASA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086945 1365374160 /nfs/dbraw/zinc/37/41/60/1365374160.db2.gz YIDVKPKUISGRKZ-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086945 1365374163 /nfs/dbraw/zinc/37/41/63/1365374163.db2.gz YIDVKPKUISGRKZ-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086945 1365374165 /nfs/dbraw/zinc/37/41/65/1365374165.db2.gz YIDVKPKUISGRKZ-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644503 1365697973 /nfs/dbraw/zinc/69/79/73/1365697973.db2.gz CKXVIMCJQFHYTD-HSALFYBXSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103644503 1365697975 /nfs/dbraw/zinc/69/79/75/1365697975.db2.gz CKXVIMCJQFHYTD-HSALFYBXSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103644503 1365697978 /nfs/dbraw/zinc/69/79/78/1365697978.db2.gz CKXVIMCJQFHYTD-HSALFYBXSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103756022 1365766148 /nfs/dbraw/zinc/76/61/48/1365766148.db2.gz VLPUSXUKGMANMR-RTBURBONSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103756022 1365766152 /nfs/dbraw/zinc/76/61/52/1365766152.db2.gz VLPUSXUKGMANMR-RTBURBONSA-N 2 1 339.568 3.371 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103756022 1365766154 /nfs/dbraw/zinc/76/61/54/1365766154.db2.gz VLPUSXUKGMANMR-RTBURBONSA-N 2 1 339.568 3.371 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104288041 1365976567 /nfs/dbraw/zinc/97/65/67/1365976567.db2.gz RLLHYVKVOQWFLS-AQNXPRMDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001104580178 1366085207 /nfs/dbraw/zinc/08/52/07/1366085207.db2.gz VEBXUKVSSZLWTI-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105518297 1366505377 /nfs/dbraw/zinc/50/53/77/1366505377.db2.gz WELJDJSSCLWOGQ-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572182 1366538555 /nfs/dbraw/zinc/53/85/55/1366538555.db2.gz KJMRJANWUBRENE-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578516 1366542058 /nfs/dbraw/zinc/54/20/58/1366542058.db2.gz BUYSXBAIVBXBQY-LJQANCHMSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001107485320 1366986917 /nfs/dbraw/zinc/98/69/17/1366986917.db2.gz UGJDRZWEPSOVCR-UYAOXDASSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107567095 1367047432 /nfs/dbraw/zinc/04/74/32/1367047432.db2.gz JNLGNBJQKUPBBG-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107615678 1367074810 /nfs/dbraw/zinc/07/48/10/1367074810.db2.gz HSQZBWOLFPBHAR-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615678 1367074811 /nfs/dbraw/zinc/07/48/11/1367074811.db2.gz HSQZBWOLFPBHAR-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615678 1367074815 /nfs/dbraw/zinc/07/48/15/1367074815.db2.gz HSQZBWOLFPBHAR-UYAOXDASSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001109371561 1367091979 /nfs/dbraw/zinc/09/19/79/1367091979.db2.gz JTQCMDUMCCPKCO-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001109371561 1367091982 /nfs/dbraw/zinc/09/19/82/1367091982.db2.gz JTQCMDUMCCPKCO-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001109371561 1367091988 /nfs/dbraw/zinc/09/19/88/1367091988.db2.gz JTQCMDUMCCPKCO-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107646763 1367092203 /nfs/dbraw/zinc/09/22/03/1367092203.db2.gz UZRDFMUHDQSMEM-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109427075 1367115769 /nfs/dbraw/zinc/11/57/69/1367115769.db2.gz MSOSSBBRGCIJQP-XWSJACJDSA-N 2 1 337.552 3.265 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646243 1367262080 /nfs/dbraw/zinc/26/20/80/1367262080.db2.gz OQDDJSHLCVHKEH-BGTYHANMSA-N 2 1 345.487 3.031 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001109646243 1367262084 /nfs/dbraw/zinc/26/20/84/1367262084.db2.gz OQDDJSHLCVHKEH-BGTYHANMSA-N 2 1 345.487 3.031 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109718217 1367292284 /nfs/dbraw/zinc/29/22/84/1367292284.db2.gz CATONVMJEVVYNW-YRXWBPOGSA-N 2 1 335.536 3.020 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507825 1367517368 /nfs/dbraw/zinc/51/73/68/1367517368.db2.gz ONFZJWNJGZERLT-WOJBJXKFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108803313 1367605498 /nfs/dbraw/zinc/60/54/98/1367605498.db2.gz AGVRTLDWJPKNEM-FHWLQOOXSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191968283 1367651983 /nfs/dbraw/zinc/65/19/83/1367651983.db2.gz RKXQTQYFGKSNMS-GBESFXJTSA-N 2 1 337.552 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191968283 1367651987 /nfs/dbraw/zinc/65/19/87/1367651987.db2.gz RKXQTQYFGKSNMS-GBESFXJTSA-N 2 1 337.552 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191968283 1367651991 /nfs/dbraw/zinc/65/19/91/1367651991.db2.gz RKXQTQYFGKSNMS-GBESFXJTSA-N 2 1 337.552 3.220 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110550375 1367826104 /nfs/dbraw/zinc/82/61/04/1367826104.db2.gz OFLUCGUENFGLKO-ZRNYENFQSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110550375 1367826109 /nfs/dbraw/zinc/82/61/09/1367826109.db2.gz OFLUCGUENFGLKO-ZRNYENFQSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110550375 1367826111 /nfs/dbraw/zinc/82/61/11/1367826111.db2.gz OFLUCGUENFGLKO-ZRNYENFQSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192847953 1367887842 /nfs/dbraw/zinc/88/78/42/1367887842.db2.gz UUPIDWOQLQZMNM-PXNSSMCTSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110748703 1367958996 /nfs/dbraw/zinc/95/89/96/1367958996.db2.gz OVZWBKWPQXCYNA-QRVBRYPASA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748703 1367958997 /nfs/dbraw/zinc/95/89/97/1367958997.db2.gz OVZWBKWPQXCYNA-QRVBRYPASA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110748703 1367958998 /nfs/dbraw/zinc/95/89/98/1367958998.db2.gz OVZWBKWPQXCYNA-QRVBRYPASA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204931 1367966193 /nfs/dbraw/zinc/96/61/93/1367966193.db2.gz NXLGUWMNFOWWGL-FQEVSTJZSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099471 1368158504 /nfs/dbraw/zinc/15/85/04/1368158504.db2.gz IFYAPLNDKOIABS-AQNXPRMDSA-N 2 1 349.563 3.410 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227331 1368213331 /nfs/dbraw/zinc/21/33/31/1368213331.db2.gz KAPSLGZWTHJHEX-FXAWDEMLSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196154114 1368559227 /nfs/dbraw/zinc/55/92/27/1368559227.db2.gz FAUXYPZJVUOXEZ-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196154114 1368559230 /nfs/dbraw/zinc/55/92/30/1368559230.db2.gz FAUXYPZJVUOXEZ-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196154114 1368559234 /nfs/dbraw/zinc/55/92/34/1368559234.db2.gz FAUXYPZJVUOXEZ-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196200596 1368567119 /nfs/dbraw/zinc/56/71/19/1368567119.db2.gz MRRNANYLRICSBG-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196200596 1368567121 /nfs/dbraw/zinc/56/71/21/1368567121.db2.gz MRRNANYLRICSBG-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196200596 1368567124 /nfs/dbraw/zinc/56/71/24/1368567124.db2.gz MRRNANYLRICSBG-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001112382368 1368810724 /nfs/dbraw/zinc/81/07/24/1368810724.db2.gz UJRLIVOBMMVSDR-ZVDOUQERSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197484790 1368824512 /nfs/dbraw/zinc/82/45/12/1368824512.db2.gz JFYBCCMTSKJOEM-RTBURBONSA-N 2 1 337.552 3.242 20 30 EGEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197801788 1368901357 /nfs/dbraw/zinc/90/13/57/1368901357.db2.gz DAJHBQKQKYTYSF-FQEVSTJZSA-N 2 1 343.515 3.180 20 30 EGEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197801788 1368901361 /nfs/dbraw/zinc/90/13/61/1368901361.db2.gz DAJHBQKQKYTYSF-FQEVSTJZSA-N 2 1 343.515 3.180 20 30 EGEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801788 1368901362 /nfs/dbraw/zinc/90/13/62/1368901362.db2.gz DAJHBQKQKYTYSF-FQEVSTJZSA-N 2 1 343.515 3.180 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197801788 1368901366 /nfs/dbraw/zinc/90/13/66/1368901366.db2.gz DAJHBQKQKYTYSF-FQEVSTJZSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842024 1368910612 /nfs/dbraw/zinc/91/06/12/1368910612.db2.gz CWAXHBVDRZISMX-UHFFFAOYSA-N 2 1 344.503 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001197842024 1368910616 /nfs/dbraw/zinc/91/06/16/1368910616.db2.gz CWAXHBVDRZISMX-UHFFFAOYSA-N 2 1 344.503 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001186598510 1387981915 /nfs/dbraw/zinc/98/19/15/1387981915.db2.gz UAOGXJZXRWLROU-LJQANCHMSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](C2CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001186604285 1387984227 /nfs/dbraw/zinc/98/42/27/1387984227.db2.gz CNMDFOBCWHOICF-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186604285 1387984233 /nfs/dbraw/zinc/98/42/33/1387984233.db2.gz CNMDFOBCWHOICF-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)CC1 ZINC001186604285 1387984239 /nfs/dbraw/zinc/98/42/39/1387984239.db2.gz CNMDFOBCWHOICF-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200651732 1369406198 /nfs/dbraw/zinc/40/61/98/1369406198.db2.gz JMRBGUJOZXNVCY-RBUKOAKNSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044378 1369470909 /nfs/dbraw/zinc/47/09/09/1369470909.db2.gz UXIVBYIVSRSYOT-MJGOQNOKSA-N 2 1 335.536 3.185 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203026973 1369959145 /nfs/dbraw/zinc/95/91/45/1369959145.db2.gz BDPNMBZYFGCGDZ-OALUTQOASA-N 2 1 349.563 3.458 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623593 1369998840 /nfs/dbraw/zinc/99/88/40/1369998840.db2.gz BFYRLYYKJLYORT-RBAQFSTRSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114623593 1369998842 /nfs/dbraw/zinc/99/88/42/1369998842.db2.gz BFYRLYYKJLYORT-RBAQFSTRSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114623593 1369998844 /nfs/dbraw/zinc/99/88/44/1369998844.db2.gz BFYRLYYKJLYORT-RBAQFSTRSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114630035 1369999360 /nfs/dbraw/zinc/99/93/60/1369999360.db2.gz SLLOFKCJEUTHIV-RUYXUALKSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507767 1370149112 /nfs/dbraw/zinc/14/91/12/1370149112.db2.gz UYHGICZVRNTYOA-RTBURBONSA-N 2 1 349.563 3.482 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203652389 1370202180 /nfs/dbraw/zinc/20/21/80/1370202180.db2.gz UGYBYHWBSPHNST-QZTJIDSGSA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594404 1370804812 /nfs/dbraw/zinc/80/48/12/1370804812.db2.gz RJXCFQXGFMMVOP-QUCCMNQESA-N 2 1 349.563 3.290 20 30 EGEDMP CC(C)[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206598791 1371104904 /nfs/dbraw/zinc/10/49/04/1371104904.db2.gz MOLAHDIXLLIZEG-MRXNPFEDSA-N 2 1 332.467 3.116 20 30 EGEDMP CC(C)[N@@H+](Cc1ccc(N(C)C)c(C#N)c1F)[C@@H]1CCC[NH2+]CC1 ZINC001206598791 1371104907 /nfs/dbraw/zinc/10/49/07/1371104907.db2.gz MOLAHDIXLLIZEG-MRXNPFEDSA-N 2 1 332.467 3.116 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120208440 1371505675 /nfs/dbraw/zinc/50/56/75/1371505675.db2.gz ZQVKJDBEGADNDR-GOSISDBHSA-N 2 1 335.536 3.236 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208363099 1371735887 /nfs/dbraw/zinc/73/58/87/1371735887.db2.gz VOPHOWYSELHOPG-OALUTQOASA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208473674 1371781159 /nfs/dbraw/zinc/78/11/59/1371781159.db2.gz CUFKXXYMQJCDLK-WOJBJXKFSA-N 2 1 349.563 3.434 20 30 EGEDMP C[N@H+](C1CCOCC1)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208863071 1371923217 /nfs/dbraw/zinc/92/32/17/1371923217.db2.gz VMUBSSLCFOQKOB-UHFFFAOYSA-N 2 1 341.499 3.066 20 30 EGEDMP C[N@@H+](C1CCOCC1)C1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208863071 1371923222 /nfs/dbraw/zinc/92/32/22/1371923222.db2.gz VMUBSSLCFOQKOB-UHFFFAOYSA-N 2 1 341.499 3.066 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159100 1372019162 /nfs/dbraw/zinc/01/91/62/1372019162.db2.gz ULNHEAUXBRTXKN-FGTMMUONSA-N 2 1 346.519 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209159100 1372019165 /nfs/dbraw/zinc/01/91/65/1372019165.db2.gz ULNHEAUXBRTXKN-FGTMMUONSA-N 2 1 346.519 3.188 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250362 1372050710 /nfs/dbraw/zinc/05/07/10/1372050710.db2.gz DGRNSJLKMMCCAP-FHWLQOOXSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001209424126 1372102763 /nfs/dbraw/zinc/10/27/63/1372102763.db2.gz LKBDVJQQSXGLIA-UHFFFAOYSA-N 2 1 330.520 3.474 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122101584 1372174330 /nfs/dbraw/zinc/17/43/30/1372174330.db2.gz QIUACPFUDRPUOO-UFQJCFOOSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209930770 1372233783 /nfs/dbraw/zinc/23/37/83/1372233783.db2.gz GGUSSYGBQVEYQD-ROUUACIJSA-N 2 1 346.519 3.332 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001210858068 1372441477 /nfs/dbraw/zinc/44/14/77/1372441477.db2.gz RCSIMUQUHGMBGF-ICSRJNTNSA-N 2 1 335.536 3.023 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1C ZINC001214780350 1373118000 /nfs/dbraw/zinc/11/80/00/1373118000.db2.gz WEROQJQPSBFJQT-QRVBRYPASA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214856180 1373131012 /nfs/dbraw/zinc/13/10/12/1373131012.db2.gz XQNUCHNQQVPEGC-HSALFYBXSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215773966 1373236694 /nfs/dbraw/zinc/23/66/94/1373236694.db2.gz FYQALFRUGMJKHS-AQNXPRMDSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1C ZINC001216844383 1373350107 /nfs/dbraw/zinc/35/01/07/1373350107.db2.gz AGZRWMWKLKVQJK-QRVBRYPASA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216844720 1373350184 /nfs/dbraw/zinc/35/01/84/1373350184.db2.gz JBDQETYVYIWRSV-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001188246296 1388275130 /nfs/dbraw/zinc/27/51/30/1388275130.db2.gz IJTSJZCSHXWQTH-SLFFLAALSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001188246296 1388275135 /nfs/dbraw/zinc/27/51/35/1388275135.db2.gz IJTSJZCSHXWQTH-SLFFLAALSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001188246296 1388275138 /nfs/dbraw/zinc/27/51/38/1388275138.db2.gz IJTSJZCSHXWQTH-SLFFLAALSA-N 2 1 349.563 3.364 20 30 EGEDMP C=CCCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224745540 1375073242 /nfs/dbraw/zinc/07/32/42/1375073242.db2.gz BEDQMWALWBFCFM-UHFFFAOYSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132264824 1375254133 /nfs/dbraw/zinc/25/41/33/1375254133.db2.gz CADCSPJRGWWVMU-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001228604079 1375612267 /nfs/dbraw/zinc/61/22/67/1375612267.db2.gz WZEODVHUDDRPST-IPMKNSEASA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001229544383 1375853316 /nfs/dbraw/zinc/85/33/16/1375853316.db2.gz GRWRBVGCTXMNDY-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2cc(C#N)ccc21 ZINC001235430044 1376872660 /nfs/dbraw/zinc/87/26/60/1376872660.db2.gz WDVBIXXYYKVLTO-ROUUACIJSA-N 2 1 336.483 3.262 20 30 EGEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CC[NH2+]C3)C1 ZINC001235969978 1376923731 /nfs/dbraw/zinc/92/37/31/1376923731.db2.gz XDWHPNSGQAXMPX-NRFANRHFSA-N 2 1 347.462 3.247 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691780 1377185492 /nfs/dbraw/zinc/18/54/92/1377185492.db2.gz ZNAOGJVMEGTHJS-HZPDHXFCSA-N 2 1 331.932 3.124 20 30 EGEDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1 ZINC001139405656 1377880162 /nfs/dbraw/zinc/88/01/62/1377880162.db2.gz XRMLSVUZSQDSPQ-NRFANRHFSA-N 2 1 332.451 3.148 20 30 EGEDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1 ZINC001139405656 1377880164 /nfs/dbraw/zinc/88/01/64/1377880164.db2.gz XRMLSVUZSQDSPQ-NRFANRHFSA-N 2 1 332.451 3.148 20 30 EGEDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C2)C1 ZINC001139405656 1377880166 /nfs/dbraw/zinc/88/01/66/1377880166.db2.gz XRMLSVUZSQDSPQ-NRFANRHFSA-N 2 1 332.451 3.148 20 30 EGEDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001139725728 1377941927 /nfs/dbraw/zinc/94/19/27/1377941927.db2.gz YYBBKHWLTJHQTM-IRLDBZIGSA-N 2 1 346.478 3.216 20 30 EGEDMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001139725728 1377941928 /nfs/dbraw/zinc/94/19/28/1377941928.db2.gz YYBBKHWLTJHQTM-IRLDBZIGSA-N 2 1 346.478 3.216 20 30 EGEDMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001139725728 1377941929 /nfs/dbraw/zinc/94/19/29/1377941929.db2.gz YYBBKHWLTJHQTM-IRLDBZIGSA-N 2 1 346.478 3.216 20 30 EGEDMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1C#N ZINC001139725728 1377941930 /nfs/dbraw/zinc/94/19/30/1377941930.db2.gz YYBBKHWLTJHQTM-IRLDBZIGSA-N 2 1 346.478 3.216 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147741942 1379070490 /nfs/dbraw/zinc/07/04/90/1379070490.db2.gz AUIAYMIWIGWQKA-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147741942 1379070493 /nfs/dbraw/zinc/07/04/93/1379070493.db2.gz AUIAYMIWIGWQKA-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147741942 1379070498 /nfs/dbraw/zinc/07/04/98/1379070498.db2.gz AUIAYMIWIGWQKA-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001153727914 1380119436 /nfs/dbraw/zinc/11/94/36/1380119436.db2.gz HSLOAIBDPAYVPT-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153727914 1380119437 /nfs/dbraw/zinc/11/94/37/1380119437.db2.gz HSLOAIBDPAYVPT-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001153727914 1380119438 /nfs/dbraw/zinc/11/94/38/1380119438.db2.gz HSLOAIBDPAYVPT-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001156305501 1380555403 /nfs/dbraw/zinc/55/54/03/1380555403.db2.gz BDENKUIQZWXXPB-SJORKVTESA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001156305501 1380555405 /nfs/dbraw/zinc/55/54/05/1380555405.db2.gz BDENKUIQZWXXPB-SJORKVTESA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156305501 1380555407 /nfs/dbraw/zinc/55/54/07/1380555407.db2.gz BDENKUIQZWXXPB-SJORKVTESA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001156305501 1380555416 /nfs/dbraw/zinc/55/54/16/1380555416.db2.gz BDENKUIQZWXXPB-SJORKVTESA-N 2 1 343.943 3.220 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157118580 1380779432 /nfs/dbraw/zinc/77/94/32/1380779432.db2.gz IMEBKHYRVHOMTC-RTBURBONSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001157973451 1381088214 /nfs/dbraw/zinc/08/82/14/1381088214.db2.gz DKXLCMJHKUQJQK-QZTJIDSGSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001157973451 1381088217 /nfs/dbraw/zinc/08/82/17/1381088217.db2.gz DKXLCMJHKUQJQK-QZTJIDSGSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001158117869 1381133716 /nfs/dbraw/zinc/13/37/16/1381133716.db2.gz MMURLDYCGPDAAI-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](CCC)CCC ZINC001158739879 1381377669 /nfs/dbraw/zinc/37/76/69/1381377669.db2.gz WXUJSGWKDPHCQM-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159911383 1381935322 /nfs/dbraw/zinc/93/53/22/1381935322.db2.gz XYLGXCZVDBRXQX-IBGZPJMESA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952704 1382569403 /nfs/dbraw/zinc/56/94/03/1382569403.db2.gz JPBBCZJSXHEHKO-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001163177398 1382985082 /nfs/dbraw/zinc/98/50/82/1382985082.db2.gz HFZRJGRIUCVSSG-CWJKEVGVSA-N 2 1 341.499 3.046 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165473229 1383300224 /nfs/dbraw/zinc/30/02/24/1383300224.db2.gz XXWOQKHBOZRDMP-GOSISDBHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001165895355 1383359896 /nfs/dbraw/zinc/35/98/96/1383359896.db2.gz YWCJGPVJOBMFFM-UHFFFAOYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001166391339 1383418299 /nfs/dbraw/zinc/41/82/99/1383418299.db2.gz RRBYEHYAJBMISP-UHFFFAOYSA-N 2 1 349.563 3.483 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001166687264 1383460794 /nfs/dbraw/zinc/46/07/94/1383460794.db2.gz LHGIMGWZBMEAJZ-IBGZPJMESA-N 2 1 343.531 3.265 20 30 EGEDMP Cc1ccc(CC#N)c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)[nH+]1 ZINC001167162506 1383556087 /nfs/dbraw/zinc/55/60/87/1383556087.db2.gz LBSQFMFHGCMKSI-UHFFFAOYSA-N 2 1 332.451 3.098 20 30 EGEDMP Cc1[nH+]c(N2Cc3ccccc3C3(CC[NH2+]CC3)C2)ccc1CC#N ZINC001167161924 1383556210 /nfs/dbraw/zinc/55/62/10/1383556210.db2.gz CMSNWSYISJGXKX-UHFFFAOYSA-N 2 1 332.451 3.098 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385801 1383618768 /nfs/dbraw/zinc/61/87/68/1383618768.db2.gz UFEJOUUAUHONLT-SFHVURJKSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385634 1383619095 /nfs/dbraw/zinc/61/90/95/1383619095.db2.gz LQDYHXCUKUQNQO-OALUTQOASA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001167709643 1383719299 /nfs/dbraw/zinc/71/92/99/1383719299.db2.gz AVKZVZIEBULECA-IBGZPJMESA-N 2 1 343.515 3.132 20 30 EGEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](C)CCC[NH+](CC)CC)C2 ZINC001167827031 1383751194 /nfs/dbraw/zinc/75/11/94/1383751194.db2.gz ROYTZXINOUYMDY-AABGKKOBSA-N 2 1 338.536 3.323 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001171647187 1384591885 /nfs/dbraw/zinc/59/18/85/1384591885.db2.gz TVSNJHCPHOXQTK-OALUTQOASA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171822634 1384651479 /nfs/dbraw/zinc/65/14/79/1384651479.db2.gz ZCRFQMZFWKLNEP-KRWDZBQOSA-N 2 1 334.508 3.203 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120212 1384732396 /nfs/dbraw/zinc/73/23/96/1384732396.db2.gz ATOVOHGPOHMHDA-XODKDNOYSA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120212 1384732398 /nfs/dbraw/zinc/73/23/98/1384732398.db2.gz ATOVOHGPOHMHDA-XODKDNOYSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120212 1384732400 /nfs/dbraw/zinc/73/24/00/1384732400.db2.gz ATOVOHGPOHMHDA-XODKDNOYSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120212 1384732401 /nfs/dbraw/zinc/73/24/01/1384732401.db2.gz ATOVOHGPOHMHDA-XODKDNOYSA-N 2 1 339.483 3.417 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116634 1384732908 /nfs/dbraw/zinc/73/29/08/1384732908.db2.gz LYFIHCIWJGSUSB-PXCRPINLSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116634 1384732911 /nfs/dbraw/zinc/73/29/11/1384732911.db2.gz LYFIHCIWJGSUSB-PXCRPINLSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116634 1384732915 /nfs/dbraw/zinc/73/29/15/1384732915.db2.gz LYFIHCIWJGSUSB-PXCRPINLSA-N 2 1 345.531 3.035 20 30 EGEDMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)CCCC#N)CC[C@@H]21 ZINC001172493365 1384804133 /nfs/dbraw/zinc/80/41/33/1384804133.db2.gz AHUKQBDMNBPMTJ-YRPNKDGESA-N 2 1 343.519 3.139 20 30 EGEDMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+]([C@@H](C)CCCC#N)CC[C@@H]21 ZINC001172493365 1384804137 /nfs/dbraw/zinc/80/41/37/1384804137.db2.gz AHUKQBDMNBPMTJ-YRPNKDGESA-N 2 1 343.519 3.139 20 30 EGEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+]([C@@H](C)CCCC#N)CC[C@@H]21 ZINC001172493365 1384804139 /nfs/dbraw/zinc/80/41/39/1384804139.db2.gz AHUKQBDMNBPMTJ-YRPNKDGESA-N 2 1 343.519 3.139 20 30 EGEDMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+]([C@@H](C)CCCC#N)CC[C@@H]21 ZINC001172493365 1384804142 /nfs/dbraw/zinc/80/41/42/1384804142.db2.gz AHUKQBDMNBPMTJ-YRPNKDGESA-N 2 1 343.519 3.139 20 30 EGEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882640 1385164813 /nfs/dbraw/zinc/16/48/13/1385164813.db2.gz VERGLPLWOQYRAB-ICSRJNTNSA-N 2 1 347.547 3.071 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175263476 1385233721 /nfs/dbraw/zinc/23/37/21/1385233721.db2.gz QAZMAZFIPFWWDX-VQIMIIECSA-N 2 1 341.515 3.040 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001175574341 1385336252 /nfs/dbraw/zinc/33/62/52/1385336252.db2.gz VIJXSABLXZFRKW-OALUTQOASA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368534 1385931652 /nfs/dbraw/zinc/93/16/52/1385931652.db2.gz KWOSRQBTYQNAPQ-UHFFFAOYSA-N 2 1 346.519 3.156 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440934 1385958057 /nfs/dbraw/zinc/95/80/57/1385958057.db2.gz UUDOBIXVVLSNQN-WOJBJXKFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468885 1386227447 /nfs/dbraw/zinc/22/74/47/1386227447.db2.gz YISGDIKCEONIDG-MOPGFXCFSA-N 2 1 337.552 3.480 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689651 1386278748 /nfs/dbraw/zinc/27/87/48/1386278748.db2.gz UOUWQEFHLQSZFI-FHWLQOOXSA-N 2 1 337.552 3.409 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693339 1386279613 /nfs/dbraw/zinc/27/96/13/1386279613.db2.gz NMRMFEPOZPPJBC-IBGZPJMESA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001180060480 1386682789 /nfs/dbraw/zinc/68/27/89/1386682789.db2.gz DGXSZLVQXUCHPC-LJQANCHMSA-N 2 1 337.552 3.341 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369662 1386777150 /nfs/dbraw/zinc/77/71/50/1386777150.db2.gz RHQCPNRVDRHJTA-UHFFFAOYSA-N 2 1 325.541 3.339 20 30 EGEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001182345507 1387153458 /nfs/dbraw/zinc/15/34/58/1387153458.db2.gz BIRKZQNXIDHZET-YFVAEKQCSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc(OC)c1O ZINC001345957674 1390897253 /nfs/dbraw/zinc/89/72/53/1390897253.db2.gz YMUVXKLDEBYJOX-UHFFFAOYSA-N 2 1 330.472 3.095 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001752833705 1440226597 /nfs/dbraw/zinc/22/65/97/1440226597.db2.gz IZABOAPKLSPNGR-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001752833705 1440226598 /nfs/dbraw/zinc/22/65/98/1440226598.db2.gz IZABOAPKLSPNGR-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001752833705 1440226599 /nfs/dbraw/zinc/22/65/99/1440226599.db2.gz IZABOAPKLSPNGR-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753358170 1440381021 /nfs/dbraw/zinc/38/10/21/1440381021.db2.gz KZKIFJKDIWKDKH-QUCCMNQESA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753358170 1440381022 /nfs/dbraw/zinc/38/10/22/1440381022.db2.gz KZKIFJKDIWKDKH-QUCCMNQESA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753358170 1440381023 /nfs/dbraw/zinc/38/10/23/1440381023.db2.gz KZKIFJKDIWKDKH-QUCCMNQESA-N 2 1 343.515 3.036 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001753447779 1440404808 /nfs/dbraw/zinc/40/48/08/1440404808.db2.gz GJTOBFUOVSISRE-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753447779 1440404809 /nfs/dbraw/zinc/40/48/09/1440404809.db2.gz GJTOBFUOVSISRE-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753447779 1440404810 /nfs/dbraw/zinc/40/48/10/1440404810.db2.gz GJTOBFUOVSISRE-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753447779 1440404811 /nfs/dbraw/zinc/40/48/11/1440404811.db2.gz GJTOBFUOVSISRE-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001754344238 1440589461 /nfs/dbraw/zinc/58/94/61/1440589461.db2.gz BTHRCGBRIOGSTF-PKOBYXMFSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001754567681 1440636067 /nfs/dbraw/zinc/63/60/67/1440636067.db2.gz RJMGAUQAKJCYDB-FPOVZHCZSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001754567681 1440636068 /nfs/dbraw/zinc/63/60/68/1440636068.db2.gz RJMGAUQAKJCYDB-FPOVZHCZSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001754567681 1440636069 /nfs/dbraw/zinc/63/60/69/1440636069.db2.gz RJMGAUQAKJCYDB-FPOVZHCZSA-N 2 1 349.563 3.223 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001754868464 1440704061 /nfs/dbraw/zinc/70/40/61/1440704061.db2.gz LPCDVAQNOOWTRV-MOPGFXCFSA-N 2 1 344.503 3.003 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1C ZINC001754868464 1440704062 /nfs/dbraw/zinc/70/40/62/1440704062.db2.gz LPCDVAQNOOWTRV-MOPGFXCFSA-N 2 1 344.503 3.003 20 30 EGEDMP C=CCCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001755079208 1440750325 /nfs/dbraw/zinc/75/03/25/1440750325.db2.gz YWBLIZNZOZEPHV-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001755079208 1440750326 /nfs/dbraw/zinc/75/03/26/1440750326.db2.gz YWBLIZNZOZEPHV-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001755079208 1440750327 /nfs/dbraw/zinc/75/03/27/1440750327.db2.gz YWBLIZNZOZEPHV-FPOVZHCZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001755275357 1440798769 /nfs/dbraw/zinc/79/87/69/1440798769.db2.gz UXLFZEQSNUNLLN-MHJFOBGBSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001755763296 1440915402 /nfs/dbraw/zinc/91/54/02/1440915402.db2.gz QLBGGPXWJWHUKC-RTBURBONSA-N 2 1 343.515 3.082 20 30 EGEDMP N#Cc1ccc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246523191 141013000 /nfs/dbraw/zinc/01/30/00/141013000.db2.gz IYFSQOMQRFLDET-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246523191 141013001 /nfs/dbraw/zinc/01/30/01/141013001.db2.gz IYFSQOMQRFLDET-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246523191 141013002 /nfs/dbraw/zinc/01/30/02/141013002.db2.gz IYFSQOMQRFLDET-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246523191 141013003 /nfs/dbraw/zinc/01/30/03/141013003.db2.gz IYFSQOMQRFLDET-GHTZIAJQSA-N 2 1 339.483 3.276 20 30 EGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544709 266155174 /nfs/dbraw/zinc/15/51/74/266155174.db2.gz YYCYGVBJSHESLK-HIFRSBDPSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544709 266155177 /nfs/dbraw/zinc/15/51/77/266155177.db2.gz YYCYGVBJSHESLK-HIFRSBDPSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C[C@H]1C ZINC000329544709 266155181 /nfs/dbraw/zinc/15/51/81/266155181.db2.gz YYCYGVBJSHESLK-HIFRSBDPSA-N 2 1 334.489 3.402 20 30 EGEDMP C=CCOc1ccccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121777502 454475367 /nfs/dbraw/zinc/47/53/67/454475367.db2.gz BYTFTQDOCIXICQ-UHFFFAOYSA-N 2 1 325.456 3.440 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000247082601 455556810 /nfs/dbraw/zinc/55/68/10/455556810.db2.gz NOQLDGLEBYOEIH-QKLQHJQFSA-N 2 1 329.488 3.346 20 30 EGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270592323 455991133 /nfs/dbraw/zinc/99/11/33/455991133.db2.gz SULKEXALXYRLBB-DOMZBBRYSA-N 2 1 340.874 3.175 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273308392 456222844 /nfs/dbraw/zinc/22/28/44/456222844.db2.gz TUBJUSGKHQHIQZ-SJLPKXTDSA-N 2 1 327.472 3.332 20 30 EGEDMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000281574027 456268636 /nfs/dbraw/zinc/26/86/36/456268636.db2.gz CTRYRLHVGVWJLW-YJBOKZPZSA-N 2 1 327.472 3.309 20 30 EGEDMP C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337201071 456338776 /nfs/dbraw/zinc/33/87/76/456338776.db2.gz FPMWJMTUXDCFDF-QZTJIDSGSA-N 2 1 333.520 3.330 20 30 EGEDMP C=C[C@](C)(CC)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000353120018 456502991 /nfs/dbraw/zinc/50/29/91/456502991.db2.gz DQLLTKMYKSTXMV-OAQYLSRUSA-N 2 1 349.563 3.243 20 30 EGEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(C)(C)CCC#N ZINC000348547190 456757780 /nfs/dbraw/zinc/75/77/80/456757780.db2.gz DXTBDXKIJXLEEJ-UHFFFAOYSA-N 2 1 342.531 3.066 20 30 EGEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329821806 456946152 /nfs/dbraw/zinc/94/61/52/456946152.db2.gz APYAFAAHSKEULX-QLFBSQMISA-N 2 1 332.492 3.325 20 30 EGEDMP C=CCc1cc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc(OC)c1O ZINC000359472050 457087538 /nfs/dbraw/zinc/08/75/38/457087538.db2.gz JVQGJEYWVLRIFP-UHFFFAOYSA-N 2 1 340.467 3.480 20 30 EGEDMP C=CCc1cc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc(OC)c1O ZINC000359472050 457087540 /nfs/dbraw/zinc/08/75/40/457087540.db2.gz JVQGJEYWVLRIFP-UHFFFAOYSA-N 2 1 340.467 3.480 20 30 EGEDMP C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1c[nH+]ccc1N ZINC000423000162 458429641 /nfs/dbraw/zinc/42/96/41/458429641.db2.gz YVOFVKZUNRDNER-OOHWJJMZSA-N 2 1 336.439 3.407 20 30 EGEDMP CC1(C#N)CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423364882 458431668 /nfs/dbraw/zinc/43/16/68/458431668.db2.gz KBMMLWAPXWDAJI-KNJJTBQFSA-N 2 1 333.426 3.472 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000377885202 458563293 /nfs/dbraw/zinc/56/32/93/458563293.db2.gz RQWJAOVTTOHTAB-QFBILLFUSA-N 2 1 327.472 3.141 20 30 EGEDMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000471000391 458674059 /nfs/dbraw/zinc/67/40/59/458674059.db2.gz FXJCPZSDNBKGPY-SZPZYZBQSA-N 2 1 331.463 3.431 20 30 EGEDMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000471000391 458674065 /nfs/dbraw/zinc/67/40/65/458674065.db2.gz FXJCPZSDNBKGPY-SZPZYZBQSA-N 2 1 331.463 3.431 20 30 EGEDMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000471000391 458674070 /nfs/dbraw/zinc/67/40/70/458674070.db2.gz FXJCPZSDNBKGPY-SZPZYZBQSA-N 2 1 331.463 3.431 20 30 EGEDMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1C#N ZINC000471000391 458674074 /nfs/dbraw/zinc/67/40/74/458674074.db2.gz FXJCPZSDNBKGPY-SZPZYZBQSA-N 2 1 331.463 3.431 20 30 EGEDMP C=CC[C@H](C)[C@H](C)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000558274279 459143897 /nfs/dbraw/zinc/14/38/97/459143897.db2.gz QDGYSHMGJGNNCF-HOTGVXAUSA-N 2 1 342.487 3.450 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621751244 460047700 /nfs/dbraw/zinc/04/77/00/460047700.db2.gz CGMWJFAQPDLQAP-IBGZPJMESA-N 2 1 327.472 3.114 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC000623361761 460510542 /nfs/dbraw/zinc/51/05/42/460510542.db2.gz NWWTZBQMXZOSJV-CQSZACIVSA-N 2 1 338.879 3.345 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1OC ZINC000623361761 460510549 /nfs/dbraw/zinc/51/05/49/460510549.db2.gz NWWTZBQMXZOSJV-CQSZACIVSA-N 2 1 338.879 3.345 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000834773716 1293145711 /nfs/dbraw/zinc/14/57/11/1293145711.db2.gz JCPCPHUWWAPVBP-YPAWHYETSA-N 2 1 346.478 3.486 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000834773716 1293145717 /nfs/dbraw/zinc/14/57/17/1293145717.db2.gz JCPCPHUWWAPVBP-YPAWHYETSA-N 2 1 346.478 3.486 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@H]2CC[N@H+](CCC)C2)ccc1OC ZINC000127286191 1293558414 /nfs/dbraw/zinc/55/84/14/1293558414.db2.gz UEXHFQITMAZHCI-GOSISDBHSA-N 2 1 332.488 3.472 20 30 EGEDMP CCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134549621 1293775162 /nfs/dbraw/zinc/77/51/62/1293775162.db2.gz VMNCZBUWMFVTNE-XJKSGUPXSA-N 2 1 340.874 3.176 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1O ZINC000173492080 1294463598 /nfs/dbraw/zinc/46/35/98/1294463598.db2.gz AKOHUKOODOIFIY-INIZCTEOSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1O ZINC000173492080 1294463600 /nfs/dbraw/zinc/46/36/00/1294463600.db2.gz AKOHUKOODOIFIY-INIZCTEOSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1O ZINC000173492080 1294463604 /nfs/dbraw/zinc/46/36/04/1294463604.db2.gz AKOHUKOODOIFIY-INIZCTEOSA-N 2 1 332.488 3.293 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000303901544 1296876852 /nfs/dbraw/zinc/87/68/52/1296876852.db2.gz XLTOSJZHMHMIDX-LJQANCHMSA-N 2 1 336.483 3.286 20 30 EGEDMP CN(C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000402403809 1297746095 /nfs/dbraw/zinc/74/60/95/1297746095.db2.gz RYUJVUUWTORFOT-IFMALSPDSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000402403809 1297746100 /nfs/dbraw/zinc/74/61/00/1297746100.db2.gz RYUJVUUWTORFOT-IFMALSPDSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000402403809 1297746106 /nfs/dbraw/zinc/74/61/06/1297746106.db2.gz RYUJVUUWTORFOT-IFMALSPDSA-N 2 1 349.478 3.046 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769517119 1303133137 /nfs/dbraw/zinc/13/31/37/1303133137.db2.gz YUTHKQBPCZWHAY-HXUWFJFHSA-N 2 1 340.515 3.200 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769517119 1303133144 /nfs/dbraw/zinc/13/31/44/1303133144.db2.gz YUTHKQBPCZWHAY-HXUWFJFHSA-N 2 1 340.515 3.200 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000769517119 1303133147 /nfs/dbraw/zinc/13/31/47/1303133147.db2.gz YUTHKQBPCZWHAY-HXUWFJFHSA-N 2 1 340.515 3.200 20 30 EGEDMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000774186061 1303784879 /nfs/dbraw/zinc/78/48/79/1303784879.db2.gz KHVPSKUNNLVVJV-PMACEKPBSA-N 2 1 327.472 3.242 20 30 EGEDMP C#CCSCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000781421613 1304824979 /nfs/dbraw/zinc/82/49/79/1304824979.db2.gz HTCSWFOZKOKMNB-XUVXKRRUSA-N 2 1 328.525 3.243 20 30 EGEDMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccc(C#N)c1 ZINC000902745992 1317611251 /nfs/dbraw/zinc/61/12/51/1317611251.db2.gz YIBRLOYSCUCZOO-FQEVSTJZSA-N 2 1 328.504 3.017 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000813327040 1318533738 /nfs/dbraw/zinc/53/37/38/1318533738.db2.gz YOSPZKDUVIEXIU-NQIIRXRSSA-N 2 1 327.516 3.280 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000813327040 1318533740 /nfs/dbraw/zinc/53/37/40/1318533740.db2.gz YOSPZKDUVIEXIU-NQIIRXRSSA-N 2 1 327.516 3.280 20 30 EGEDMP C[C@H](CC(C)(C)C#N)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000924643841 1323090230 /nfs/dbraw/zinc/09/02/30/1323090230.db2.gz QWNUJLLYJVSPHG-UYAOXDASSA-N 2 1 342.531 3.283 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CC(C)(C)C#N)CC2)oc1C ZINC000925040722 1323254176 /nfs/dbraw/zinc/25/41/76/1323254176.db2.gz VTSIHBRBDZMPTJ-AWEZNQCLSA-N 2 1 332.492 3.421 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024439727 1323401994 /nfs/dbraw/zinc/40/19/94/1323401994.db2.gz FJMLZTBSSLBRLC-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024439727 1323401997 /nfs/dbraw/zinc/40/19/97/1323401997.db2.gz FJMLZTBSSLBRLC-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024439727 1323402000 /nfs/dbraw/zinc/40/20/00/1323402000.db2.gz FJMLZTBSSLBRLC-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231146 1324016890 /nfs/dbraw/zinc/01/68/90/1324016890.db2.gz GNYVEIFETYGJHM-OALUTQOASA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630672 1324482270 /nfs/dbraw/zinc/48/22/70/1324482270.db2.gz UUVBCWSSNMQKBE-MSOLQXFVSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000948416998 1333517174 /nfs/dbraw/zinc/51/71/74/1333517174.db2.gz URQZSCJRPOLCDY-KRWDZBQOSA-N 2 1 349.544 3.312 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423616 1333520019 /nfs/dbraw/zinc/52/00/19/1333520019.db2.gz BFYJRTZROACCCT-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423616 1333520020 /nfs/dbraw/zinc/52/00/20/1333520020.db2.gz BFYJRTZROACCCT-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423616 1333520024 /nfs/dbraw/zinc/52/00/24/1333520024.db2.gz BFYJRTZROACCCT-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876985 1336075935 /nfs/dbraw/zinc/07/59/35/1336075935.db2.gz NCFBSGBOJWFBJX-QGZVFWFLSA-N 2 1 349.544 3.360 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968876985 1336075938 /nfs/dbraw/zinc/07/59/38/1336075938.db2.gz NCFBSGBOJWFBJX-QGZVFWFLSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009165192 1336980066 /nfs/dbraw/zinc/98/00/66/1336980066.db2.gz BWGPMEWEYGNWND-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009165192 1336980069 /nfs/dbraw/zinc/98/00/69/1336980069.db2.gz BWGPMEWEYGNWND-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009165192 1336980072 /nfs/dbraw/zinc/98/00/72/1336980072.db2.gz BWGPMEWEYGNWND-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001039387079 1345039503 /nfs/dbraw/zinc/03/95/03/1345039503.db2.gz QRIXGHBGRJTFAR-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387079 1345039505 /nfs/dbraw/zinc/03/95/05/1345039505.db2.gz QRIXGHBGRJTFAR-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039387079 1345039507 /nfs/dbraw/zinc/03/95/07/1345039507.db2.gz QRIXGHBGRJTFAR-AABGKKOBSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041722798 1345831430 /nfs/dbraw/zinc/83/14/30/1345831430.db2.gz AGANSZZNCMTIFB-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722798 1345831431 /nfs/dbraw/zinc/83/14/31/1345831431.db2.gz AGANSZZNCMTIFB-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041722798 1345831433 /nfs/dbraw/zinc/83/14/33/1345831433.db2.gz AGANSZZNCMTIFB-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045941015 1346777251 /nfs/dbraw/zinc/77/72/51/1346777251.db2.gz HHXANNNVIUNGHO-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045941015 1346777252 /nfs/dbraw/zinc/77/72/52/1346777252.db2.gz HHXANNNVIUNGHO-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045941015 1346777253 /nfs/dbraw/zinc/77/72/53/1346777253.db2.gz HHXANNNVIUNGHO-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001045986358 1346827426 /nfs/dbraw/zinc/82/74/26/1346827426.db2.gz OHFGXSYSVWGFPR-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986358 1346827428 /nfs/dbraw/zinc/82/74/28/1346827428.db2.gz OHFGXSYSVWGFPR-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001045986358 1346827431 /nfs/dbraw/zinc/82/74/31/1346827431.db2.gz OHFGXSYSVWGFPR-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC001048583843 1347605799 /nfs/dbraw/zinc/60/57/99/1347605799.db2.gz RTGZZFIUIZDMDX-SWBPCFCJSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486134 1347871593 /nfs/dbraw/zinc/87/15/93/1347871593.db2.gz QNHYZUPTQLTLTN-OKZBNKHCSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001049486134 1347871595 /nfs/dbraw/zinc/87/15/95/1347871595.db2.gz QNHYZUPTQLTLTN-OKZBNKHCSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317867 1357572533 /nfs/dbraw/zinc/57/25/33/1357572533.db2.gz DKZXAPVJFLCNDS-MISYRCLQSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080317867 1357572534 /nfs/dbraw/zinc/57/25/34/1357572534.db2.gz DKZXAPVJFLCNDS-MISYRCLQSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080317867 1357572536 /nfs/dbraw/zinc/57/25/36/1357572536.db2.gz DKZXAPVJFLCNDS-MISYRCLQSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071629212 1354812954 /nfs/dbraw/zinc/81/29/54/1354812954.db2.gz XFGAHUWKTVTCGS-DOTOQJQBSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183221413 1387281725 /nfs/dbraw/zinc/28/17/25/1387281725.db2.gz HPIXCOKRRCMVFU-QWFCFKBJSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472344 1360455394 /nfs/dbraw/zinc/45/53/94/1360455394.db2.gz GQRZOFSOJGDOKO-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472344 1360455395 /nfs/dbraw/zinc/45/53/95/1360455395.db2.gz GQRZOFSOJGDOKO-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472344 1360455397 /nfs/dbraw/zinc/45/53/97/1360455397.db2.gz GQRZOFSOJGDOKO-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089509359 1360480805 /nfs/dbraw/zinc/48/08/05/1360480805.db2.gz BFOYOXPEGAZAJC-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509543 1360480898 /nfs/dbraw/zinc/48/08/98/1360480898.db2.gz JEFWDHYGRHIXRS-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001089662286 1360572430 /nfs/dbraw/zinc/57/24/30/1360572430.db2.gz AXVLVYNOPDLHFW-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662286 1360572433 /nfs/dbraw/zinc/57/24/33/1360572433.db2.gz AXVLVYNOPDLHFW-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001089662286 1360572435 /nfs/dbraw/zinc/57/24/35/1360572435.db2.gz AXVLVYNOPDLHFW-MOPGFXCFSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089707621 1360610949 /nfs/dbraw/zinc/61/09/49/1360610949.db2.gz OPLPKKKOBJXRNB-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089707621 1360610952 /nfs/dbraw/zinc/61/09/52/1360610952.db2.gz OPLPKKKOBJXRNB-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089707621 1360610955 /nfs/dbraw/zinc/61/09/55/1360610955.db2.gz OPLPKKKOBJXRNB-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC001094551762 1361855490 /nfs/dbraw/zinc/85/54/90/1361855490.db2.gz MGBCWAWMPNQPAD-TZIWHRDSSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001095904030 1362280323 /nfs/dbraw/zinc/28/03/23/1362280323.db2.gz XKXOTNDCJIQOMB-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001095904030 1362280328 /nfs/dbraw/zinc/28/03/28/1362280328.db2.gz XKXOTNDCJIQOMB-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001095904030 1362280332 /nfs/dbraw/zinc/28/03/32/1362280332.db2.gz XKXOTNDCJIQOMB-FUMNGEBKSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168066 1387631584 /nfs/dbraw/zinc/63/15/84/1387631584.db2.gz GAAQDDDTUOXBIV-MSOLQXFVSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069649 1363605748 /nfs/dbraw/zinc/60/57/48/1363605748.db2.gz KOHZCKVCGHNZJD-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106524 1363624941 /nfs/dbraw/zinc/62/49/41/1363624941.db2.gz IFTDBIOHZVIRNN-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106524 1363624942 /nfs/dbraw/zinc/62/49/42/1363624942.db2.gz IFTDBIOHZVIRNN-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106524 1363624943 /nfs/dbraw/zinc/62/49/43/1363624943.db2.gz IFTDBIOHZVIRNN-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099166427 1363666286 /nfs/dbraw/zinc/66/62/86/1363666286.db2.gz WBNOUNSYMPYLIK-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001099228923 1363702087 /nfs/dbraw/zinc/70/20/87/1363702087.db2.gz CZKAITHZDYTDFL-ZWKOTPCHSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099355169 1363769206 /nfs/dbraw/zinc/76/92/06/1363769206.db2.gz YGMHFKQTCBUGRM-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729989 1364238056 /nfs/dbraw/zinc/23/80/56/1364238056.db2.gz ZCCZDMAMQZIJJL-MHJFOBGBSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001185317417 1387681412 /nfs/dbraw/zinc/68/14/12/1387681412.db2.gz PHLGEXCGHYECAL-RBUKOAKNSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364087 1364528540 /nfs/dbraw/zinc/52/85/40/1364528540.db2.gz MXWDBUGVHRGYFO-ZVDOUQERSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364087 1364528543 /nfs/dbraw/zinc/52/85/43/1364528543.db2.gz MXWDBUGVHRGYFO-ZVDOUQERSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001101364087 1364528547 /nfs/dbraw/zinc/52/85/47/1364528547.db2.gz MXWDBUGVHRGYFO-ZVDOUQERSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101419596 1364553736 /nfs/dbraw/zinc/55/37/36/1364553736.db2.gz QWPOAJIHUGOEPL-QUCCMNQESA-N 2 1 337.552 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101419596 1364553737 /nfs/dbraw/zinc/55/37/37/1364553737.db2.gz QWPOAJIHUGOEPL-QUCCMNQESA-N 2 1 337.552 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101419596 1364553742 /nfs/dbraw/zinc/55/37/42/1364553742.db2.gz QWPOAJIHUGOEPL-QUCCMNQESA-N 2 1 337.552 3.079 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001101573921 1364628565 /nfs/dbraw/zinc/62/85/65/1364628565.db2.gz KBEHVGOCYWLVQJ-GOSISDBHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001101591298 1364642195 /nfs/dbraw/zinc/64/21/95/1364642195.db2.gz QSRVTWGRKHNXRQ-UHFFFAOYSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520930 1365097182 /nfs/dbraw/zinc/09/71/82/1365097182.db2.gz IGLIAQUJODZZSO-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524703 1365098860 /nfs/dbraw/zinc/09/88/60/1365098860.db2.gz RQKNFQVYEMCWKA-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524703 1365098863 /nfs/dbraw/zinc/09/88/63/1365098863.db2.gz RQKNFQVYEMCWKA-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CCC)[C@H](C)C1 ZINC001102524703 1365098869 /nfs/dbraw/zinc/09/88/69/1365098869.db2.gz RQKNFQVYEMCWKA-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001103360548 1365517220 /nfs/dbraw/zinc/51/72/20/1365517220.db2.gz JVEOYXDPTAUHMU-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001103360548 1365517223 /nfs/dbraw/zinc/51/72/23/1365517223.db2.gz JVEOYXDPTAUHMU-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001103360548 1365517227 /nfs/dbraw/zinc/51/72/27/1365517227.db2.gz JVEOYXDPTAUHMU-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999929 1365867538 /nfs/dbraw/zinc/86/75/38/1365867538.db2.gz PIUGLHURBQIBLO-GUDVDZBRSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001104213612 1365954693 /nfs/dbraw/zinc/95/46/93/1365954693.db2.gz HHHJTVMUPQJGPG-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753739 1366157946 /nfs/dbraw/zinc/15/79/46/1366157946.db2.gz QLWUPFZNPHQYAP-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001105537557 1366517155 /nfs/dbraw/zinc/51/71/55/1366517155.db2.gz TZNJRWFCPQUTAB-MOPGFXCFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579691 1366543139 /nfs/dbraw/zinc/54/31/39/1366543139.db2.gz SWJDYUHYOZFRNK-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566563 1367047767 /nfs/dbraw/zinc/04/77/67/1367047767.db2.gz AGAZXQKPJKKGOG-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643429 1367260305 /nfs/dbraw/zinc/26/03/05/1367260305.db2.gz GSTVKXLORVPEBE-KNJMJIDISA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643429 1367260306 /nfs/dbraw/zinc/26/03/06/1367260306.db2.gz GSTVKXLORVPEBE-KNJMJIDISA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643429 1367260308 /nfs/dbraw/zinc/26/03/08/1367260308.db2.gz GSTVKXLORVPEBE-KNJMJIDISA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551642 1367526210 /nfs/dbraw/zinc/52/62/10/1367526210.db2.gz OWNPRWLYIUKPLT-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551642 1367526216 /nfs/dbraw/zinc/52/62/16/1367526216.db2.gz OWNPRWLYIUKPLT-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551642 1367526220 /nfs/dbraw/zinc/52/62/20/1367526220.db2.gz OWNPRWLYIUKPLT-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780670 1367592236 /nfs/dbraw/zinc/59/22/36/1367592236.db2.gz JESQKZUJYDPPPP-ZCNNSNEGSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108791392 1367598461 /nfs/dbraw/zinc/59/84/61/1367598461.db2.gz SRQUPNMPNLDZOT-FHWLQOOXSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@@H+](C)CC)C2 ZINC001108791393 1367598735 /nfs/dbraw/zinc/59/87/35/1367598735.db2.gz SRQUPNMPNLDZOT-OTWHNJEPSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001110576446 1367843667 /nfs/dbraw/zinc/84/36/67/1367843667.db2.gz IXCXWMQHPQXUFL-IVDHNXQLSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576446 1367843674 /nfs/dbraw/zinc/84/36/74/1367843674.db2.gz IXCXWMQHPQXUFL-IVDHNXQLSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576446 1367843680 /nfs/dbraw/zinc/84/36/80/1367843680.db2.gz IXCXWMQHPQXUFL-IVDHNXQLSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001110626636 1367874781 /nfs/dbraw/zinc/87/47/81/1367874781.db2.gz JTQCMDUMCCPKCO-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001110626636 1367874786 /nfs/dbraw/zinc/87/47/86/1367874786.db2.gz JTQCMDUMCCPKCO-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001110626636 1367874789 /nfs/dbraw/zinc/87/47/89/1367874789.db2.gz JTQCMDUMCCPKCO-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204932 1367965472 /nfs/dbraw/zinc/96/54/72/1367965472.db2.gz NXLGUWMNFOWWGL-HXUWFJFHSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424669 1368026489 /nfs/dbraw/zinc/02/64/89/1368026489.db2.gz OTEFMUGPLWXAMK-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424669 1368026493 /nfs/dbraw/zinc/02/64/93/1368026493.db2.gz OTEFMUGPLWXAMK-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424669 1368026497 /nfs/dbraw/zinc/02/64/97/1368026497.db2.gz OTEFMUGPLWXAMK-UXHICEINSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246003 1368216693 /nfs/dbraw/zinc/21/66/93/1368216693.db2.gz IROFOXOYIHRRHN-IEBWSBKVSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)CCCn2ccnc2C)CC1 ZINC001197454598 1368818350 /nfs/dbraw/zinc/81/83/50/1368818350.db2.gz QZUSSWXNONBEMZ-UHFFFAOYSA-N 2 1 346.519 3.252 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197454598 1368818352 /nfs/dbraw/zinc/81/83/52/1368818352.db2.gz QZUSSWXNONBEMZ-UHFFFAOYSA-N 2 1 346.519 3.252 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197454598 1368818358 /nfs/dbraw/zinc/81/83/58/1368818358.db2.gz QZUSSWXNONBEMZ-UHFFFAOYSA-N 2 1 346.519 3.252 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001113397476 1369397099 /nfs/dbraw/zinc/39/70/99/1369397099.db2.gz AHADMVXADUYMPB-UHFFFAOYSA-N 2 1 346.519 3.287 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053835 1369472966 /nfs/dbraw/zinc/47/29/66/1369472966.db2.gz YYPIVXKZIRWUGI-XLIONFOSSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001203282418 1370061456 /nfs/dbraw/zinc/06/14/56/1370061456.db2.gz FTAZETCABXUGLR-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507586 1370149074 /nfs/dbraw/zinc/14/90/74/1370149074.db2.gz TWWVSZIBPXWSBY-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730427 1370712976 /nfs/dbraw/zinc/71/29/76/1370712976.db2.gz JNUBDVVUBQFUEB-RTBURBONSA-N 2 1 349.563 3.339 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2)c1 ZINC001206352451 1371030614 /nfs/dbraw/zinc/03/06/14/1371030614.db2.gz XROAHVKSUOYBPW-HXUWFJFHSA-N 2 1 338.430 3.273 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2)c1 ZINC001206352451 1371030617 /nfs/dbraw/zinc/03/06/17/1371030617.db2.gz XROAHVKSUOYBPW-HXUWFJFHSA-N 2 1 338.430 3.273 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206602852 1371106143 /nfs/dbraw/zinc/10/61/43/1371106143.db2.gz KPJGMHMWRZNLPA-KRWDZBQOSA-N 2 1 346.519 3.155 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857551 1371191474 /nfs/dbraw/zinc/19/14/74/1371191474.db2.gz OKFRMMZEYLYCKM-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC/C=C/C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001208118618 1371602456 /nfs/dbraw/zinc/60/24/56/1371602456.db2.gz MIRJWAAKGLZEIH-MDZDMXLPSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129329 1371604499 /nfs/dbraw/zinc/60/44/99/1371604499.db2.gz SKMSUXONSTYMGC-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129329 1371604503 /nfs/dbraw/zinc/60/45/03/1371604503.db2.gz SKMSUXONSTYMGC-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129329 1371604505 /nfs/dbraw/zinc/60/45/05/1371604505.db2.gz SKMSUXONSTYMGC-IEBWSBKVSA-N 2 1 335.536 3.044 20 30 EGEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001208601901 1371836758 /nfs/dbraw/zinc/83/67/58/1371836758.db2.gz SJJHUBDZNZRYMF-FQEVSTJZSA-N 2 1 327.472 3.133 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121134062 1371862943 /nfs/dbraw/zinc/86/29/43/1371862943.db2.gz RDOKHXUSQKGGTR-JOWTXAJYSA-N 2 1 347.547 3.088 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001121347034 1371945475 /nfs/dbraw/zinc/94/54/75/1371945475.db2.gz DIUPELNADTZOOV-FCOWATRHSA-N 2 1 347.547 3.090 20 30 EGEDMP N#Cc1ccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208925777 1371947106 /nfs/dbraw/zinc/94/71/06/1371947106.db2.gz RIRMPBZKSNGGPJ-KDURUIRLSA-N 2 1 337.492 3.226 20 30 EGEDMP N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208925777 1371947110 /nfs/dbraw/zinc/94/71/10/1371947110.db2.gz RIRMPBZKSNGGPJ-KDURUIRLSA-N 2 1 337.492 3.226 20 30 EGEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208925777 1371947115 /nfs/dbraw/zinc/94/71/15/1371947115.db2.gz RIRMPBZKSNGGPJ-KDURUIRLSA-N 2 1 337.492 3.226 20 30 EGEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001208925777 1371947117 /nfs/dbraw/zinc/94/71/17/1371947117.db2.gz RIRMPBZKSNGGPJ-KDURUIRLSA-N 2 1 337.492 3.226 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001209134324 1372009473 /nfs/dbraw/zinc/00/94/73/1372009473.db2.gz NWXVJFWWYFRTOY-VAMGGRTRSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3nccs3)C2)CC1 ZINC001209158948 1372018914 /nfs/dbraw/zinc/01/89/14/1372018914.db2.gz XDCAWWWTFGHBOG-KRWDZBQOSA-N 2 1 349.544 3.412 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121791083 1372081777 /nfs/dbraw/zinc/08/17/77/1372081777.db2.gz FBWGTEURMFVCOY-GUYFDXGHSA-N 2 1 349.563 3.336 20 30 EGEDMP C=C(C)C[NH+]1CCC(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001223928703 1375047892 /nfs/dbraw/zinc/04/78/92/1375047892.db2.gz IMTCWJGYIPOHGL-UHFFFAOYSA-N 2 1 335.536 3.045 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183414 1375192519 /nfs/dbraw/zinc/19/25/19/1375192519.db2.gz ONCPLBNVLWXUCZ-WMZOPIPTSA-N 2 1 334.508 3.131 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183414 1375192522 /nfs/dbraw/zinc/19/25/22/1375192522.db2.gz ONCPLBNVLWXUCZ-WMZOPIPTSA-N 2 1 334.508 3.131 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133141612 1375802446 /nfs/dbraw/zinc/80/24/46/1375802446.db2.gz FWDPBYVBXSEGQP-ZWKOTPCHSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147924 1375808153 /nfs/dbraw/zinc/80/81/53/1375808153.db2.gz YMOQVZXXUUISSQ-ROUUACIJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001133347359 1375936193 /nfs/dbraw/zinc/93/61/93/1375936193.db2.gz WDSMRRXNKWKLPW-RBUKOAKNSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001234323683 1376809375 /nfs/dbraw/zinc/80/93/75/1376809375.db2.gz SCTAPCCNEUEXSS-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001234323683 1376809378 /nfs/dbraw/zinc/80/93/78/1376809378.db2.gz SCTAPCCNEUEXSS-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001234323683 1376809384 /nfs/dbraw/zinc/80/93/84/1376809384.db2.gz SCTAPCCNEUEXSS-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135627187 1377167929 /nfs/dbraw/zinc/16/79/29/1377167929.db2.gz XSOXVZLWGXERJN-SJORKVTESA-N 2 1 334.508 3.236 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135626984 1377168047 /nfs/dbraw/zinc/16/80/47/1377168047.db2.gz WCZWZNQUGXDVAX-CABCVRRESA-N 2 1 340.899 3.022 20 30 EGEDMP C=CCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135996848 1377292945 /nfs/dbraw/zinc/29/29/45/1377292945.db2.gz WNNPWPQNPJHLER-ROUUACIJSA-N 2 1 325.541 3.338 20 30 EGEDMP N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804940 1378144456 /nfs/dbraw/zinc/14/44/56/1378144456.db2.gz LBVWSTKFTSZNRF-QGZVFWFLSA-N 2 1 332.407 3.478 20 30 EGEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140804940 1378144459 /nfs/dbraw/zinc/14/44/59/1378144459.db2.gz LBVWSTKFTSZNRF-QGZVFWFLSA-N 2 1 332.407 3.478 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148833998 1379280047 /nfs/dbraw/zinc/28/00/47/1379280047.db2.gz QDPJUZPZSCJJCH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833998 1379280052 /nfs/dbraw/zinc/28/00/52/1379280052.db2.gz QDPJUZPZSCJJCH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148833998 1379280054 /nfs/dbraw/zinc/28/00/54/1379280054.db2.gz QDPJUZPZSCJJCH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455113 1380280632 /nfs/dbraw/zinc/28/06/32/1380280632.db2.gz GCIXKSPIBCOTES-QUCCMNQESA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156318721 1380557528 /nfs/dbraw/zinc/55/75/28/1380557528.db2.gz GVAJGOBJNLWFJL-UYAOXDASSA-N 2 1 345.531 3.472 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318721 1380557529 /nfs/dbraw/zinc/55/75/29/1380557529.db2.gz GVAJGOBJNLWFJL-UYAOXDASSA-N 2 1 345.531 3.472 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318721 1380557531 /nfs/dbraw/zinc/55/75/31/1380557531.db2.gz GVAJGOBJNLWFJL-UYAOXDASSA-N 2 1 345.531 3.472 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161206717 1382340088 /nfs/dbraw/zinc/34/00/88/1382340088.db2.gz LBUAOHGNPDQIAT-QUCCMNQESA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206717 1382340093 /nfs/dbraw/zinc/34/00/93/1382340093.db2.gz LBUAOHGNPDQIAT-QUCCMNQESA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161206717 1382340099 /nfs/dbraw/zinc/34/00/99/1382340099.db2.gz LBUAOHGNPDQIAT-QUCCMNQESA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161208032 1382341278 /nfs/dbraw/zinc/34/12/78/1382341278.db2.gz YMYNJYRTXQWNAT-LJQANCHMSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161208032 1382341284 /nfs/dbraw/zinc/34/12/84/1382341284.db2.gz YMYNJYRTXQWNAT-LJQANCHMSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161208032 1382341288 /nfs/dbraw/zinc/34/12/88/1382341288.db2.gz YMYNJYRTXQWNAT-LJQANCHMSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001161471574 1382418002 /nfs/dbraw/zinc/41/80/02/1382418002.db2.gz CFHJIRSXJIVXNS-UHFFFAOYSA-N 2 1 341.499 3.076 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704883 1382485321 /nfs/dbraw/zinc/48/53/21/1382485321.db2.gz IXUAMNJXUJMNAM-WOJBJXKFSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161755069 1382495982 /nfs/dbraw/zinc/49/59/82/1382495982.db2.gz KCQDKXJKRBMYPJ-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755069 1382495986 /nfs/dbraw/zinc/49/59/86/1382495986.db2.gz KCQDKXJKRBMYPJ-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755069 1382495991 /nfs/dbraw/zinc/49/59/91/1382495991.db2.gz KCQDKXJKRBMYPJ-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161952961 1382569327 /nfs/dbraw/zinc/56/93/27/1382569327.db2.gz MYCPOKUKEHDVOL-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952961 1382569330 /nfs/dbraw/zinc/56/93/30/1382569330.db2.gz MYCPOKUKEHDVOL-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161952961 1382569338 /nfs/dbraw/zinc/56/93/38/1382569338.db2.gz MYCPOKUKEHDVOL-AZUAARDMSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001163177397 1382984913 /nfs/dbraw/zinc/98/49/13/1382984913.db2.gz HFZRJGRIUCVSSG-AYWYSENESA-N 2 1 341.499 3.046 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335782 1383876142 /nfs/dbraw/zinc/87/61/42/1383876142.db2.gz TUSGZJUHYJZQOR-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170784368 1384384280 /nfs/dbraw/zinc/38/42/80/1384384280.db2.gz IXLAHZAZUJWCCG-RTBURBONSA-N 2 1 349.563 3.482 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120211 1384733566 /nfs/dbraw/zinc/73/35/66/1384733566.db2.gz ATOVOHGPOHMHDA-RCLSDMTESA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120211 1384733568 /nfs/dbraw/zinc/73/35/68/1384733568.db2.gz ATOVOHGPOHMHDA-RCLSDMTESA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120211 1384733571 /nfs/dbraw/zinc/73/35/71/1384733571.db2.gz ATOVOHGPOHMHDA-RCLSDMTESA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Oc3cccc(C#N)c3)C1)C2 ZINC001172120211 1384733573 /nfs/dbraw/zinc/73/35/73/1384733573.db2.gz ATOVOHGPOHMHDA-RCLSDMTESA-N 2 1 339.483 3.417 20 30 EGEDMP C=CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCCOC)CC1 ZINC001172247302 1384756140 /nfs/dbraw/zinc/75/61/40/1384756140.db2.gz GOFPPKWLAJUXIM-QGZVFWFLSA-N 2 1 332.488 3.403 20 30 EGEDMP CC(C)[N@@H+](C)Cc1nn(C2CCC(C)(C#N)CC2)c2c1CC[NH2+]C2 ZINC001173594986 1384984233 /nfs/dbraw/zinc/98/42/33/1384984233.db2.gz JKMBMJNPNFLDPM-UHFFFAOYSA-N 2 1 329.492 3.014 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175297832 1385242821 /nfs/dbraw/zinc/24/28/21/1385242821.db2.gz XYDPSYDQGBTMDW-QGZVFWFLSA-N 2 1 325.541 3.195 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001175739508 1385392021 /nfs/dbraw/zinc/39/20/21/1385392021.db2.gz PPRYAOVFFVAZSU-SFHVURJKSA-N 2 1 325.541 3.339 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177266877 1385889632 /nfs/dbraw/zinc/88/96/32/1385889632.db2.gz LWBKTMPBGQMCPH-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001177340075 1385920798 /nfs/dbraw/zinc/92/07/98/1385920798.db2.gz ZPXVIIDAVDOZNR-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177456402 1385963393 /nfs/dbraw/zinc/96/33/93/1385963393.db2.gz UGVURCWJWARQBS-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488479 1385976000 /nfs/dbraw/zinc/97/60/00/1385976000.db2.gz FZAJAZNYIKROOD-UHFFFAOYSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001178693338 1386279426 /nfs/dbraw/zinc/27/94/26/1386279426.db2.gz NLXGEPPFZCZCJO-QGZVFWFLSA-N 2 1 343.943 3.268 20 30 EGEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001182001301 1387091771 /nfs/dbraw/zinc/09/17/71/1387091771.db2.gz NWNDWUIWFUTDPW-SFHLNBCPSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001753440955 1440401670 /nfs/dbraw/zinc/40/16/70/1440401670.db2.gz ZQODEVWWVCDUTR-SFHVURJKSA-N 2 1 335.536 3.118 20 30 EGEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001753589244 1440442241 /nfs/dbraw/zinc/44/22/41/1440442241.db2.gz RWXQHBGCHFTMAY-SFHVURJKSA-N 2 1 349.906 3.019 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754685755 1440664917 /nfs/dbraw/zinc/66/49/17/1440664917.db2.gz QXXHCIHBACUBTO-RXVVDRJESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754685755 1440664918 /nfs/dbraw/zinc/66/49/18/1440664918.db2.gz QXXHCIHBACUBTO-RXVVDRJESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001754685755 1440664919 /nfs/dbraw/zinc/66/49/19/1440664919.db2.gz QXXHCIHBACUBTO-RXVVDRJESA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001754685755 1440664920 /nfs/dbraw/zinc/66/49/20/1440664920.db2.gz QXXHCIHBACUBTO-RXVVDRJESA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034308 1440733302 /nfs/dbraw/zinc/73/33/02/1440733302.db2.gz OYQMHBAJDGZIBE-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001755079316 1440750377 /nfs/dbraw/zinc/75/03/77/1440750377.db2.gz HZZQORPQJBCRGX-OAQYLSRUSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001755079316 1440750378 /nfs/dbraw/zinc/75/03/78/1440750378.db2.gz HZZQORPQJBCRGX-OAQYLSRUSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001755079316 1440750379 /nfs/dbraw/zinc/75/03/79/1440750379.db2.gz HZZQORPQJBCRGX-OAQYLSRUSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755560060 1440874198 /nfs/dbraw/zinc/87/41/98/1440874198.db2.gz OXBHQTHLBQFINB-PMACEKPBSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001755760544 1440914875 /nfs/dbraw/zinc/91/48/75/1440914875.db2.gz OVVWGQALUNPXKF-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001755851513 1440935139 /nfs/dbraw/zinc/93/51/39/1440935139.db2.gz WCAZEJOQVXCMKA-KRWDZBQOSA-N 2 1 346.519 3.155 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000274810015 267290314 /nfs/dbraw/zinc/29/03/14/267290314.db2.gz HOLDGLYGICWUBC-VOQZNFBZSA-N 2 1 349.478 3.092 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088716148 454117318 /nfs/dbraw/zinc/11/73/18/454117318.db2.gz CLARDIOPLNPVGE-RXVVDRJESA-N 2 1 327.516 3.137 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088716148 454117321 /nfs/dbraw/zinc/11/73/21/454117321.db2.gz CLARDIOPLNPVGE-RXVVDRJESA-N 2 1 327.516 3.137 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092746993 454624027 /nfs/dbraw/zinc/62/40/27/454624027.db2.gz OMVFQROGRVNVOS-KRWDZBQOSA-N 2 1 343.515 3.056 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683538 454728435 /nfs/dbraw/zinc/72/84/35/454728435.db2.gz SAQVJGLNPVWIQS-IEBWSBKVSA-N 2 1 327.472 3.285 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683538 454728437 /nfs/dbraw/zinc/72/84/37/454728437.db2.gz SAQVJGLNPVWIQS-IEBWSBKVSA-N 2 1 327.472 3.285 20 30 EGEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)cn1 ZINC000264082219 455190685 /nfs/dbraw/zinc/19/06/85/455190685.db2.gz HQSNIABFIQUIQQ-OAHLLOKOSA-N 2 1 342.491 3.195 20 30 EGEDMP CC(C)[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000264119419 455191679 /nfs/dbraw/zinc/19/16/79/455191679.db2.gz UKGBBDUGASUPJU-UHFFFAOYSA-N 2 1 332.370 3.042 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246088163 455423904 /nfs/dbraw/zinc/42/39/04/455423904.db2.gz IKTPXFJECHYCMI-BLIXFSHQSA-N 2 1 339.483 3.426 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246088163 455423909 /nfs/dbraw/zinc/42/39/09/455423909.db2.gz IKTPXFJECHYCMI-BLIXFSHQSA-N 2 1 339.483 3.426 20 30 EGEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356592 455596238 /nfs/dbraw/zinc/59/62/38/455596238.db2.gz XZYJUZGSTSGBIC-IBGZPJMESA-N 2 1 329.488 3.197 20 30 EGEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356592 455596244 /nfs/dbraw/zinc/59/62/44/455596244.db2.gz XZYJUZGSTSGBIC-IBGZPJMESA-N 2 1 329.488 3.197 20 30 EGEDMP C=CCC[C@H](CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247932207 455656679 /nfs/dbraw/zinc/65/66/79/455656679.db2.gz CDEYGBZUHSEGOG-UXHICEINSA-N 2 1 343.515 3.218 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H](C#N)C3)CC2)oc1C ZINC000192856434 455707481 /nfs/dbraw/zinc/70/74/81/455707481.db2.gz ACRSTVZSEUCYTC-ROUUACIJSA-N 2 1 330.476 3.175 20 30 EGEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270546535 455980234 /nfs/dbraw/zinc/98/02/34/455980234.db2.gz DREGGIRKCYXMJD-BBRMVZONSA-N 2 1 340.874 3.128 20 30 EGEDMP CC[NH+]1CCC([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000341685085 456899165 /nfs/dbraw/zinc/89/91/65/456899165.db2.gz QKTSXELEQUMCGA-UHFFFAOYSA-N 2 1 327.472 3.322 20 30 EGEDMP C=CCc1cc(C[N@H+](CC)CCC[NH+]2CCCC2)cc(OC)c1O ZINC000349365610 456954057 /nfs/dbraw/zinc/95/40/57/456954057.db2.gz IIBMZSDWRBBZSH-UHFFFAOYSA-N 2 1 332.488 3.437 20 30 EGEDMP C=CCc1cc(C[N@@H+](CC)CCC[NH+]2CCCC2)cc(OC)c1O ZINC000349365610 456954060 /nfs/dbraw/zinc/95/40/60/456954060.db2.gz IIBMZSDWRBBZSH-UHFFFAOYSA-N 2 1 332.488 3.437 20 30 EGEDMP C[N@@H+](CCCCC(C)(C)C#N)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000365634524 457767078 /nfs/dbraw/zinc/76/70/78/457767078.db2.gz NPENXVYCLGIJCG-OAQYLSRUSA-N 2 1 343.515 3.275 20 30 EGEDMP C[N@H+](CCCCC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365634524 457767084 /nfs/dbraw/zinc/76/70/84/457767084.db2.gz NPENXVYCLGIJCG-OAQYLSRUSA-N 2 1 343.515 3.275 20 30 EGEDMP C[N@@H+](CCCCC(C)(C)C#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000365634524 457767091 /nfs/dbraw/zinc/76/70/91/457767091.db2.gz NPENXVYCLGIJCG-OAQYLSRUSA-N 2 1 343.515 3.275 20 30 EGEDMP C[NH+](CCCCC(C)(C)C#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000365634524 457767097 /nfs/dbraw/zinc/76/70/97/457767097.db2.gz NPENXVYCLGIJCG-OAQYLSRUSA-N 2 1 343.515 3.275 20 30 EGEDMP C[NH+](CCCCC(C)(C)C#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000365634524 457767105 /nfs/dbraw/zinc/76/71/05/457767105.db2.gz NPENXVYCLGIJCG-OAQYLSRUSA-N 2 1 343.515 3.275 20 30 EGEDMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1C#N ZINC000443983741 457832846 /nfs/dbraw/zinc/83/28/46/457832846.db2.gz FAZBRINHMWCNPO-JOCHJYFZSA-N 2 1 349.478 3.113 20 30 EGEDMP CC1(C#N)CCC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423364881 458431405 /nfs/dbraw/zinc/43/14/05/458431405.db2.gz KBMMLWAPXWDAJI-DJMKXRNQSA-N 2 1 333.426 3.472 20 30 EGEDMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCCCC#N ZINC000459732093 458461026 /nfs/dbraw/zinc/46/10/26/458461026.db2.gz MCSRYIVNKDIHIT-QGZVFWFLSA-N 2 1 345.487 3.199 20 30 EGEDMP N#CCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470995255 458673972 /nfs/dbraw/zinc/67/39/72/458673972.db2.gz HRPSPCMRIQZQGK-SZPZYZBQSA-N 2 1 331.463 3.316 20 30 EGEDMP N#CCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470995255 458673978 /nfs/dbraw/zinc/67/39/78/458673978.db2.gz HRPSPCMRIQZQGK-SZPZYZBQSA-N 2 1 331.463 3.316 20 30 EGEDMP N#CCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470995255 458673985 /nfs/dbraw/zinc/67/39/85/458673985.db2.gz HRPSPCMRIQZQGK-SZPZYZBQSA-N 2 1 331.463 3.316 20 30 EGEDMP N#CCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000470995255 458673993 /nfs/dbraw/zinc/67/39/93/458673993.db2.gz HRPSPCMRIQZQGK-SZPZYZBQSA-N 2 1 331.463 3.316 20 30 EGEDMP C=C(C)COCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512612488 458785939 /nfs/dbraw/zinc/78/59/39/458785939.db2.gz OSPUQCRPLYJHJD-PWRODBHTSA-N 2 1 328.500 3.469 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000531975321 459011321 /nfs/dbraw/zinc/01/13/21/459011321.db2.gz RSLRKUIQIJCKKY-OAHLLOKOSA-N 2 1 327.472 3.262 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C[C@H](C)O1 ZINC000442722337 459027218 /nfs/dbraw/zinc/02/72/18/459027218.db2.gz VDMLHHYCSIDDJX-ACZWYYKOSA-N 2 1 327.472 3.078 20 30 EGEDMP C[C@H](CCC#N)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000602479775 459959887 /nfs/dbraw/zinc/95/98/87/459959887.db2.gz BYEYOBFFWHKTCU-GOSISDBHSA-N 2 1 334.552 3.054 20 30 EGEDMP C[C@H](CCC#N)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602479775 459959891 /nfs/dbraw/zinc/95/98/91/459959891.db2.gz BYEYOBFFWHKTCU-GOSISDBHSA-N 3 1 334.552 3.054 20 30 EGEDMP C[C@H](CCC#N)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000602479775 459959892 /nfs/dbraw/zinc/95/98/92/459959892.db2.gz BYEYOBFFWHKTCU-GOSISDBHSA-N 3 1 334.552 3.054 20 30 EGEDMP N#Cc1ccccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000598680398 459991069 /nfs/dbraw/zinc/99/10/69/459991069.db2.gz ASTWQEFDMJCOGO-UHFFFAOYSA-N 2 1 349.482 3.128 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000153029488 526603642 /nfs/dbraw/zinc/60/36/42/526603642.db2.gz MNQNOIPTHMUJHP-MRXNPFEDSA-N 2 1 345.487 3.042 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000328160506 1297253932 /nfs/dbraw/zinc/25/39/32/1297253932.db2.gz HWCAIJDYEHAKRC-UHFFFAOYSA-N 2 1 346.272 3.042 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000328160506 1297253943 /nfs/dbraw/zinc/25/39/43/1297253943.db2.gz HWCAIJDYEHAKRC-UHFFFAOYSA-N 2 1 346.272 3.042 20 30 EGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093742319 1292931677 /nfs/dbraw/zinc/93/16/77/1292931677.db2.gz AERPDAAMRULBFB-IBGZPJMESA-N 2 1 328.504 3.200 20 30 EGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093742319 1292931686 /nfs/dbraw/zinc/93/16/86/1292931686.db2.gz AERPDAAMRULBFB-IBGZPJMESA-N 2 1 328.504 3.200 20 30 EGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093742319 1292931695 /nfs/dbraw/zinc/93/16/95/1292931695.db2.gz AERPDAAMRULBFB-IBGZPJMESA-N 2 1 328.504 3.200 20 30 EGEDMP C[NH+]=C(NCC1CCC1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262335072 1296627191 /nfs/dbraw/zinc/62/71/91/1296627191.db2.gz BQEIXBQSUJYEIK-DOTOQJQBSA-N 2 1 334.533 3.096 20 30 EGEDMP CCN(CC)C(=[NH2+])NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303886918 1296869310 /nfs/dbraw/zinc/86/93/10/1296869310.db2.gz KMVZIIOGBFEKRJ-CALCHBBNSA-N 2 1 330.520 3.321 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])NCC3CCC3)cc2)C1 ZINC000303884743 1296869724 /nfs/dbraw/zinc/86/97/24/1296869724.db2.gz JHQGMIVEVPNTSO-INIZCTEOSA-N 2 1 328.504 3.123 20 30 EGEDMP COc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1 ZINC000303902519 1296877693 /nfs/dbraw/zinc/87/76/93/1296877693.db2.gz XUGQOSZDFIQIKW-SFHVURJKSA-N 2 1 326.444 3.033 20 30 EGEDMP C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000304747682 1296938445 /nfs/dbraw/zinc/93/84/45/1296938445.db2.gz GQBULGPDSDGSCY-RYUDHWBXSA-N 2 1 343.302 3.301 20 30 EGEDMP C#C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000796949616 1310113792 /nfs/dbraw/zinc/11/37/92/1310113792.db2.gz QOXMQROUMFBYPW-VFUGHAIPSA-N 2 1 326.484 3.200 20 30 EGEDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000902803261 1317618381 /nfs/dbraw/zinc/61/83/81/1317618381.db2.gz UORFDUXJVJZONS-WOJBJXKFSA-N 2 1 327.472 3.242 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000815652276 1319036404 /nfs/dbraw/zinc/03/64/04/1319036404.db2.gz VYHBQCZSLWQYMP-UHFFFAOYSA-N 2 1 342.527 3.485 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(O)(c2ccc(C(C)C)cc2)CC1 ZINC000815652276 1319036415 /nfs/dbraw/zinc/03/64/15/1319036415.db2.gz VYHBQCZSLWQYMP-UHFFFAOYSA-N 2 1 342.527 3.485 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454301 1319558457 /nfs/dbraw/zinc/55/84/57/1319558457.db2.gz RIKCXHAGZSPSTP-QGZVFWFLSA-N 2 1 340.471 3.051 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961403571 1319560001 /nfs/dbraw/zinc/56/00/01/1319560001.db2.gz WQPCDIHTEUTDHK-VQTJNVASSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023696470 1319821789 /nfs/dbraw/zinc/82/17/89/1319821789.db2.gz NUQALFUYULWQKH-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696470 1319821801 /nfs/dbraw/zinc/82/18/01/1319821801.db2.gz NUQALFUYULWQKH-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023696470 1319821807 /nfs/dbraw/zinc/82/18/07/1319821807.db2.gz NUQALFUYULWQKH-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763088 1319907138 /nfs/dbraw/zinc/90/71/38/1319907138.db2.gz CHPQSGMRQCZDPQ-GOSISDBHSA-N 2 1 343.515 3.156 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023762518 1319909364 /nfs/dbraw/zinc/90/93/64/1319909364.db2.gz YNEYRPZWJYZWPY-LJQANCHMSA-N 2 1 343.515 3.156 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000850470520 1322254663 /nfs/dbraw/zinc/25/46/63/1322254663.db2.gz CEKWLQQAFTZLPW-MRXNPFEDSA-N 2 1 340.467 3.463 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2cc(OC)c(OC)cc2c1 ZINC000850470520 1322254664 /nfs/dbraw/zinc/25/46/64/1322254664.db2.gz CEKWLQQAFTZLPW-MRXNPFEDSA-N 2 1 340.467 3.463 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093559 1323278242 /nfs/dbraw/zinc/27/82/42/1323278242.db2.gz MXXVPMVACFRWFS-LPHOPBHVSA-N 2 1 327.472 3.189 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853093455 1323279090 /nfs/dbraw/zinc/27/90/90/1323279090.db2.gz LEMJSZMSFZGKAG-FQEVSTJZSA-N 2 1 340.515 3.248 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479179 1323433247 /nfs/dbraw/zinc/43/32/47/1323433247.db2.gz BALQZSTZSPKQJJ-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479179 1323433251 /nfs/dbraw/zinc/43/32/51/1323433251.db2.gz BALQZSTZSPKQJJ-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479179 1323433253 /nfs/dbraw/zinc/43/32/53/1323433253.db2.gz BALQZSTZSPKQJJ-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479180 1323433552 /nfs/dbraw/zinc/43/35/52/1323433552.db2.gz BALQZSTZSPKQJJ-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479180 1323433556 /nfs/dbraw/zinc/43/35/56/1323433556.db2.gz BALQZSTZSPKQJJ-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479180 1323433561 /nfs/dbraw/zinc/43/35/61/1323433561.db2.gz BALQZSTZSPKQJJ-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025466043 1324311948 /nfs/dbraw/zinc/31/19/48/1324311948.db2.gz ZLRPHFDBZJYNQW-RDJZCZTQSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]12 ZINC001026299570 1324711260 /nfs/dbraw/zinc/71/12/60/1324711260.db2.gz WREWUNBWPFFRIN-NZSAHSFTSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001026548412 1324885718 /nfs/dbraw/zinc/88/57/18/1324885718.db2.gz YVONMGHQDDSCHA-QLOJAFMTSA-N 2 1 347.547 3.377 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908265 1333301992 /nfs/dbraw/zinc/30/19/92/1333301992.db2.gz QUBICYOAKJEMJZ-FXAWDEMLSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948070345 1333364285 /nfs/dbraw/zinc/36/42/85/1333364285.db2.gz OOVORDGVTXTZNQ-NVXWUHKLSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948070345 1333364288 /nfs/dbraw/zinc/36/42/88/1333364288.db2.gz OOVORDGVTXTZNQ-NVXWUHKLSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434328 1333523286 /nfs/dbraw/zinc/52/32/86/1333523286.db2.gz AYXWOQVRPRPDSF-PMACEKPBSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434328 1333523287 /nfs/dbraw/zinc/52/32/87/1333523287.db2.gz AYXWOQVRPRPDSF-PMACEKPBSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434328 1333523290 /nfs/dbraw/zinc/52/32/90/1333523290.db2.gz AYXWOQVRPRPDSF-PMACEKPBSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948705509 1333641255 /nfs/dbraw/zinc/64/12/55/1333641255.db2.gz IBDWOIBELGQNMB-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000948705509 1333641258 /nfs/dbraw/zinc/64/12/58/1333641258.db2.gz IBDWOIBELGQNMB-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000948705509 1333641262 /nfs/dbraw/zinc/64/12/62/1333641262.db2.gz IBDWOIBELGQNMB-QUCCMNQESA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829058 1333700967 /nfs/dbraw/zinc/70/09/67/1333700967.db2.gz CKZORKKYHCUYRP-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968416774 1335924342 /nfs/dbraw/zinc/92/43/42/1335924342.db2.gz AXWPVRXHHLGIKS-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877314 1336077129 /nfs/dbraw/zinc/07/71/29/1336077129.db2.gz TURWJYIIPHJVBM-QGZVFWFLSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000968877314 1336077133 /nfs/dbraw/zinc/07/71/33/1336077133.db2.gz TURWJYIIPHJVBM-QGZVFWFLSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000968888412 1336080430 /nfs/dbraw/zinc/08/04/30/1336080430.db2.gz UQVJMMYJASPZPO-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888412 1336080433 /nfs/dbraw/zinc/08/04/33/1336080433.db2.gz UQVJMMYJASPZPO-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000968888412 1336080436 /nfs/dbraw/zinc/08/04/36/1336080436.db2.gz UQVJMMYJASPZPO-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990354 1336111928 /nfs/dbraw/zinc/11/19/28/1336111928.db2.gz BQDKTPLXTMUIMT-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990354 1336111930 /nfs/dbraw/zinc/11/19/30/1336111930.db2.gz BQDKTPLXTMUIMT-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990354 1336111931 /nfs/dbraw/zinc/11/19/31/1336111931.db2.gz BQDKTPLXTMUIMT-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990608 1336112387 /nfs/dbraw/zinc/11/23/87/1336112387.db2.gz IWEBDNXEGOHXJR-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990608 1336112389 /nfs/dbraw/zinc/11/23/89/1336112389.db2.gz IWEBDNXEGOHXJR-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990608 1336112390 /nfs/dbraw/zinc/11/23/90/1336112390.db2.gz IWEBDNXEGOHXJR-WOJBJXKFSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969681936 1336236569 /nfs/dbraw/zinc/23/65/69/1336236569.db2.gz SBMNAQJBNALRPZ-ZWKOTPCHSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034370212 1342439398 /nfs/dbraw/zinc/43/93/98/1342439398.db2.gz XIBOGTGKJBVUHI-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034370212 1342439400 /nfs/dbraw/zinc/43/94/00/1342439400.db2.gz XIBOGTGKJBVUHI-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034370212 1342439405 /nfs/dbraw/zinc/43/94/05/1342439405.db2.gz XIBOGTGKJBVUHI-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@@H]21 ZINC001036755225 1343677652 /nfs/dbraw/zinc/67/76/52/1343677652.db2.gz SPDJXAPXLMCPNC-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755225 1343677654 /nfs/dbraw/zinc/67/76/54/1343677654.db2.gz SPDJXAPXLMCPNC-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@@H]21 ZINC001036755225 1343677656 /nfs/dbraw/zinc/67/76/56/1343677656.db2.gz SPDJXAPXLMCPNC-MJGOQNOKSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375438 1345032816 /nfs/dbraw/zinc/03/28/16/1345032816.db2.gz FAJAMBCQOMQIAD-MOPGFXCFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001039473438 1345088432 /nfs/dbraw/zinc/08/84/32/1345088432.db2.gz MBJGDFCCDGUDGO-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C[NH+](C)C ZINC001039474141 1345089182 /nfs/dbraw/zinc/08/91/82/1345089182.db2.gz SDNVAIIZZXONOD-MOPGFXCFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947967 1345607937 /nfs/dbraw/zinc/60/79/37/1345607937.db2.gz KQLFDOQURUBWGH-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041780656 1345847425 /nfs/dbraw/zinc/84/74/25/1345847425.db2.gz CLVCADXZADHHRC-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041780656 1345847428 /nfs/dbraw/zinc/84/74/28/1345847428.db2.gz CLVCADXZADHHRC-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041780656 1345847429 /nfs/dbraw/zinc/84/74/29/1345847429.db2.gz CLVCADXZADHHRC-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001045972767 1346808748 /nfs/dbraw/zinc/80/87/48/1346808748.db2.gz ICAYNUSVEAUDIM-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972767 1346808750 /nfs/dbraw/zinc/80/87/50/1346808750.db2.gz ICAYNUSVEAUDIM-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001045972767 1346808752 /nfs/dbraw/zinc/80/87/52/1346808752.db2.gz ICAYNUSVEAUDIM-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001048572203 1347599214 /nfs/dbraw/zinc/59/92/14/1347599214.db2.gz BVOHMTAVXHRWCI-YRPNKDGESA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572203 1347599216 /nfs/dbraw/zinc/59/92/16/1347599216.db2.gz BVOHMTAVXHRWCI-YRPNKDGESA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001048572203 1347599217 /nfs/dbraw/zinc/59/92/17/1347599217.db2.gz BVOHMTAVXHRWCI-YRPNKDGESA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049787334 1348022203 /nfs/dbraw/zinc/02/22/03/1348022203.db2.gz HGZMVMDGDXURLY-WOJBJXKFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001049837815 1348050179 /nfs/dbraw/zinc/05/01/79/1348050179.db2.gz RUGKZWMPRHJPRM-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049837815 1348050181 /nfs/dbraw/zinc/05/01/81/1348050181.db2.gz RUGKZWMPRHJPRM-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001049837815 1348050184 /nfs/dbraw/zinc/05/01/84/1348050184.db2.gz RUGKZWMPRHJPRM-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052650991 1348613715 /nfs/dbraw/zinc/61/37/15/1348613715.db2.gz CCVOTHYQXZTSQO-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052650991 1348613716 /nfs/dbraw/zinc/61/37/16/1348613716.db2.gz CCVOTHYQXZTSQO-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052650991 1348613717 /nfs/dbraw/zinc/61/37/17/1348613717.db2.gz CCVOTHYQXZTSQO-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650970 1348613827 /nfs/dbraw/zinc/61/38/27/1348613827.db2.gz BWAOHEJYRRZFOG-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052650970 1348613829 /nfs/dbraw/zinc/61/38/29/1348613829.db2.gz BWAOHEJYRRZFOG-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650970 1348613830 /nfs/dbraw/zinc/61/38/30/1348613830.db2.gz BWAOHEJYRRZFOG-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652117 1348614155 /nfs/dbraw/zinc/61/41/55/1348614155.db2.gz SYPOTWYCMDNCIY-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652117 1348614156 /nfs/dbraw/zinc/61/41/56/1348614156.db2.gz SYPOTWYCMDNCIY-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652117 1348614158 /nfs/dbraw/zinc/61/41/58/1348614158.db2.gz SYPOTWYCMDNCIY-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088539 1348913882 /nfs/dbraw/zinc/91/38/82/1348913882.db2.gz XCZHXPWDEZPHRE-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088539 1348913886 /nfs/dbraw/zinc/91/38/86/1348913886.db2.gz XCZHXPWDEZPHRE-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088539 1348913890 /nfs/dbraw/zinc/91/38/90/1348913890.db2.gz XCZHXPWDEZPHRE-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258260 1363718848 /nfs/dbraw/zinc/71/88/48/1363718848.db2.gz OZBKVUFCPDYSQA-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001088412035 1359883405 /nfs/dbraw/zinc/88/34/05/1359883405.db2.gz WESLYVYUVGUJIW-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089459686 1360445840 /nfs/dbraw/zinc/44/58/40/1360445840.db2.gz ZMASXBDQFOUEGC-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479057 1360461889 /nfs/dbraw/zinc/46/18/89/1360461889.db2.gz XESHDNCURMMULS-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479057 1360461891 /nfs/dbraw/zinc/46/18/91/1360461891.db2.gz XESHDNCURMMULS-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479057 1360461892 /nfs/dbraw/zinc/46/18/92/1360461892.db2.gz XESHDNCURMMULS-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493563 1360470632 /nfs/dbraw/zinc/47/06/32/1360470632.db2.gz XUNAKNOKKXWKCB-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493563 1360470634 /nfs/dbraw/zinc/47/06/34/1360470634.db2.gz XUNAKNOKKXWKCB-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089493563 1360470636 /nfs/dbraw/zinc/47/06/36/1360470636.db2.gz XUNAKNOKKXWKCB-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC(C)(C)C1 ZINC001089534714 1360494708 /nfs/dbraw/zinc/49/47/08/1360494708.db2.gz UZKDXZOZYDLUDS-IBGZPJMESA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089670384 1360580063 /nfs/dbraw/zinc/58/00/63/1360580063.db2.gz DONRWSPSGTVKFX-SFHVURJKSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184578897 1387497468 /nfs/dbraw/zinc/49/74/68/1387497468.db2.gz ZXFDYCISTZIEQW-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001098976061 1363550578 /nfs/dbraw/zinc/55/05/78/1363550578.db2.gz PYWJJMHGTWEFLM-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976061 1363550582 /nfs/dbraw/zinc/55/05/82/1363550582.db2.gz PYWJJMHGTWEFLM-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001098976061 1363550585 /nfs/dbraw/zinc/55/05/85/1363550585.db2.gz PYWJJMHGTWEFLM-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCCCCC ZINC001099270195 1363724479 /nfs/dbraw/zinc/72/44/79/1363724479.db2.gz JCIPUYIBLGWMOM-LJQANCHMSA-N 2 1 349.563 3.129 20 30 EGEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099270195 1363724483 /nfs/dbraw/zinc/72/44/83/1363724483.db2.gz JCIPUYIBLGWMOM-LJQANCHMSA-N 2 1 349.563 3.129 20 30 EGEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCCCCC ZINC001099270195 1363724485 /nfs/dbraw/zinc/72/44/85/1363724485.db2.gz JCIPUYIBLGWMOM-LJQANCHMSA-N 2 1 349.563 3.129 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185233525 1387657352 /nfs/dbraw/zinc/65/73/52/1387657352.db2.gz BEOJQCHTAONFBK-MSOLQXFVSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001100601945 1364184590 /nfs/dbraw/zinc/18/45/90/1364184590.db2.gz LNBQVKYGOGWUPE-QLOJAFMTSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001185315947 1387680465 /nfs/dbraw/zinc/68/04/65/1387680465.db2.gz ALRHYMIHQNPOTD-OALUTQOASA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101430016 1364559747 /nfs/dbraw/zinc/55/97/47/1364559747.db2.gz KOHGMCRKWUBHAU-ZVDOUQERSA-N 2 1 349.563 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101430016 1364559749 /nfs/dbraw/zinc/55/97/49/1364559749.db2.gz KOHGMCRKWUBHAU-ZVDOUQERSA-N 2 1 349.563 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001101430016 1364559754 /nfs/dbraw/zinc/55/97/54/1364559754.db2.gz KOHGMCRKWUBHAU-ZVDOUQERSA-N 2 1 349.563 3.079 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101548902 1364612380 /nfs/dbraw/zinc/61/23/80/1364612380.db2.gz POPNDLSCEVLNAM-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101594579 1364645601 /nfs/dbraw/zinc/64/56/01/1364645601.db2.gz GCQJEVLOOTUUQN-QZTJIDSGSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001101597664 1364648314 /nfs/dbraw/zinc/64/83/14/1364648314.db2.gz VZFJOSSHMFDFFB-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308639 1365486432 /nfs/dbraw/zinc/48/64/32/1365486432.db2.gz BPCITAZRNHGFJD-GUDVDZBRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793795 1366175413 /nfs/dbraw/zinc/17/54/13/1366175413.db2.gz ILKUGBRQNRRRJA-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001185760483 1387791885 /nfs/dbraw/zinc/79/18/85/1387791885.db2.gz AHXKXLBUQLFREN-MOPGFXCFSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001104895654 1366213502 /nfs/dbraw/zinc/21/35/02/1366213502.db2.gz DUWQWNLXPOWVQW-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105564062 1366533309 /nfs/dbraw/zinc/53/33/09/1366533309.db2.gz VSGRBEXPDVWAEO-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572181 1366538524 /nfs/dbraw/zinc/53/85/24/1366538524.db2.gz KJMRJANWUBRENE-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CCC)CCC1 ZINC001105574760 1366539558 /nfs/dbraw/zinc/53/95/58/1366539558.db2.gz GYMODPZERJPECQ-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001107427001 1366960716 /nfs/dbraw/zinc/96/07/16/1366960716.db2.gz ZFWVYTZKDMRYBN-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001107427001 1366960720 /nfs/dbraw/zinc/96/07/20/1366960720.db2.gz ZFWVYTZKDMRYBN-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001107427001 1366960722 /nfs/dbraw/zinc/96/07/22/1366960722.db2.gz ZFWVYTZKDMRYBN-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001186002788 1387844142 /nfs/dbraw/zinc/84/41/42/1387844142.db2.gz SNPVKGWICQOOAR-QGZVFWFLSA-N 2 1 334.508 3.167 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189382883 1367007059 /nfs/dbraw/zinc/00/70/59/1367007059.db2.gz ZOPYIHPVKRLHHG-ZIFCJYIRSA-N 2 1 346.519 3.091 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307823 1367047517 /nfs/dbraw/zinc/04/75/17/1367047517.db2.gz DCANWPDWTBTPGD-MHORFTMASA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307823 1367047524 /nfs/dbraw/zinc/04/75/24/1367047524.db2.gz DCANWPDWTBTPGD-MHORFTMASA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428143 1367116042 /nfs/dbraw/zinc/11/60/42/1367116042.db2.gz OYDWEZFFMZAJLS-XWSJACJDSA-N 2 1 335.536 3.041 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190246974 1367208696 /nfs/dbraw/zinc/20/86/96/1367208696.db2.gz IZNAHKVCZIOZFX-GBESFXJTSA-N 2 1 337.552 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001190246974 1367208700 /nfs/dbraw/zinc/20/87/00/1367208700.db2.gz IZNAHKVCZIOZFX-GBESFXJTSA-N 2 1 337.552 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190246974 1367208704 /nfs/dbraw/zinc/20/87/04/1367208704.db2.gz IZNAHKVCZIOZFX-GBESFXJTSA-N 2 1 337.552 3.220 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109968612 1367434047 /nfs/dbraw/zinc/43/40/47/1367434047.db2.gz GJIJKDQJONVROL-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923033 1367641387 /nfs/dbraw/zinc/64/13/87/1367641387.db2.gz PSZZSZWFPVJBOW-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923033 1367641388 /nfs/dbraw/zinc/64/13/88/1367641388.db2.gz PSZZSZWFPVJBOW-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923033 1367641391 /nfs/dbraw/zinc/64/13/91/1367641391.db2.gz PSZZSZWFPVJBOW-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193498700 1368045491 /nfs/dbraw/zinc/04/54/91/1368045491.db2.gz HGDWKHMXBKLYOG-KRWDZBQOSA-N 2 1 346.519 3.264 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227336 1368212979 /nfs/dbraw/zinc/21/29/79/1368212979.db2.gz KAPSLGZWTHJHEX-YLJYHZDGSA-N 2 1 343.515 3.249 20 30 EGEDMP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001196936840 1368717120 /nfs/dbraw/zinc/71/71/20/1368717120.db2.gz VLIXYDOOWCRGQM-NHCUHLMSSA-N 2 1 341.499 3.178 20 30 EGEDMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001196936840 1368717127 /nfs/dbraw/zinc/71/71/27/1368717127.db2.gz VLIXYDOOWCRGQM-NHCUHLMSSA-N 2 1 341.499 3.178 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001197396760 1368805618 /nfs/dbraw/zinc/80/56/18/1368805618.db2.gz NCHFPUNMBQBCSM-WOJBJXKFSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001197396760 1368805623 /nfs/dbraw/zinc/80/56/23/1368805623.db2.gz NCHFPUNMBQBCSM-WOJBJXKFSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001197396760 1368805629 /nfs/dbraw/zinc/80/56/29/1368805629.db2.gz NCHFPUNMBQBCSM-WOJBJXKFSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001197477199 1368823277 /nfs/dbraw/zinc/82/32/77/1368823277.db2.gz DEAOIBPWGNTVLH-IBGZPJMESA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477199 1368823285 /nfs/dbraw/zinc/82/32/85/1368823285.db2.gz DEAOIBPWGNTVLH-IBGZPJMESA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001197477199 1368823291 /nfs/dbraw/zinc/82/32/91/1368823291.db2.gz DEAOIBPWGNTVLH-IBGZPJMESA-N 2 1 337.552 3.388 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203652391 1370201923 /nfs/dbraw/zinc/20/19/23/1370201923.db2.gz UGYBYHWBSPHNST-ROUUACIJSA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791971 1370267371 /nfs/dbraw/zinc/26/73/71/1370267371.db2.gz MMKGHIYWLPIWFW-QZTJIDSGSA-N 2 1 335.536 3.090 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115254956 1370344699 /nfs/dbraw/zinc/34/46/99/1370344699.db2.gz SZSGKNKKZYOSRV-KXTWHKPSSA-N 2 1 349.563 3.269 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115535472 1370532131 /nfs/dbraw/zinc/53/21/31/1370532131.db2.gz XIEYLBGYVIZPEI-SFHVURJKSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205339766 1370725659 /nfs/dbraw/zinc/72/56/59/1370725659.db2.gz LWSBZVHMQVGOFU-VQTJNVASSA-N 2 1 349.563 3.291 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)CC[C@@H]1C[NH3+] ZINC001205617472 1370812680 /nfs/dbraw/zinc/81/26/80/1370812680.db2.gz KENVZLIQEPEHGC-GXTWGEPZSA-N 2 1 336.277 3.128 20 30 EGEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001207486343 1371411233 /nfs/dbraw/zinc/41/12/33/1371411233.db2.gz GRHOATBATAHRHR-FQEVSTJZSA-N 2 1 327.472 3.133 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431143 1371574125 /nfs/dbraw/zinc/57/41/25/1371574125.db2.gz PZMGSINMXICXEJ-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431143 1371574129 /nfs/dbraw/zinc/57/41/29/1371574129.db2.gz PZMGSINMXICXEJ-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431143 1371574132 /nfs/dbraw/zinc/57/41/32/1371574132.db2.gz PZMGSINMXICXEJ-RTBURBONSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163488 1371614265 /nfs/dbraw/zinc/61/42/65/1371614265.db2.gz HONWVIQJQFJSPB-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208448338 1371769864 /nfs/dbraw/zinc/76/98/64/1371769864.db2.gz XXIXFRFNEJOZIL-KRWDZBQOSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209006729 1371973175 /nfs/dbraw/zinc/97/31/75/1371973175.db2.gz HNUAXPXQPJDTCK-QZTJIDSGSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209006729 1371973178 /nfs/dbraw/zinc/97/31/78/1371973178.db2.gz HNUAXPXQPJDTCK-QZTJIDSGSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210180022 1372288887 /nfs/dbraw/zinc/28/88/87/1372288887.db2.gz WLTJBUPVAWINES-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210180022 1372288891 /nfs/dbraw/zinc/28/88/91/1372288891.db2.gz WLTJBUPVAWINES-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001210180022 1372288894 /nfs/dbraw/zinc/28/88/94/1372288894.db2.gz WLTJBUPVAWINES-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C#CCCC[C@H]([NH3+])c1nc(-c2ncccc2/C=C/[NH+]2CCCC2)no1 ZINC001212327316 1372687491 /nfs/dbraw/zinc/68/74/91/1372687491.db2.gz ZMKMTSCRTYYSBF-DKGMDFAASA-N 2 1 337.427 3.001 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344994 1373117671 /nfs/dbraw/zinc/11/76/71/1373117671.db2.gz VUDOYHURRBUXDA-GOSISDBHSA-N 2 1 337.552 3.317 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001215020261 1373157725 /nfs/dbraw/zinc/15/77/25/1373157725.db2.gz QNJRMJOKAJYBQX-ZIFCJYIRSA-N 2 1 349.563 3.431 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001215388422 1373204436 /nfs/dbraw/zinc/20/44/36/1373204436.db2.gz CCRHHCYQSMXHQT-MISYRCLQSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001188145402 1388250012 /nfs/dbraw/zinc/25/00/12/1388250012.db2.gz FIJTYXPBLSEOBG-UXHICEINSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001225143341 1375094733 /nfs/dbraw/zinc/09/47/33/1375094733.db2.gz XNCFATPBCOHZED-HXUWFJFHSA-N 2 1 343.515 3.084 20 30 EGEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225590578 1375128111 /nfs/dbraw/zinc/12/81/11/1375128111.db2.gz AFUVSKSINSQSNO-HXUWFJFHSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105507 1375150510 /nfs/dbraw/zinc/15/05/10/1375150510.db2.gz ILRVUZHOZCJCSD-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206363 1375209150 /nfs/dbraw/zinc/20/91/50/1375209150.db2.gz JFRMGXVMJACBEP-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206363 1375209152 /nfs/dbraw/zinc/20/91/52/1375209152.db2.gz JFRMGXVMJACBEP-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206363 1375209155 /nfs/dbraw/zinc/20/91/55/1375209155.db2.gz JFRMGXVMJACBEP-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001132354398 1375326743 /nfs/dbraw/zinc/32/67/43/1375326743.db2.gz LZGFGLDITBBDLI-YLJYHZDGSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)CC[C@H]1C ZINC001132419494 1375365759 /nfs/dbraw/zinc/36/57/59/1375365759.db2.gz CPVKBBCCKFUKJN-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228617726 1375619333 /nfs/dbraw/zinc/61/93/33/1375619333.db2.gz AGXJKFWRNIUVIF-RTBURBONSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001228801522 1375681837 /nfs/dbraw/zinc/68/18/37/1375681837.db2.gz QTJIZGDAETWJFZ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011779 1375709917 /nfs/dbraw/zinc/70/99/17/1375709917.db2.gz MEWMPDGXJXMOFP-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133186663 1375832185 /nfs/dbraw/zinc/83/21/85/1375832185.db2.gz YNCDJLCDIZNWGI-OALUTQOASA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133319974 1375920555 /nfs/dbraw/zinc/92/05/55/1375920555.db2.gz WIPZRVXFNHXRAX-HKUYNNGSSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001230598810 1376095241 /nfs/dbraw/zinc/09/52/41/1376095241.db2.gz ZQGQJIUYSUFZCT-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001230598810 1376095247 /nfs/dbraw/zinc/09/52/47/1376095247.db2.gz ZQGQJIUYSUFZCT-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077657 1376883017 /nfs/dbraw/zinc/88/30/17/1376883017.db2.gz QWOAHFNIOHWUTF-QZTJIDSGSA-N 2 1 337.552 3.480 20 30 EGEDMP N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC001235968626 1376923926 /nfs/dbraw/zinc/92/39/26/1376923926.db2.gz KBIALLVPQDCAHP-OAQYLSRUSA-N 2 1 347.462 3.247 20 30 EGEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]C3)C1 ZINC001235968566 1376924048 /nfs/dbraw/zinc/92/40/48/1376924048.db2.gz ISKWMSDSXAIRKG-FQEVSTJZSA-N 2 1 333.435 3.205 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135691778 1377185655 /nfs/dbraw/zinc/18/56/55/1377185655.db2.gz ZNAOGJVMEGTHJS-CVEARBPZSA-N 2 1 331.932 3.124 20 30 EGEDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CCC#N)C3CCCC3)cc2)CC1 ZINC001140305098 1378042898 /nfs/dbraw/zinc/04/28/98/1378042898.db2.gz MUKBGGVKEOPENJ-UHFFFAOYSA-N 2 1 340.515 3.487 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140801597 1378141668 /nfs/dbraw/zinc/14/16/68/1378141668.db2.gz SUMGAUWWFPBHBT-WOJBJXKFSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801597 1378141669 /nfs/dbraw/zinc/14/16/69/1378141669.db2.gz SUMGAUWWFPBHBT-WOJBJXKFSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801597 1378141671 /nfs/dbraw/zinc/14/16/71/1378141671.db2.gz SUMGAUWWFPBHBT-WOJBJXKFSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153445329 1380078086 /nfs/dbraw/zinc/07/80/86/1380078086.db2.gz CBRROYMPSCALFF-DLBZAZTESA-N 2 1 334.508 3.189 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153445329 1380078089 /nfs/dbraw/zinc/07/80/89/1380078089.db2.gz CBRROYMPSCALFF-DLBZAZTESA-N 2 1 334.508 3.189 20 30 EGEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001154844356 1380363957 /nfs/dbraw/zinc/36/39/57/1380363957.db2.gz CRHDIZYBHXTLCM-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844356 1380363960 /nfs/dbraw/zinc/36/39/60/1380363960.db2.gz CRHDIZYBHXTLCM-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844356 1380363965 /nfs/dbraw/zinc/36/39/65/1380363965.db2.gz CRHDIZYBHXTLCM-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155015980 1380392074 /nfs/dbraw/zinc/39/20/74/1380392074.db2.gz FIPIVEDLCZITHM-QGZVFWFLSA-N 2 1 325.541 3.125 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090398 1381125095 /nfs/dbraw/zinc/12/50/95/1381125095.db2.gz ZRQIYLFTIOHCPJ-PKOBYXMFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090398 1381125098 /nfs/dbraw/zinc/12/50/98/1381125098.db2.gz ZRQIYLFTIOHCPJ-PKOBYXMFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090398 1381125105 /nfs/dbraw/zinc/12/51/05/1381125105.db2.gz ZRQIYLFTIOHCPJ-PKOBYXMFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100006 1381127609 /nfs/dbraw/zinc/12/76/09/1381127609.db2.gz UTBIHICPZHOMAB-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001158486913 1381263915 /nfs/dbraw/zinc/26/39/15/1381263915.db2.gz MMURLDYCGPDAAI-MOPGFXCFSA-N 2 1 337.552 3.386 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001158872329 1381443913 /nfs/dbraw/zinc/44/39/13/1381443913.db2.gz ISFDLSFTKSFTHC-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP Cc1[nH+]c(NCC2CC[NH+](Cc3ccccn3)CC2)ccc1CC#N ZINC001161246526 1382354273 /nfs/dbraw/zinc/35/42/73/1382354273.db2.gz SWXRVTOFCZHIMY-UHFFFAOYSA-N 2 1 335.455 3.175 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161734157 1382492323 /nfs/dbraw/zinc/49/23/23/1382492323.db2.gz VJULFBLSNGFUQM-GOSISDBHSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946962 1382565252 /nfs/dbraw/zinc/56/52/52/1382565252.db2.gz OFWCMJMLDDLLOT-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001161946962 1382565256 /nfs/dbraw/zinc/56/52/56/1382565256.db2.gz OFWCMJMLDDLLOT-FQEVSTJZSA-N 2 1 341.499 3.004 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334207 1383275909 /nfs/dbraw/zinc/27/59/09/1383275909.db2.gz XADXIIJFFFANPY-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694759 1383713408 /nfs/dbraw/zinc/71/34/08/1383713408.db2.gz SLFNLTDXGBONPP-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP C=C(C)C(=O)NCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168017134 1383797503 /nfs/dbraw/zinc/79/75/03/1383797503.db2.gz XGPUGWTWTFMPNO-OPVJXMOQSA-N 2 1 343.515 3.100 20 30 EGEDMP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168105974 1383817823 /nfs/dbraw/zinc/81/78/23/1383817823.db2.gz XUOYZMUXOCDRGH-HUYLIWGRSA-N 2 1 327.472 3.198 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201086 1384467606 /nfs/dbraw/zinc/46/76/06/1384467606.db2.gz HNJKMBMDMLJZHD-VDGAXYAQSA-N 2 1 341.499 3.240 20 30 EGEDMP COc1cccc(C2([NH3+])CC[NH+]([C@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172300156 1384763205 /nfs/dbraw/zinc/76/32/05/1384763205.db2.gz ROVUCQXFZBNYMN-QGZVFWFLSA-N 2 1 349.478 3.448 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304164 1384764331 /nfs/dbraw/zinc/76/43/31/1384764331.db2.gz IJHGJWGGSWBUPO-VDGAXYAQSA-N 2 1 341.499 3.240 20 30 EGEDMP C[C@H](CCCC#N)[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172495349 1384804003 /nfs/dbraw/zinc/80/40/03/1384804003.db2.gz PJIQMJWWRLSIRW-MSOLQXFVSA-N 2 1 345.487 3.417 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529184 1385322654 /nfs/dbraw/zinc/32/26/54/1385322654.db2.gz QTHDLTZCSNAICJ-KRWDZBQOSA-N 2 1 334.508 3.237 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001177341725 1385921547 /nfs/dbraw/zinc/92/15/47/1385921547.db2.gz BBINMOWXOSRZKZ-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CCC ZINC001177466901 1385966714 /nfs/dbraw/zinc/96/67/14/1385966714.db2.gz JRJPREKYDOHTQF-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522992 1386241327 /nfs/dbraw/zinc/24/13/27/1386241327.db2.gz RHMJHLBLUVVNQN-RTBURBONSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178877439 1386335632 /nfs/dbraw/zinc/33/56/32/1386335632.db2.gz AOQXAYQGESSHMZ-UFYCRDLUSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788012 1386585751 /nfs/dbraw/zinc/58/57/51/1386585751.db2.gz JBUMRLDILKEQIH-MOPGFXCFSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179823868 1386596877 /nfs/dbraw/zinc/59/68/77/1386596877.db2.gz FYMRUJGJVFKRCJ-UHFFFAOYSA-N 2 1 334.508 3.204 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001180375435 1386778262 /nfs/dbraw/zinc/77/82/62/1386778262.db2.gz DLJPTWWZKQLZLU-IBGZPJMESA-N 2 1 331.504 3.132 20 30 EGEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899316 1386894475 /nfs/dbraw/zinc/89/44/75/1386894475.db2.gz KTUVEKYOJXQLKD-WSTZPKSXSA-N 2 1 337.552 3.125 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181728575 1387046759 /nfs/dbraw/zinc/04/67/59/1387046759.db2.gz NGBFHZRIDFEYLX-SFHLNBCPSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001731355111 1427296491 /nfs/dbraw/zinc/29/64/91/1427296491.db2.gz IGXIWJKKQQZORO-UXHICEINSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001731355111 1427296495 /nfs/dbraw/zinc/29/64/95/1427296495.db2.gz IGXIWJKKQQZORO-UXHICEINSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001731355111 1427296496 /nfs/dbraw/zinc/29/64/96/1427296496.db2.gz IGXIWJKKQQZORO-UXHICEINSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001731355111 1427296500 /nfs/dbraw/zinc/29/65/00/1427296500.db2.gz IGXIWJKKQQZORO-UXHICEINSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752824777 1440222959 /nfs/dbraw/zinc/22/29/59/1440222959.db2.gz DEIIMAURBBEBLB-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001753336027 1440372297 /nfs/dbraw/zinc/37/22/97/1440372297.db2.gz YJTJNLHVFGQLMB-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001754628459 1440647104 /nfs/dbraw/zinc/64/71/04/1440647104.db2.gz UUIRPNHGISIEOS-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755034309 1440733341 /nfs/dbraw/zinc/73/33/41/1440733341.db2.gz OYQMHBAJDGZIBE-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001755127936 1440756638 /nfs/dbraw/zinc/75/66/38/1440756638.db2.gz PAIJSERKGAEESX-QGZVFWFLSA-N 2 1 346.519 3.334 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001755143485 1440762179 /nfs/dbraw/zinc/76/21/79/1440762179.db2.gz JUEYKZFJLRFHNZ-MSOLQXFVSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001755143485 1440762180 /nfs/dbraw/zinc/76/21/80/1440762180.db2.gz JUEYKZFJLRFHNZ-MSOLQXFVSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001755143485 1440762181 /nfs/dbraw/zinc/76/21/81/1440762181.db2.gz JUEYKZFJLRFHNZ-MSOLQXFVSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001755143994 1440762580 /nfs/dbraw/zinc/76/25/80/1440762580.db2.gz UJPFXCNWOAYZBF-GOSISDBHSA-N 2 1 348.535 3.379 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001755143994 1440762581 /nfs/dbraw/zinc/76/25/81/1440762581.db2.gz UJPFXCNWOAYZBF-GOSISDBHSA-N 2 1 348.535 3.379 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001755198251 1440778072 /nfs/dbraw/zinc/77/80/72/1440778072.db2.gz WUAXTKRJQQGTNO-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755198251 1440778073 /nfs/dbraw/zinc/77/80/73/1440778073.db2.gz WUAXTKRJQQGTNO-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755198251 1440778074 /nfs/dbraw/zinc/77/80/74/1440778074.db2.gz WUAXTKRJQQGTNO-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001755760543 1440914881 /nfs/dbraw/zinc/91/48/81/1440914881.db2.gz OVVWGQALUNPXKF-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001755763294 1440915392 /nfs/dbraw/zinc/91/53/92/1440915392.db2.gz QLBGGPXWJWHUKC-OALUTQOASA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001755764688 1440915850 /nfs/dbraw/zinc/91/58/50/1440915850.db2.gz XZXRZWNCDSSHAO-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001755868721 1440938433 /nfs/dbraw/zinc/93/84/33/1440938433.db2.gz FFRZTQVTWVADEE-LJQANCHMSA-N 2 1 347.547 3.188 20 30 EGEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000191189962 153178396 /nfs/dbraw/zinc/17/83/96/153178396.db2.gz OKGLUQWIOZYFRJ-QAPCUYQASA-N 2 1 328.485 3.131 20 30 EGEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000191189962 153178399 /nfs/dbraw/zinc/17/83/99/153178399.db2.gz OKGLUQWIOZYFRJ-QAPCUYQASA-N 2 1 328.485 3.131 20 30 EGEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000191189946 153179416 /nfs/dbraw/zinc/17/94/16/153179416.db2.gz OKGLUQWIOZYFRJ-YJBOKZPZSA-N 2 1 328.485 3.131 20 30 EGEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1C#N ZINC000191189946 153179420 /nfs/dbraw/zinc/17/94/20/153179420.db2.gz OKGLUQWIOZYFRJ-YJBOKZPZSA-N 2 1 328.485 3.131 20 30 EGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(C#N)cc1 ZINC000248433171 163005580 /nfs/dbraw/zinc/00/55/80/163005580.db2.gz CWTDPCGKCOMKRH-JTSKRJEESA-N 2 1 349.478 3.366 20 30 EGEDMP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109877 453965618 /nfs/dbraw/zinc/96/56/18/453965618.db2.gz WJXNXQAAEHWYMM-NRFANRHFSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109877 453965621 /nfs/dbraw/zinc/96/56/21/453965621.db2.gz WJXNXQAAEHWYMM-NRFANRHFSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109877 453965625 /nfs/dbraw/zinc/96/56/25/453965625.db2.gz WJXNXQAAEHWYMM-NRFANRHFSA-N 2 1 349.478 3.391 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000104176071 454576730 /nfs/dbraw/zinc/57/67/30/454576730.db2.gz YFZALAYSOOENEJ-SFHVURJKSA-N 2 1 326.444 3.033 20 30 EGEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCSCC#N)CC1 ZINC000074990099 454671786 /nfs/dbraw/zinc/67/17/86/454671786.db2.gz MFAKBQJPLGIHDY-UHFFFAOYSA-N 2 1 331.529 3.477 20 30 EGEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+](CC(=C)C)CC2)cc1OC ZINC000106246340 454687998 /nfs/dbraw/zinc/68/79/98/454687998.db2.gz PYDPTNDHBMUQNA-UHFFFAOYSA-N 2 1 330.472 3.390 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563813 454721367 /nfs/dbraw/zinc/72/13/67/454721367.db2.gz GMLXDYUQHRWEIP-HKUYNNGSSA-N 2 1 327.472 3.428 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093563813 454721368 /nfs/dbraw/zinc/72/13/68/454721368.db2.gz GMLXDYUQHRWEIP-HKUYNNGSSA-N 2 1 327.472 3.428 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(COCC)c2)CC1 ZINC000171546649 455076731 /nfs/dbraw/zinc/07/67/31/455076731.db2.gz GUNZWVSFRHFUFY-UHFFFAOYSA-N 2 1 332.488 3.362 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180176558 455144993 /nfs/dbraw/zinc/14/49/93/455144993.db2.gz ZLJYSJQUYSAPNJ-UHFFFAOYSA-N 2 1 349.482 3.089 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000249518034 455760728 /nfs/dbraw/zinc/76/07/28/455760728.db2.gz KNYVNUZXTLYDSR-LFUKPOHLSA-N 2 1 336.483 3.143 20 30 EGEDMP N#CCSCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285549804 455867804 /nfs/dbraw/zinc/86/78/04/455867804.db2.gz MDJLNNYOEADPCN-LJQANCHMSA-N 2 1 329.513 3.231 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc(OC)c1O ZINC000290637487 456390844 /nfs/dbraw/zinc/39/08/44/456390844.db2.gz YIGHCNVVXLZBIU-MSOLQXFVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(OC)c1O ZINC000290637487 456390850 /nfs/dbraw/zinc/39/08/50/456390850.db2.gz YIGHCNVVXLZBIU-MSOLQXFVSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc(OC)c1O ZINC000290637487 456390855 /nfs/dbraw/zinc/39/08/55/456390855.db2.gz YIGHCNVVXLZBIU-MSOLQXFVSA-N 2 1 330.472 3.045 20 30 EGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000348269373 456585545 /nfs/dbraw/zinc/58/55/45/456585545.db2.gz UXLIWDHBWCJCKV-UHFFFAOYSA-N 2 1 334.370 3.187 20 30 EGEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000348269373 456585555 /nfs/dbraw/zinc/58/55/55/456585555.db2.gz UXLIWDHBWCJCKV-UHFFFAOYSA-N 2 1 334.370 3.187 20 30 EGEDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCCCC#N ZINC000360094901 457252957 /nfs/dbraw/zinc/25/29/57/457252957.db2.gz ASWCIRVGYQMDDK-ROUUACIJSA-N 2 1 343.471 3.094 20 30 EGEDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCCCC#N ZINC000360094901 457252961 /nfs/dbraw/zinc/25/29/61/457252961.db2.gz ASWCIRVGYQMDDK-ROUUACIJSA-N 2 1 343.471 3.094 20 30 EGEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000351424528 457285184 /nfs/dbraw/zinc/28/51/84/457285184.db2.gz WJBXMVOYNHGYPZ-NHCUHLMSSA-N 2 1 328.500 3.302 20 30 EGEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351424528 457285189 /nfs/dbraw/zinc/28/51/89/457285189.db2.gz WJBXMVOYNHGYPZ-NHCUHLMSSA-N 2 1 328.500 3.302 20 30 EGEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000351424528 457285193 /nfs/dbraw/zinc/28/51/93/457285193.db2.gz WJBXMVOYNHGYPZ-NHCUHLMSSA-N 2 1 328.500 3.302 20 30 EGEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133355 458013216 /nfs/dbraw/zinc/01/32/16/458013216.db2.gz IUAAJHIXWVFONT-ICSRJNTNSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133355 458013223 /nfs/dbraw/zinc/01/32/23/458013223.db2.gz IUAAJHIXWVFONT-ICSRJNTNSA-N 2 1 327.472 3.285 20 30 EGEDMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCCCC#N ZINC000459732092 458460617 /nfs/dbraw/zinc/46/06/17/458460617.db2.gz MCSRYIVNKDIHIT-KRWDZBQOSA-N 2 1 345.487 3.199 20 30 EGEDMP C=C(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000501888633 459751035 /nfs/dbraw/zinc/75/10/35/459751035.db2.gz PNZTTYVRPWUPNH-UHFFFAOYSA-N 2 1 329.532 3.481 20 30 EGEDMP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000598614043 459963540 /nfs/dbraw/zinc/96/35/40/459963540.db2.gz AKOIPETYERTZCC-MOPGFXCFSA-N 2 1 343.515 3.177 20 30 EGEDMP CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000598614043 459963547 /nfs/dbraw/zinc/96/35/47/459963547.db2.gz AKOIPETYERTZCC-MOPGFXCFSA-N 2 1 343.515 3.177 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700520 459997917 /nfs/dbraw/zinc/99/79/17/459997917.db2.gz OLHQHERIDBPCOM-PXNSSMCTSA-N 2 1 343.515 3.309 20 30 EGEDMP N#Cc1cccc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000602666273 460053972 /nfs/dbraw/zinc/05/39/72/460053972.db2.gz FRQPEEVROAUXGB-IBGZPJMESA-N 2 1 334.467 3.345 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1O ZINC000647543739 461759859 /nfs/dbraw/zinc/75/98/59/461759859.db2.gz ROEPYIKEMAEVGK-RBUKOAKNSA-N 2 1 344.499 3.341 20 30 EGEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000173617587 526373097 /nfs/dbraw/zinc/37/30/97/526373097.db2.gz WBWSYWQLSHIPFI-MRXNPFEDSA-N 2 1 349.544 3.114 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000152976843 526605534 /nfs/dbraw/zinc/60/55/34/526605534.db2.gz CCAUEEIPXRQWDC-GOSISDBHSA-N 3 1 345.531 3.318 20 30 EGEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NCCC(C)C)[NH+]1CCCCC1 ZINC000303886927 1296869503 /nfs/dbraw/zinc/86/95/03/1296869503.db2.gz KMYRQJAIXXOTPK-GOSISDBHSA-N 2 1 346.519 3.173 20 30 EGEDMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877660665 1299461678 /nfs/dbraw/zinc/46/16/78/1299461678.db2.gz QDIQMFNQCAHCPE-DYXWJJEUSA-N 2 1 326.484 3.373 20 30 EGEDMP C#CC[C@H](CCOC)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877660665 1299461684 /nfs/dbraw/zinc/46/16/84/1299461684.db2.gz QDIQMFNQCAHCPE-DYXWJJEUSA-N 2 1 326.484 3.373 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000759745338 1301153409 /nfs/dbraw/zinc/15/34/09/1301153409.db2.gz SIYXMBBFSJZFBL-UHFFFAOYSA-N 2 1 326.444 3.260 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000759745338 1301153415 /nfs/dbraw/zinc/15/34/15/1301153415.db2.gz SIYXMBBFSJZFBL-UHFFFAOYSA-N 2 1 326.444 3.260 20 30 EGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000765013551 1302185020 /nfs/dbraw/zinc/18/50/20/1302185020.db2.gz HWTBVTYXRNNINC-UHFFFAOYSA-N 2 1 337.442 3.494 20 30 EGEDMP CC[C@@H](C#N)Oc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000775408004 1303959468 /nfs/dbraw/zinc/95/94/68/1303959468.db2.gz IRCIGBHCPLFQHF-IBGZPJMESA-N 2 1 327.472 3.332 20 30 EGEDMP C#CCSCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000781421611 1304825445 /nfs/dbraw/zinc/82/54/45/1304825445.db2.gz HTCSWFOZKOKMNB-SLFFLAALSA-N 2 1 328.525 3.243 20 30 EGEDMP C#C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000796949610 1310113893 /nfs/dbraw/zinc/11/38/93/1310113893.db2.gz QOXMQROUMFBYPW-NSKBAKJYSA-N 2 1 326.484 3.200 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957545804 1317441200 /nfs/dbraw/zinc/44/12/00/1317441200.db2.gz UQOKIGSPDJLIEV-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000817919530 1319460169 /nfs/dbraw/zinc/46/01/69/1319460169.db2.gz SOODYRHRINOCIS-LDQXTDLNSA-N 2 1 337.467 3.416 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961380097 1319537515 /nfs/dbraw/zinc/53/75/15/1319537515.db2.gz YWWFANNTYWZSSM-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000819024457 1319617554 /nfs/dbraw/zinc/61/75/54/1319617554.db2.gz QPHRKGDPDDSTPK-KRWDZBQOSA-N 2 1 326.843 3.143 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552291 1319663553 /nfs/dbraw/zinc/66/35/53/1319663553.db2.gz CQMWANNKNXRJSU-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552291 1319663563 /nfs/dbraw/zinc/66/35/63/1319663563.db2.gz CQMWANNKNXRJSU-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552291 1319663579 /nfs/dbraw/zinc/66/35/79/1319663579.db2.gz CQMWANNKNXRJSU-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023646098 1319766070 /nfs/dbraw/zinc/76/60/70/1319766070.db2.gz HUJBJARONIFARJ-IBGZPJMESA-N 2 1 343.515 3.156 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025265016 1324078210 /nfs/dbraw/zinc/07/82/10/1324078210.db2.gz CWINQWIESSXECQ-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025630674 1324482992 /nfs/dbraw/zinc/48/29/92/1324482992.db2.gz UUVBCWSSNMQKBE-ROUUACIJSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947471750 1333141319 /nfs/dbraw/zinc/14/13/19/1333141319.db2.gz FBFXLHLZHDYKED-NVXWUHKLSA-N 2 1 340.471 3.192 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948070343 1333364942 /nfs/dbraw/zinc/36/49/42/1333364942.db2.gz OOVORDGVTXTZNQ-DOTOQJQBSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948070343 1333364943 /nfs/dbraw/zinc/36/49/43/1333364943.db2.gz OOVORDGVTXTZNQ-DOTOQJQBSA-N 2 1 349.906 3.083 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377045 1333502446 /nfs/dbraw/zinc/50/24/46/1333502446.db2.gz GEWPSMBBZFWDJI-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948377045 1333502449 /nfs/dbraw/zinc/50/24/49/1333502449.db2.gz GEWPSMBBZFWDJI-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948377045 1333502452 /nfs/dbraw/zinc/50/24/52/1333502452.db2.gz GEWPSMBBZFWDJI-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034290207 1342375878 /nfs/dbraw/zinc/37/58/78/1342375878.db2.gz YSCWJMZDRLGQTA-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034290207 1342375882 /nfs/dbraw/zinc/37/58/82/1342375882.db2.gz YSCWJMZDRLGQTA-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034290207 1342375884 /nfs/dbraw/zinc/37/58/84/1342375884.db2.gz YSCWJMZDRLGQTA-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184971 1342998829 /nfs/dbraw/zinc/99/88/29/1342998829.db2.gz IXLAFZMPLQIZQX-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184971 1342998833 /nfs/dbraw/zinc/99/88/33/1342998833.db2.gz IXLAFZMPLQIZQX-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184971 1342998837 /nfs/dbraw/zinc/99/88/37/1342998837.db2.gz IXLAFZMPLQIZQX-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153962 1344837477 /nfs/dbraw/zinc/83/74/77/1344837477.db2.gz LWNFVZMZZHEMPW-WOJBJXKFSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039301714 1345004251 /nfs/dbraw/zinc/00/42/51/1345004251.db2.gz NLOYLKLWJVSUPW-RAFMOHDBSA-N 2 1 347.547 3.327 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039397903 1345045540 /nfs/dbraw/zinc/04/55/40/1345045540.db2.gz GHLQERZZNQFDLA-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397903 1345045545 /nfs/dbraw/zinc/04/55/45/1345045545.db2.gz GHLQERZZNQFDLA-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397903 1345045547 /nfs/dbraw/zinc/04/55/47/1345045547.db2.gz GHLQERZZNQFDLA-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001039474438 1345089154 /nfs/dbraw/zinc/08/91/54/1345089154.db2.gz ICZBBYJVWDUSGR-HSALFYBXSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230423 1345386317 /nfs/dbraw/zinc/38/63/17/1345386317.db2.gz CEMNEVBSWDKWAP-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230423 1345386321 /nfs/dbraw/zinc/38/63/21/1345386321.db2.gz CEMNEVBSWDKWAP-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230423 1345386326 /nfs/dbraw/zinc/38/63/26/1345386326.db2.gz CEMNEVBSWDKWAP-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545600 1345540327 /nfs/dbraw/zinc/54/03/27/1345540327.db2.gz RRZRAYSPZLVQDO-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545600 1345540331 /nfs/dbraw/zinc/54/03/31/1345540331.db2.gz RRZRAYSPZLVQDO-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545600 1345540333 /nfs/dbraw/zinc/54/03/33/1345540333.db2.gz RRZRAYSPZLVQDO-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040702787 1345567667 /nfs/dbraw/zinc/56/76/67/1345567667.db2.gz YWHZISNHYJUYPT-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945155 1346780754 /nfs/dbraw/zinc/78/07/54/1346780754.db2.gz NKGUJBJJVNQIAA-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945155 1346780755 /nfs/dbraw/zinc/78/07/55/1346780755.db2.gz NKGUJBJJVNQIAA-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945155 1346780757 /nfs/dbraw/zinc/78/07/57/1346780757.db2.gz NKGUJBJJVNQIAA-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045964618 1346799616 /nfs/dbraw/zinc/79/96/16/1346799616.db2.gz MTPMZRUHYVYXGX-CTNGQTDRSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048590598 1347609920 /nfs/dbraw/zinc/60/99/20/1347609920.db2.gz QGVQLYDQHCGXRE-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590598 1347609921 /nfs/dbraw/zinc/60/99/21/1347609921.db2.gz QGVQLYDQHCGXRE-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590598 1347609922 /nfs/dbraw/zinc/60/99/22/1347609922.db2.gz QGVQLYDQHCGXRE-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049476984 1347868162 /nfs/dbraw/zinc/86/81/62/1347868162.db2.gz DXPCNSRMIOOWFS-RTBURBONSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001050574823 1348292142 /nfs/dbraw/zinc/29/21/42/1348292142.db2.gz WNICPRMVSPBJKK-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001050573065 1348292208 /nfs/dbraw/zinc/29/22/08/1348292208.db2.gz DTKJKYAJIZYCLA-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954068 1348768420 /nfs/dbraw/zinc/76/84/20/1348768420.db2.gz KRARHDVLWFNPED-GOSISDBHSA-N 2 1 349.906 3.085 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053107996 1348947816 /nfs/dbraw/zinc/94/78/16/1348947816.db2.gz OGFKDKVAFSWWEQ-WOJBJXKFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071509008 1354733965 /nfs/dbraw/zinc/73/39/65/1354733965.db2.gz WGJGNIJBUFWLRW-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071546371 1354758743 /nfs/dbraw/zinc/75/87/43/1354758743.db2.gz KSXYCTKXUGLNSL-WBVHZDCISA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@H]1C ZINC001071546371 1354758747 /nfs/dbraw/zinc/75/87/47/1354758747.db2.gz KSXYCTKXUGLNSL-WBVHZDCISA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404564 1360403375 /nfs/dbraw/zinc/40/33/75/1360403375.db2.gz WLFUGLWBNVTWKA-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404564 1360403376 /nfs/dbraw/zinc/40/33/76/1360403376.db2.gz WLFUGLWBNVTWKA-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404564 1360403378 /nfs/dbraw/zinc/40/33/78/1360403378.db2.gz WLFUGLWBNVTWKA-MOPGFXCFSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183255794 1387286506 /nfs/dbraw/zinc/28/65/06/1387286506.db2.gz PWRLFIAXOPNNNI-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840915 1359674671 /nfs/dbraw/zinc/67/46/71/1359674671.db2.gz UCZYRKMRCURILY-ZWKOTPCHSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840915 1359674674 /nfs/dbraw/zinc/67/46/74/1359674674.db2.gz UCZYRKMRCURILY-ZWKOTPCHSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001088367630 1359852280 /nfs/dbraw/zinc/85/22/80/1359852280.db2.gz OURHPOYXHFYIMY-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089406155 1360404630 /nfs/dbraw/zinc/40/46/30/1360404630.db2.gz HUFZIRBBPHRSKM-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406155 1360404631 /nfs/dbraw/zinc/40/46/31/1360404631.db2.gz HUFZIRBBPHRSKM-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406155 1360404633 /nfs/dbraw/zinc/40/46/33/1360404633.db2.gz HUFZIRBBPHRSKM-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184609918 1387500021 /nfs/dbraw/zinc/50/00/21/1387500021.db2.gz YVHRCXUROCCOMG-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184809404 1387543500 /nfs/dbraw/zinc/54/35/00/1387543500.db2.gz FUQFSIJXAZXENS-MJGOQNOKSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C2 ZINC001097705623 1363105714 /nfs/dbraw/zinc/10/57/14/1363105714.db2.gz SWZRHAMELSYYEC-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C2 ZINC001097705623 1363105715 /nfs/dbraw/zinc/10/57/15/1363105715.db2.gz SWZRHAMELSYYEC-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C2 ZINC001097705623 1363105717 /nfs/dbraw/zinc/10/57/17/1363105717.db2.gz SWZRHAMELSYYEC-ZRNYENFQSA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099311290 1363744804 /nfs/dbraw/zinc/74/48/04/1363744804.db2.gz ZZKNTROAXREHSK-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001101548903 1364612557 /nfs/dbraw/zinc/61/25/57/1364612557.db2.gz POPNDLSCEVLNAM-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001101549018 1364612595 /nfs/dbraw/zinc/61/25/95/1364612595.db2.gz WPZUVQICPXCZHQ-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101963305 1364792062 /nfs/dbraw/zinc/79/20/62/1364792062.db2.gz UQVRWCCCKIOWAV-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963305 1364792066 /nfs/dbraw/zinc/79/20/66/1364792066.db2.gz UQVRWCCCKIOWAV-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101963305 1364792069 /nfs/dbraw/zinc/79/20/69/1364792069.db2.gz UQVRWCCCKIOWAV-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060552 1364828694 /nfs/dbraw/zinc/82/86/94/1364828694.db2.gz GAUBTGCNUJRCFT-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102060552 1364828697 /nfs/dbraw/zinc/82/86/97/1364828697.db2.gz GAUBTGCNUJRCFT-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102060552 1364828699 /nfs/dbraw/zinc/82/86/99/1364828699.db2.gz GAUBTGCNUJRCFT-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001185546394 1387744446 /nfs/dbraw/zinc/74/44/46/1387744446.db2.gz BKYKWKNOHXPGIX-OALUTQOASA-N 2 1 339.568 3.373 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001103443775 1365563738 /nfs/dbraw/zinc/56/37/38/1365563738.db2.gz LSSZVEZTYVOFAU-QRVBRYPASA-N 2 1 339.568 3.371 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001105563711 1366533005 /nfs/dbraw/zinc/53/30/05/1366533005.db2.gz RCWARDSWZYJUCO-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577111 1366541421 /nfs/dbraw/zinc/54/14/21/1366541421.db2.gz QQNDRMJMHRTJST-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673370 1366770506 /nfs/dbraw/zinc/77/05/06/1366770506.db2.gz WWRNWTKCHALZPK-FGTMMUONSA-N 2 1 337.552 3.003 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715900 1366779612 /nfs/dbraw/zinc/77/96/12/1366779612.db2.gz ONPJCXPNWKZZMH-KZNAEPCWSA-N 2 1 346.519 3.045 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107533744 1367025210 /nfs/dbraw/zinc/02/52/10/1367025210.db2.gz DODVEMIIUMRZPH-UYAOXDASSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107644827 1367090900 /nfs/dbraw/zinc/09/09/00/1367090900.db2.gz INVBSCRNJAAKPN-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190493253 1367276589 /nfs/dbraw/zinc/27/65/89/1367276589.db2.gz WVFNSEUFGOQQKG-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190493253 1367276594 /nfs/dbraw/zinc/27/65/94/1367276594.db2.gz WVFNSEUFGOQQKG-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001190493253 1367276599 /nfs/dbraw/zinc/27/65/99/1367276599.db2.gz WVFNSEUFGOQQKG-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744554 1367340523 /nfs/dbraw/zinc/34/05/23/1367340523.db2.gz RNDGKSIULBCCAF-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190744554 1367340535 /nfs/dbraw/zinc/34/05/35/1367340535.db2.gz RNDGKSIULBCCAF-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190744554 1367340538 /nfs/dbraw/zinc/34/05/38/1367340538.db2.gz RNDGKSIULBCCAF-RTBURBONSA-N 2 1 337.552 3.364 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860247 1367363840 /nfs/dbraw/zinc/36/38/40/1367363840.db2.gz RVODZSCJIIPVDL-YDZRNGNQSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109860267 1367364471 /nfs/dbraw/zinc/36/44/71/1367364471.db2.gz UACZMJLGVVMJEH-YDZRNGNQSA-N 2 1 335.536 3.041 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191145371 1367431775 /nfs/dbraw/zinc/43/17/75/1367431775.db2.gz TYZMVEIROPUWMS-GOSISDBHSA-N 2 1 335.536 3.118 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191968282 1367651806 /nfs/dbraw/zinc/65/18/06/1367651806.db2.gz RKXQTQYFGKSNMS-FHWLQOOXSA-N 2 1 337.552 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001191968282 1367651814 /nfs/dbraw/zinc/65/18/14/1367651814.db2.gz RKXQTQYFGKSNMS-FHWLQOOXSA-N 2 1 337.552 3.220 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191968282 1367651823 /nfs/dbraw/zinc/65/18/23/1367651823.db2.gz RKXQTQYFGKSNMS-FHWLQOOXSA-N 2 1 337.552 3.220 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001110565899 1367837651 /nfs/dbraw/zinc/83/76/51/1367837651.db2.gz RIUHMBKZNXEALP-MKXGPGLRSA-N 2 1 347.547 3.327 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111028213 1368144781 /nfs/dbraw/zinc/14/47/81/1368144781.db2.gz NXPDWYBGMXOIAH-QRVBRYPASA-N 2 1 349.563 3.410 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111028213 1368144792 /nfs/dbraw/zinc/14/47/92/1368144792.db2.gz NXPDWYBGMXOIAH-QRVBRYPASA-N 2 1 349.563 3.410 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001111028213 1368144794 /nfs/dbraw/zinc/14/47/94/1368144794.db2.gz NXPDWYBGMXOIAH-QRVBRYPASA-N 2 1 349.563 3.410 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028816 1368145405 /nfs/dbraw/zinc/14/54/05/1368145405.db2.gz RZIYMVQDMNCPHP-QRVBRYPASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028816 1368145406 /nfs/dbraw/zinc/14/54/06/1368145406.db2.gz RZIYMVQDMNCPHP-QRVBRYPASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028816 1368145409 /nfs/dbraw/zinc/14/54/09/1368145409.db2.gz RZIYMVQDMNCPHP-QRVBRYPASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078043 1368153413 /nfs/dbraw/zinc/15/34/13/1368153413.db2.gz HEEJQSZZJUMWNG-MLHJIOFPSA-N 2 1 344.503 3.083 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001111078043 1368153418 /nfs/dbraw/zinc/15/34/18/1368153418.db2.gz HEEJQSZZJUMWNG-MLHJIOFPSA-N 2 1 344.503 3.083 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194274233 1368221347 /nfs/dbraw/zinc/22/13/47/1368221347.db2.gz GEFILLIMDPSXCX-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186362058 1387929450 /nfs/dbraw/zinc/92/94/50/1387929450.db2.gz DWHLLHFDPWNAQN-GOSISDBHSA-N 2 1 334.508 3.133 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869872 1368517105 /nfs/dbraw/zinc/51/71/05/1368517105.db2.gz OAFQZPRKFMTLNU-NSHGMRRFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197332667 1368790383 /nfs/dbraw/zinc/79/03/83/1368790383.db2.gz YAVIKTAFDMXBRL-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332667 1368790388 /nfs/dbraw/zinc/79/03/88/1368790388.db2.gz YAVIKTAFDMXBRL-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332667 1368790391 /nfs/dbraw/zinc/79/03/91/1368790391.db2.gz YAVIKTAFDMXBRL-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410630 1368831088 /nfs/dbraw/zinc/83/10/88/1368831088.db2.gz IMTYPEHXEGVUMV-ZVDOUQERSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001197769782 1368892662 /nfs/dbraw/zinc/89/26/62/1368892662.db2.gz ZCYLVGDHNRDRSW-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001197769782 1368892667 /nfs/dbraw/zinc/89/26/67/1368892667.db2.gz ZCYLVGDHNRDRSW-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001197769782 1368892669 /nfs/dbraw/zinc/89/26/69/1368892669.db2.gz ZCYLVGDHNRDRSW-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001198221445 1368983297 /nfs/dbraw/zinc/98/32/97/1368983297.db2.gz JPXXJHNULAIOPY-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001186605773 1387985277 /nfs/dbraw/zinc/98/52/77/1387985277.db2.gz UIZOAESBHNRMHD-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201231145 1369500838 /nfs/dbraw/zinc/50/08/38/1369500838.db2.gz ZGFJDQKAFPKQTN-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001114724305 1370047172 /nfs/dbraw/zinc/04/71/72/1370047172.db2.gz KFRFCLHMTLCVCG-VNTMZGSJSA-N 2 1 349.563 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001114724305 1370047174 /nfs/dbraw/zinc/04/71/74/1370047174.db2.gz KFRFCLHMTLCVCG-VNTMZGSJSA-N 2 1 349.563 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001114724305 1370047179 /nfs/dbraw/zinc/04/71/79/1370047179.db2.gz KFRFCLHMTLCVCG-VNTMZGSJSA-N 2 1 349.563 3.125 20 30 EGEDMP C[NH+](C)CCCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001204270607 1370427671 /nfs/dbraw/zinc/42/76/71/1370427671.db2.gz WNNOAUSHANEBQJ-LDLYASANSA-N 2 1 327.472 3.284 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@H]1C[NH3+] ZINC001205136319 1370660217 /nfs/dbraw/zinc/66/02/17/1370660217.db2.gz XRNVNGUEVWCRMZ-QFBILLFUSA-N 2 1 334.467 3.353 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2C#N)CCC[C@H]1C[NH3+] ZINC001206004131 1370935502 /nfs/dbraw/zinc/93/55/02/1370935502.db2.gz QPCQKGXBJDVLRS-OLZOCXBDSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)CCC[C@H]1C[NH3+] ZINC001206004131 1370935508 /nfs/dbraw/zinc/93/55/08/1370935508.db2.gz QPCQKGXBJDVLRS-OLZOCXBDSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952367 1371243107 /nfs/dbraw/zinc/24/31/07/1371243107.db2.gz LWZHGSHQJODEFV-HKUYNNGSSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001207232694 1371336596 /nfs/dbraw/zinc/33/65/96/1371336596.db2.gz XOFVEWJWJAFWQR-KZNAEPCWSA-N 2 1 343.531 3.073 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001120189660 1371503209 /nfs/dbraw/zinc/50/32/09/1371503209.db2.gz NFNNVPPCCYVOQU-IYBDPMFKSA-N 2 1 341.927 3.020 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001120212883 1371506326 /nfs/dbraw/zinc/50/63/26/1371506326.db2.gz CURAWHLGBGKVIJ-LJQANCHMSA-N 2 1 343.515 3.274 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208335667 1371723389 /nfs/dbraw/zinc/72/33/89/1371723389.db2.gz XVSRJZSETYKSMK-ZWKOTPCHSA-N 2 1 346.519 3.312 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208757479 1371885841 /nfs/dbraw/zinc/88/58/41/1371885841.db2.gz DXCIGYVICLENKK-SFHVURJKSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCCCC[NH+]1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001209441264 1372107175 /nfs/dbraw/zinc/10/71/75/1372107175.db2.gz IXKRMJFORMEDID-WOJBJXKFSA-N 2 1 338.536 3.182 20 30 EGEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001209441264 1372107179 /nfs/dbraw/zinc/10/71/79/1372107179.db2.gz IXKRMJFORMEDID-WOJBJXKFSA-N 2 1 338.536 3.182 20 30 EGEDMP C=CCCCCCCC[N@H+]1CC[C@@H]2C[NH+](CCOC)CCO[C@@H]2C1 ZINC001209441264 1372107183 /nfs/dbraw/zinc/10/71/83/1372107183.db2.gz IXKRMJFORMEDID-WOJBJXKFSA-N 2 1 338.536 3.182 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122057088 1372164382 /nfs/dbraw/zinc/16/43/82/1372164382.db2.gz UMQXFPYVSFFYBX-GGQJKKPXSA-N 2 1 349.563 3.316 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122057089 1372164489 /nfs/dbraw/zinc/16/44/89/1372164489.db2.gz UMQXFPYVSFFYBX-PMRGXDQWSA-N 2 1 349.563 3.316 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584654 1372385077 /nfs/dbraw/zinc/38/50/77/1372385077.db2.gz JOHIYEGAXQBYLS-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210643520 1372398790 /nfs/dbraw/zinc/39/87/90/1372398790.db2.gz JVASWDFKPBDZMD-WOJBJXKFSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001132150964 1375171463 /nfs/dbraw/zinc/17/14/63/1375171463.db2.gz ZWPGKZBDMITBJD-MOPGFXCFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132153641 1375172469 /nfs/dbraw/zinc/17/24/69/1375172469.db2.gz RTTLUEIZHBSKIO-QZTJIDSGSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132153641 1375172471 /nfs/dbraw/zinc/17/24/71/1375172471.db2.gz RTTLUEIZHBSKIO-QZTJIDSGSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132153641 1375172473 /nfs/dbraw/zinc/17/24/73/1375172473.db2.gz RTTLUEIZHBSKIO-QZTJIDSGSA-N 2 1 337.552 3.432 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202197 1375205976 /nfs/dbraw/zinc/20/59/76/1375205976.db2.gz DQVPXHPVNPMPID-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@H]1C ZINC001132206362 1375208945 /nfs/dbraw/zinc/20/89/45/1375208945.db2.gz JFRMGXVMJACBEP-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206362 1375208948 /nfs/dbraw/zinc/20/89/48/1375208948.db2.gz JFRMGXVMJACBEP-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001132206362 1375208953 /nfs/dbraw/zinc/20/89/53/1375208953.db2.gz JFRMGXVMJACBEP-MSOLQXFVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132211717 1375211951 /nfs/dbraw/zinc/21/19/51/1375211951.db2.gz QMMYFFHCYSCUGZ-QZTJIDSGSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001132436749 1375381455 /nfs/dbraw/zinc/38/14/55/1375381455.db2.gz NQBYEFQCVSQDIE-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132436749 1375381457 /nfs/dbraw/zinc/38/14/57/1375381457.db2.gz NQBYEFQCVSQDIE-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)CC[C@@H]1C ZINC001132436749 1375381462 /nfs/dbraw/zinc/38/14/62/1375381462.db2.gz NQBYEFQCVSQDIE-OALUTQOASA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227307503 1375418339 /nfs/dbraw/zinc/41/83/39/1375418339.db2.gz CHAYAQRXNFCLCG-LJQANCHMSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132977203 1375690535 /nfs/dbraw/zinc/69/05/35/1375690535.db2.gz KNLDXRKYYGIZTH-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077088 1376881321 /nfs/dbraw/zinc/88/13/21/1376881321.db2.gz LDFLOYLCWCBJEH-HOTGVXAUSA-N 2 1 343.943 3.266 20 30 EGEDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001137121636 1377482163 /nfs/dbraw/zinc/48/21/63/1377482163.db2.gz WMXJEIRVZHURJH-OALUTQOASA-N 2 1 327.472 3.428 20 30 EGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001137121636 1377482166 /nfs/dbraw/zinc/48/21/66/1377482166.db2.gz WMXJEIRVZHURJH-OALUTQOASA-N 2 1 327.472 3.428 20 30 EGEDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001137121636 1377482168 /nfs/dbraw/zinc/48/21/68/1377482168.db2.gz WMXJEIRVZHURJH-OALUTQOASA-N 2 1 327.472 3.428 20 30 EGEDMP CN1CCC([N@@H+](Cc2ccc(OCC#N)cc2)C2CCCC2)CC1 ZINC001137124249 1377482548 /nfs/dbraw/zinc/48/25/48/1377482548.db2.gz YXVWJNCJFKZVTI-UHFFFAOYSA-N 2 1 327.472 3.428 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153818949 1380136151 /nfs/dbraw/zinc/13/61/51/1380136151.db2.gz HCNKWFNOCAQFMJ-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153818949 1380136152 /nfs/dbraw/zinc/13/61/52/1380136152.db2.gz HCNKWFNOCAQFMJ-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153818949 1380136153 /nfs/dbraw/zinc/13/61/53/1380136153.db2.gz HCNKWFNOCAQFMJ-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001156318490 1380557401 /nfs/dbraw/zinc/55/74/01/1380557401.db2.gz BYSZSVPYQLIYFI-UYAOXDASSA-N 2 1 345.531 3.472 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318490 1380557402 /nfs/dbraw/zinc/55/74/02/1380557402.db2.gz BYSZSVPYQLIYFI-UYAOXDASSA-N 2 1 345.531 3.472 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001156318490 1380557405 /nfs/dbraw/zinc/55/74/05/1380557405.db2.gz BYSZSVPYQLIYFI-UYAOXDASSA-N 2 1 345.531 3.472 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001158549377 1381292156 /nfs/dbraw/zinc/29/21/56/1381292156.db2.gz DGFJBBAEOVSNLV-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC001158605253 1381316440 /nfs/dbraw/zinc/31/64/40/1381316440.db2.gz RTLJVIGLXUXDBJ-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001158605253 1381316443 /nfs/dbraw/zinc/31/64/43/1381316443.db2.gz RTLJVIGLXUXDBJ-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCCCCC ZINC001158605253 1381316448 /nfs/dbraw/zinc/31/64/48/1381316448.db2.gz RTLJVIGLXUXDBJ-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158856416 1381437025 /nfs/dbraw/zinc/43/70/25/1381437025.db2.gz FVBKKNWAGDYELI-RTBURBONSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158856416 1381437030 /nfs/dbraw/zinc/43/70/30/1381437030.db2.gz FVBKKNWAGDYELI-RTBURBONSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158856416 1381437039 /nfs/dbraw/zinc/43/70/39/1381437039.db2.gz FVBKKNWAGDYELI-RTBURBONSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160121300 1382004501 /nfs/dbraw/zinc/00/45/01/1382004501.db2.gz WARFYXDVHHRVQU-QUCCMNQESA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160121300 1382004506 /nfs/dbraw/zinc/00/45/06/1382004506.db2.gz WARFYXDVHHRVQU-QUCCMNQESA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160121300 1382004510 /nfs/dbraw/zinc/00/45/10/1382004510.db2.gz WARFYXDVHHRVQU-QUCCMNQESA-N 2 1 347.547 3.352 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001160292114 1382064261 /nfs/dbraw/zinc/06/42/61/1382064261.db2.gz LVOKALWKXIMQJT-UHFFFAOYSA-N 2 1 347.528 3.138 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352472 1382081114 /nfs/dbraw/zinc/08/11/14/1382081114.db2.gz IUMAXRBDHIWEMP-FQEVSTJZSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352472 1382081118 /nfs/dbraw/zinc/08/11/18/1382081118.db2.gz IUMAXRBDHIWEMP-FQEVSTJZSA-N 2 1 347.547 3.069 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352472 1382081122 /nfs/dbraw/zinc/08/11/22/1382081122.db2.gz IUMAXRBDHIWEMP-FQEVSTJZSA-N 2 1 347.547 3.069 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160367685 1382084343 /nfs/dbraw/zinc/08/43/43/1382084343.db2.gz SKIWZRVIRAYHSA-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C[NH+](C)C1(CNc2ccc3cc(C#N)c(C#N)cc3c2)CC[NH+](C)CC1 ZINC001164217579 1383167197 /nfs/dbraw/zinc/16/71/97/1383167197.db2.gz YCMBQKFVKCQDSL-UHFFFAOYSA-N 2 1 347.466 3.021 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167236248 1383572043 /nfs/dbraw/zinc/57/20/43/1383572043.db2.gz IQOSYNZPEIXETO-ZWKOTPCHSA-N 2 1 337.552 3.031 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170862488 1384400930 /nfs/dbraw/zinc/40/09/30/1384400930.db2.gz MYQMKZHONSMOFB-GUDVDZBRSA-N 2 1 337.552 3.338 20 30 EGEDMP CC1(C)C[C@@H]([NH2+]Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171975132 1384700504 /nfs/dbraw/zinc/70/05/04/1384700504.db2.gz LDEYZHAPWWNTSQ-FQEVSTJZSA-N 2 1 334.467 3.486 20 30 EGEDMP CC1(C)C[C@@H]([NH2+]Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC001171975132 1384700508 /nfs/dbraw/zinc/70/05/08/1384700508.db2.gz LDEYZHAPWWNTSQ-FQEVSTJZSA-N 2 1 334.467 3.486 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[NH+]([C@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC001172116053 1384732844 /nfs/dbraw/zinc/73/28/44/1384732844.db2.gz CWRBMFBSTQOUEB-PXCRPINLSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116053 1384732848 /nfs/dbraw/zinc/73/28/48/1384732848.db2.gz CWRBMFBSTQOUEB-PXCRPINLSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)C2 ZINC001172116053 1384732852 /nfs/dbraw/zinc/73/28/52/1384732852.db2.gz CWRBMFBSTQOUEB-PXCRPINLSA-N 2 1 345.531 3.035 20 30 EGEDMP COC1CC[NH+](C2CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)CC1 ZINC001172312552 1384767125 /nfs/dbraw/zinc/76/71/25/1384767125.db2.gz GTDXWRCLCOJTKX-KRWDZBQOSA-N 2 1 341.499 3.064 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271399 1385236573 /nfs/dbraw/zinc/23/65/73/1385236573.db2.gz BBENBLFOUOSBAW-QZTJIDSGSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176167328 1385501270 /nfs/dbraw/zinc/50/12/70/1385501270.db2.gz XWDKNNVANIEOGM-OALUTQOASA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177017050 1385773111 /nfs/dbraw/zinc/77/31/11/1385773111.db2.gz WWTGBBNQEXTBNF-IBGZPJMESA-N 2 1 331.504 3.132 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001177317171 1385911400 /nfs/dbraw/zinc/91/14/00/1385911400.db2.gz PDNNAWGTOWDNKP-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328423 1385915794 /nfs/dbraw/zinc/91/57/94/1385915794.db2.gz KEHUIWSDSGJRMP-UYAOXDASSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001319378130 1386091488 /nfs/dbraw/zinc/09/14/88/1386091488.db2.gz VLHKRYFEGPNZFS-MRXNPFEDSA-N 2 1 341.927 3.020 20 30 EGEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490745 1386234339 /nfs/dbraw/zinc/23/43/39/1386234339.db2.gz SEZTZDVAGVJIRH-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001178527576 1386241705 /nfs/dbraw/zinc/24/17/05/1386241705.db2.gz OVQRYEAIBLPRMV-KRWDZBQOSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688721 1386278171 /nfs/dbraw/zinc/27/81/71/1386278171.db2.gz HUKWJBQJXCJHCX-GBESFXJTSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179651586 1386540363 /nfs/dbraw/zinc/54/03/63/1386540363.db2.gz JIUXTPMGVHDJNY-BZSNNMDCSA-N 2 1 346.519 3.330 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788013 1386586021 /nfs/dbraw/zinc/58/60/21/1386586021.db2.gz JBUMRLDILKEQIH-OALUTQOASA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179823894 1386596463 /nfs/dbraw/zinc/59/64/63/1386596463.db2.gz HFHPQIPAIBKQMK-UHFFFAOYSA-N 2 1 334.508 3.204 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713891361 1418687903 /nfs/dbraw/zinc/68/79/03/1418687903.db2.gz HUFBNWHWIWELKH-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713891361 1418687904 /nfs/dbraw/zinc/68/79/04/1418687904.db2.gz HUFBNWHWIWELKH-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713891361 1418687906 /nfs/dbraw/zinc/68/79/06/1418687906.db2.gz HUFBNWHWIWELKH-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001752708141 1440203156 /nfs/dbraw/zinc/20/31/56/1440203156.db2.gz RLJSTHWEOCLSNK-PMACEKPBSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752840750 1440230213 /nfs/dbraw/zinc/23/02/13/1440230213.db2.gz MGJNNUKUOYWHRX-QZTJIDSGSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001752840750 1440230214 /nfs/dbraw/zinc/23/02/14/1440230214.db2.gz MGJNNUKUOYWHRX-QZTJIDSGSA-N 2 1 346.519 3.189 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001753877003 1440519740 /nfs/dbraw/zinc/51/97/40/1440519740.db2.gz CYIZCHDSEJLIPJ-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001754546582 1440627730 /nfs/dbraw/zinc/62/77/30/1440627730.db2.gz INUHJDGGASGZNL-RAFMOHDBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754685753 1440664978 /nfs/dbraw/zinc/66/49/78/1440664978.db2.gz QXXHCIHBACUBTO-GHTZIAJQSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754685753 1440664979 /nfs/dbraw/zinc/66/49/79/1440664979.db2.gz QXXHCIHBACUBTO-GHTZIAJQSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001754685753 1440664980 /nfs/dbraw/zinc/66/49/80/1440664980.db2.gz QXXHCIHBACUBTO-GHTZIAJQSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001754685753 1440664981 /nfs/dbraw/zinc/66/49/81/1440664981.db2.gz QXXHCIHBACUBTO-GHTZIAJQSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001754696705 1440667191 /nfs/dbraw/zinc/66/71/91/1440667191.db2.gz BQMUOKKZNSIVKQ-CTNGQTDRSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001754786544 1440687990 /nfs/dbraw/zinc/68/79/90/1440687990.db2.gz ZMWYBNPQOSQGDR-FQEVSTJZSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001755184246 1440772494 /nfs/dbraw/zinc/77/24/94/1440772494.db2.gz QSHLKDUQPOLIBT-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001755184246 1440772495 /nfs/dbraw/zinc/77/24/95/1440772495.db2.gz QSHLKDUQPOLIBT-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001755184246 1440772496 /nfs/dbraw/zinc/77/24/96/1440772496.db2.gz QSHLKDUQPOLIBT-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755282162 1440800928 /nfs/dbraw/zinc/80/09/28/1440800928.db2.gz HYFNVMXYQLBJDR-IBGZPJMESA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001755366938 1440835176 /nfs/dbraw/zinc/83/51/76/1440835176.db2.gz ATFCFKHKQPJZRP-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001755366938 1440835177 /nfs/dbraw/zinc/83/51/77/1440835177.db2.gz ATFCFKHKQPJZRP-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001755366938 1440835178 /nfs/dbraw/zinc/83/51/78/1440835178.db2.gz ATFCFKHKQPJZRP-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285524257 267010050 /nfs/dbraw/zinc/01/00/50/267010050.db2.gz FBWCVIUCLYAKGO-GOSISDBHSA-N 2 1 340.515 3.381 20 30 EGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000249092023 308018701 /nfs/dbraw/zinc/01/87/01/308018701.db2.gz DNVAGEARSJKLMP-CEXWTWQISA-N 2 1 340.515 3.110 20 30 EGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000249092023 308018702 /nfs/dbraw/zinc/01/87/02/308018702.db2.gz DNVAGEARSJKLMP-CEXWTWQISA-N 2 1 340.515 3.110 20 30 EGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249254584 308021584 /nfs/dbraw/zinc/02/15/84/308021584.db2.gz GHKDFXYECMZJHY-FGTMMUONSA-N 2 1 341.499 3.440 20 30 EGEDMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OCCCC#N ZINC000064613777 454493626 /nfs/dbraw/zinc/49/36/26/454493626.db2.gz HEFCNLDCUHMPBI-UHFFFAOYSA-N 2 1 343.471 3.094 20 30 EGEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000104154958 454576734 /nfs/dbraw/zinc/57/67/34/454576734.db2.gz QEIYDECMIJWXSZ-QGZVFWFLSA-N 2 1 326.444 3.460 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000153035235 454755213 /nfs/dbraw/zinc/75/52/13/454755213.db2.gz DGNMYJWTYYFZJC-KRWDZBQOSA-N 2 1 329.488 3.058 20 30 EGEDMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000108371416 454795232 /nfs/dbraw/zinc/79/52/32/454795232.db2.gz ZHCZCNRXOAZQGB-UHFFFAOYSA-N 2 1 348.878 3.003 20 30 EGEDMP COc1ccc(C#N)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743561 455612489 /nfs/dbraw/zinc/61/24/89/455612489.db2.gz QBVXVRJIYUWIIU-DOTOQJQBSA-N 2 1 327.472 3.309 20 30 EGEDMP COc1ccc(C#N)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743561 455612491 /nfs/dbraw/zinc/61/24/91/455612491.db2.gz QBVXVRJIYUWIIU-DOTOQJQBSA-N 2 1 327.472 3.309 20 30 EGEDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OCCCC#N)c3)CC[C@H]21 ZINC000252802546 455829601 /nfs/dbraw/zinc/82/96/01/455829601.db2.gz PHJARDOJFWBHDH-UYAOXDASSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CC[C@H]21 ZINC000252802546 455829606 /nfs/dbraw/zinc/82/96/06/455829606.db2.gz PHJARDOJFWBHDH-UYAOXDASSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CC[C@H]21 ZINC000252802546 455829610 /nfs/dbraw/zinc/82/96/10/455829610.db2.gz PHJARDOJFWBHDH-UYAOXDASSA-N 2 1 327.472 3.285 20 30 EGEDMP C[N@H+]1CCC[C@H]1CCN1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285532628 455865066 /nfs/dbraw/zinc/86/50/66/455865066.db2.gz PWCFMVOIRYPAST-INIZCTEOSA-N 2 1 331.435 3.025 20 30 EGEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285532628 455865067 /nfs/dbraw/zinc/86/50/67/455865067.db2.gz PWCFMVOIRYPAST-INIZCTEOSA-N 2 1 331.435 3.025 20 30 EGEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000285532628 455865069 /nfs/dbraw/zinc/86/50/69/455865069.db2.gz PWCFMVOIRYPAST-INIZCTEOSA-N 2 1 331.435 3.025 20 30 EGEDMP C=CCOc1cccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000195250623 455936858 /nfs/dbraw/zinc/93/68/58/455936858.db2.gz YKLCNQNZPSGTGF-HDICACEKSA-N 2 1 332.488 3.230 20 30 EGEDMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)CC1 ZINC000275713819 456294872 /nfs/dbraw/zinc/29/48/72/456294872.db2.gz RWMVMEYHFOGUQN-SFHVURJKSA-N 2 1 340.515 3.110 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290399754 456315814 /nfs/dbraw/zinc/31/58/14/456315814.db2.gz JHDCTWAZMQJOJW-ZWKOTPCHSA-N 2 1 330.472 3.176 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000290399754 456315820 /nfs/dbraw/zinc/31/58/20/456315820.db2.gz JHDCTWAZMQJOJW-ZWKOTPCHSA-N 2 1 330.472 3.176 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](c1nccn1C)C1CCOCC1 ZINC000329166519 456846922 /nfs/dbraw/zinc/84/69/22/456846922.db2.gz HUBGNGZJDSPNEN-QAPCUYQASA-N 2 1 348.491 3.109 20 30 EGEDMP COCC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000360837686 457375767 /nfs/dbraw/zinc/37/57/67/457375767.db2.gz QRVRREYVWKNUBH-HXUWFJFHSA-N 2 1 327.472 3.026 20 30 EGEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000360838367 457377938 /nfs/dbraw/zinc/37/79/38/457377938.db2.gz CCZJYFPXPNMPJG-CTNGQTDRSA-N 2 1 341.499 3.152 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000368966869 458067358 /nfs/dbraw/zinc/06/73/58/458067358.db2.gz SGIFNKCIYAHJGE-UHFFFAOYSA-N 2 1 326.488 3.097 20 30 EGEDMP C=CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000414742894 458325229 /nfs/dbraw/zinc/32/52/29/458325229.db2.gz MQMPAGURRFOAOC-SXLOBPIMSA-N 2 1 344.499 3.037 20 30 EGEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000414742894 458325234 /nfs/dbraw/zinc/32/52/34/458325234.db2.gz MQMPAGURRFOAOC-SXLOBPIMSA-N 2 1 344.499 3.037 20 30 EGEDMP C=CCCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512668207 458787018 /nfs/dbraw/zinc/78/70/18/458787018.db2.gz TYYWOWVHPQBBTL-NJDAHSKKSA-N 2 1 328.500 3.469 20 30 EGEDMP C[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602478189 459958717 /nfs/dbraw/zinc/95/87/17/459958717.db2.gz ZXJZEEKEGJTNIO-UTKZUKDTSA-N 2 1 334.467 3.438 20 30 EGEDMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1)CC1CC1 ZINC000598601990 459961244 /nfs/dbraw/zinc/96/12/44/459961244.db2.gz YNHVAXGAYFZXNC-LJQANCHMSA-N 2 1 335.536 3.121 20 30 EGEDMP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000602525859 459983680 /nfs/dbraw/zinc/98/36/80/459983680.db2.gz SVJBVBTZFZAPCV-HNNXBMFYSA-N 2 1 326.469 3.017 20 30 EGEDMP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000602525859 459983685 /nfs/dbraw/zinc/98/36/85/459983685.db2.gz SVJBVBTZFZAPCV-HNNXBMFYSA-N 2 1 326.469 3.017 20 30 EGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000187664633 534084925 /nfs/dbraw/zinc/08/49/25/534084925.db2.gz DNVAGEARSJKLMP-OTWHNJEPSA-N 2 1 340.515 3.110 20 30 EGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000187664633 534084933 /nfs/dbraw/zinc/08/49/33/534084933.db2.gz DNVAGEARSJKLMP-OTWHNJEPSA-N 2 1 340.515 3.110 20 30 EGEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])Nc1cccc(OC)c1)C(C)C ZINC000104171412 1293018295 /nfs/dbraw/zinc/01/82/95/1293018295.db2.gz SWQIRRXFCHYGMW-GOSISDBHSA-N 2 1 330.476 3.120 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000834773709 1293145818 /nfs/dbraw/zinc/14/58/18/1293145818.db2.gz JCPCPHUWWAPVBP-BHDDXSALSA-N 2 1 346.478 3.486 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000834773709 1293145821 /nfs/dbraw/zinc/14/58/21/1293145821.db2.gz JCPCPHUWWAPVBP-BHDDXSALSA-N 2 1 346.478 3.486 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(O)c(OC)c1 ZINC000164398588 1294347186 /nfs/dbraw/zinc/34/71/86/1294347186.db2.gz JEYHPMIUEUGXHP-KRWDZBQOSA-N 2 1 330.472 3.047 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)cc1Cl ZINC000262774221 1296648519 /nfs/dbraw/zinc/64/85/19/1296648519.db2.gz LOBULQLWALWZPS-AWEZNQCLSA-N 2 1 336.867 3.092 20 30 EGEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303723932 1296846288 /nfs/dbraw/zinc/84/62/88/1296846288.db2.gz ZJMVVDGEZDUPPJ-YPMHNXCESA-N 2 1 343.302 3.443 20 30 EGEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000303897765 1296874288 /nfs/dbraw/zinc/87/42/88/1296874288.db2.gz VCIQLQWLPWXCTO-INIZCTEOSA-N 2 1 348.494 3.349 20 30 EGEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+]1CCc2ccccc2C1 ZINC000303897765 1296874312 /nfs/dbraw/zinc/87/43/12/1296874312.db2.gz VCIQLQWLPWXCTO-INIZCTEOSA-N 2 1 348.494 3.349 20 30 EGEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000304678039 1296935484 /nfs/dbraw/zinc/93/54/84/1296935484.db2.gz NYOMDAWGWBZUJL-INIZCTEOSA-N 2 1 328.504 3.412 20 30 EGEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+](C)Cc1ccccc1 ZINC000304753857 1296941376 /nfs/dbraw/zinc/94/13/76/1296941376.db2.gz LLBPVCCRAVYQIS-MRXNPFEDSA-N 2 1 336.483 3.422 20 30 EGEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+](C)Cc1ccccc1 ZINC000304753857 1296941385 /nfs/dbraw/zinc/94/13/85/1296941385.db2.gz LLBPVCCRAVYQIS-MRXNPFEDSA-N 2 1 336.483 3.422 20 30 EGEDMP N#CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749516432 1299229137 /nfs/dbraw/zinc/22/91/37/1299229137.db2.gz VSAITLJODLWPAV-YLJYHZDGSA-N 2 1 325.456 3.038 20 30 EGEDMP N#CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749516432 1299229148 /nfs/dbraw/zinc/22/91/48/1299229148.db2.gz VSAITLJODLWPAV-YLJYHZDGSA-N 2 1 325.456 3.038 20 30 EGEDMP N#CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749516432 1299229155 /nfs/dbraw/zinc/22/91/55/1299229155.db2.gz VSAITLJODLWPAV-YLJYHZDGSA-N 2 1 325.456 3.038 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])ccc1OC ZINC000817917382 1319460137 /nfs/dbraw/zinc/46/01/37/1319460137.db2.gz FJKMUGQWGMUIRP-IKGGRYGDSA-N 2 1 331.460 3.126 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552290 1319662289 /nfs/dbraw/zinc/66/22/89/1319662289.db2.gz CQMWANNKNXRJSU-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552290 1319662297 /nfs/dbraw/zinc/66/22/97/1319662297.db2.gz CQMWANNKNXRJSU-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552290 1319662303 /nfs/dbraw/zinc/66/23/03/1319662303.db2.gz CQMWANNKNXRJSU-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000822660197 1320109628 /nfs/dbraw/zinc/10/96/28/1320109628.db2.gz YLXQBKYYNYYMBW-MRXNPFEDSA-N 2 1 325.416 3.026 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246363 1324045747 /nfs/dbraw/zinc/04/57/47/1324045747.db2.gz CXDXMHJAMXEPSE-RTBURBONSA-N 2 1 345.531 3.036 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025302732 1324136060 /nfs/dbraw/zinc/13/60/60/1324136060.db2.gz WZOGIJVATWTEHC-VQTJNVASSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631327 1324483350 /nfs/dbraw/zinc/48/33/50/1324483350.db2.gz ZLKAWWQIFPKPHQ-IAGOWNOFSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027693095 1328098237 /nfs/dbraw/zinc/09/82/37/1328098237.db2.gz RMTZQQACLGYHML-QGZVFWFLSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027693095 1328098245 /nfs/dbraw/zinc/09/82/45/1328098245.db2.gz RMTZQQACLGYHML-QGZVFWFLSA-N 2 1 349.906 3.037 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726337 1333648606 /nfs/dbraw/zinc/64/86/06/1333648606.db2.gz OKVARIJACUZTCN-GOSISDBHSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968882497 1336078795 /nfs/dbraw/zinc/07/87/95/1336078795.db2.gz PBYJVZMLDWJPPA-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882497 1336078798 /nfs/dbraw/zinc/07/87/98/1336078798.db2.gz PBYJVZMLDWJPPA-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968882497 1336078799 /nfs/dbraw/zinc/07/87/99/1336078799.db2.gz PBYJVZMLDWJPPA-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000969002616 1336115564 /nfs/dbraw/zinc/11/55/64/1336115564.db2.gz YQNPITSHMAOLAJ-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002616 1336115566 /nfs/dbraw/zinc/11/55/66/1336115566.db2.gz YQNPITSHMAOLAJ-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002616 1336115568 /nfs/dbraw/zinc/11/55/68/1336115568.db2.gz YQNPITSHMAOLAJ-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001006138111 1336457639 /nfs/dbraw/zinc/45/76/39/1336457639.db2.gz CRXCXAQSEAOEFY-UHFFFAOYSA-N 2 1 349.906 3.037 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001206802203 1371172635 /nfs/dbraw/zinc/17/26/35/1371172635.db2.gz ZOHVHJJGQGPFHV-UHFFFAOYSA-N 2 1 325.541 3.127 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033835609 1342034524 /nfs/dbraw/zinc/03/45/24/1342034524.db2.gz KCRFXQMMZPMIOZ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033835609 1342034526 /nfs/dbraw/zinc/03/45/26/1342034526.db2.gz KCRFXQMMZPMIOZ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033835609 1342034531 /nfs/dbraw/zinc/03/45/31/1342034531.db2.gz KCRFXQMMZPMIOZ-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034050082 1342191052 /nfs/dbraw/zinc/19/10/52/1342191052.db2.gz FKWSMHYBKAMEED-KRWDZBQOSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034480288 1342537526 /nfs/dbraw/zinc/53/75/26/1342537526.db2.gz HHVNOQIOGVVIHE-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034480288 1342537530 /nfs/dbraw/zinc/53/75/30/1342537530.db2.gz HHVNOQIOGVVIHE-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034480288 1342537533 /nfs/dbraw/zinc/53/75/33/1342537533.db2.gz HHVNOQIOGVVIHE-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034480285 1342537726 /nfs/dbraw/zinc/53/77/26/1342537726.db2.gz HHVNOQIOGVVIHE-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034480285 1342537728 /nfs/dbraw/zinc/53/77/28/1342537728.db2.gz HHVNOQIOGVVIHE-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001034480285 1342537729 /nfs/dbraw/zinc/53/77/29/1342537729.db2.gz HHVNOQIOGVVIHE-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125202 1345950471 /nfs/dbraw/zinc/95/04/71/1345950471.db2.gz PLVASJILLSJPDG-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125202 1345950472 /nfs/dbraw/zinc/95/04/72/1345950472.db2.gz PLVASJILLSJPDG-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125202 1345950473 /nfs/dbraw/zinc/95/04/73/1345950473.db2.gz PLVASJILLSJPDG-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943854 1346779593 /nfs/dbraw/zinc/77/95/93/1346779593.db2.gz PZXULRYQQVNCIB-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943854 1346779594 /nfs/dbraw/zinc/77/95/94/1346779594.db2.gz PZXULRYQQVNCIB-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943854 1346779597 /nfs/dbraw/zinc/77/95/97/1346779597.db2.gz PZXULRYQQVNCIB-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786064 1348021190 /nfs/dbraw/zinc/02/11/90/1348021190.db2.gz ACDKEONXXJMBFQ-PMACEKPBSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001049834538 1348047719 /nfs/dbraw/zinc/04/77/19/1348047719.db2.gz BNQHLRZOWRCCDR-XUVXKRRUSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049834538 1348047720 /nfs/dbraw/zinc/04/77/20/1348047720.db2.gz BNQHLRZOWRCCDR-XUVXKRRUSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001049834538 1348047721 /nfs/dbraw/zinc/04/77/21/1348047721.db2.gz BNQHLRZOWRCCDR-XUVXKRRUSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049914117 1348108793 /nfs/dbraw/zinc/10/87/93/1348108793.db2.gz MTXXHSXSPDQKFG-ZCNNSNEGSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052837364 1348695654 /nfs/dbraw/zinc/69/56/54/1348695654.db2.gz PXBDKOQTCWMSQI-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC)CC1 ZINC001052990649 1348790730 /nfs/dbraw/zinc/79/07/30/1348790730.db2.gz JNIDSXDVBPSKDJ-SVFBPWRDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC)CC1 ZINC001052990649 1348790732 /nfs/dbraw/zinc/79/07/32/1348790732.db2.gz JNIDSXDVBPSKDJ-SVFBPWRDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2C1 ZINC001054274052 1349273829 /nfs/dbraw/zinc/27/38/29/1349273829.db2.gz PAIFGSXOTDSFMW-UHFFFAOYSA-N 2 1 346.434 3.156 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071629220 1354812800 /nfs/dbraw/zinc/81/28/00/1354812800.db2.gz XFGAHUWKTVTCGS-WBVHZDCISA-N 2 1 340.471 3.192 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071958179 1355043007 /nfs/dbraw/zinc/04/30/07/1355043007.db2.gz VCEXVHBCXLOEOF-HKUYNNGSSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001183228874 1387282809 /nfs/dbraw/zinc/28/28/09/1387282809.db2.gz ZCHXCVHOAVJBFV-UYAOXDASSA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001183254197 1387285894 /nfs/dbraw/zinc/28/58/94/1387285894.db2.gz AEJDIISXCYAMBB-MOPGFXCFSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258013 1363718704 /nfs/dbraw/zinc/71/87/04/1363718704.db2.gz NFYKLRHDPZQMET-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258013 1363718707 /nfs/dbraw/zinc/71/87/07/1363718707.db2.gz NFYKLRHDPZQMET-KRWDZBQOSA-N 2 1 346.519 3.189 20 30 EGEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](CCC)CCC ZINC001099304082 1363739876 /nfs/dbraw/zinc/73/98/76/1363739876.db2.gz MBNWNNWILILFCF-IBGZPJMESA-N 2 1 349.563 3.129 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072625 1358383517 /nfs/dbraw/zinc/38/35/17/1358383517.db2.gz LNHLEGSJIUIAJM-AABGKKOBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072625 1358383519 /nfs/dbraw/zinc/38/35/19/1358383519.db2.gz LNHLEGSJIUIAJM-AABGKKOBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072625 1358383521 /nfs/dbraw/zinc/38/35/21/1358383521.db2.gz LNHLEGSJIUIAJM-AABGKKOBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921627 1359248427 /nfs/dbraw/zinc/24/84/27/1359248427.db2.gz VJNPHGUMACUBFZ-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970647 1360119360 /nfs/dbraw/zinc/11/93/60/1360119360.db2.gz JNVQSJNBXRYBNR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970647 1360119364 /nfs/dbraw/zinc/11/93/64/1360119364.db2.gz JNVQSJNBXRYBNR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970647 1360119366 /nfs/dbraw/zinc/11/93/66/1360119366.db2.gz JNVQSJNBXRYBNR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398948 1360398552 /nfs/dbraw/zinc/39/85/52/1360398552.db2.gz QCENEFJZWJFABM-MRXNPFEDSA-N 2 1 349.544 3.216 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472333 1360455798 /nfs/dbraw/zinc/45/57/98/1360455798.db2.gz GOWXOLUSWWUUHN-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472333 1360455800 /nfs/dbraw/zinc/45/58/00/1360455800.db2.gz GOWXOLUSWWUUHN-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472333 1360455803 /nfs/dbraw/zinc/45/58/03/1360455803.db2.gz GOWXOLUSWWUUHN-MOPGFXCFSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089733909 1360638434 /nfs/dbraw/zinc/63/84/34/1360638434.db2.gz CTFIWCNQQUXOPJ-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089733909 1360638435 /nfs/dbraw/zinc/63/84/35/1360638435.db2.gz CTFIWCNQQUXOPJ-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089733909 1360638439 /nfs/dbraw/zinc/63/84/39/1360638439.db2.gz CTFIWCNQQUXOPJ-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497515 1361830266 /nfs/dbraw/zinc/83/02/66/1361830266.db2.gz BOXTWMINQIQPCI-CTAFRAEOSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497515 1361830269 /nfs/dbraw/zinc/83/02/69/1361830269.db2.gz BOXTWMINQIQPCI-CTAFRAEOSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094497515 1361830272 /nfs/dbraw/zinc/83/02/72/1361830272.db2.gz BOXTWMINQIQPCI-CTAFRAEOSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184808957 1387543585 /nfs/dbraw/zinc/54/35/85/1387543585.db2.gz CASBLVMOLMSAFD-PKOBYXMFSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095533888 1362163815 /nfs/dbraw/zinc/16/38/15/1362163815.db2.gz RSRYNVWUNYVJQK-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095533888 1362163817 /nfs/dbraw/zinc/16/38/17/1362163817.db2.gz RSRYNVWUNYVJQK-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095533888 1362163819 /nfs/dbraw/zinc/16/38/19/1362163819.db2.gz RSRYNVWUNYVJQK-FYQPLNBISA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168067 1387631525 /nfs/dbraw/zinc/63/15/25/1387631525.db2.gz GAAQDDDTUOXBIV-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168068 1387631644 /nfs/dbraw/zinc/63/16/44/1387631644.db2.gz GAAQDDDTUOXBIV-ROUUACIJSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001099194888 1363686320 /nfs/dbraw/zinc/68/63/20/1363686320.db2.gz UNNITTCFRXHLPF-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001099194888 1363686322 /nfs/dbraw/zinc/68/63/22/1363686322.db2.gz UNNITTCFRXHLPF-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001099194888 1363686326 /nfs/dbraw/zinc/68/63/26/1363686326.db2.gz UNNITTCFRXHLPF-GBESFXJTSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001099348669 1363764609 /nfs/dbraw/zinc/76/46/09/1363764609.db2.gz JXKHQOBMTLYARQ-OALUTQOASA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001100383130 1364097455 /nfs/dbraw/zinc/09/74/55/1364097455.db2.gz MXLACIXNFUTLHL-ACBHZAAOSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100407601 1364104762 /nfs/dbraw/zinc/10/47/62/1364104762.db2.gz BTMYEJLQRCCDEU-DAWZGUTISA-N 2 1 346.519 3.215 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001101590534 1364641252 /nfs/dbraw/zinc/64/12/52/1364641252.db2.gz XMBHYRVTURSRTD-GOSISDBHSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051753 1364823489 /nfs/dbraw/zinc/82/34/89/1364823489.db2.gz KSRBXCUJAOERGA-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051753 1364823493 /nfs/dbraw/zinc/82/34/93/1364823493.db2.gz KSRBXCUJAOERGA-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051753 1364823498 /nfs/dbraw/zinc/82/34/98/1364823498.db2.gz KSRBXCUJAOERGA-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472184 1365074139 /nfs/dbraw/zinc/07/41/39/1365074139.db2.gz MYZXIUOVWNARHI-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472184 1365074141 /nfs/dbraw/zinc/07/41/41/1365074141.db2.gz MYZXIUOVWNARHI-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472184 1365074145 /nfs/dbraw/zinc/07/41/45/1365074145.db2.gz MYZXIUOVWNARHI-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102493797 1365086105 /nfs/dbraw/zinc/08/61/05/1365086105.db2.gz IPSVDMKGOARUCG-WSTZPKSXSA-N 2 1 349.563 3.146 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676421 1366127376 /nfs/dbraw/zinc/12/73/76/1366127376.db2.gz JEOLAEJZEAFWSU-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001106905605 1366829180 /nfs/dbraw/zinc/82/91/80/1366829180.db2.gz YJPUILWOTKGQPP-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107543953 1367034948 /nfs/dbraw/zinc/03/49/48/1367034948.db2.gz FQUUOPNOXIJQSE-SFHLNBCPSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107551091 1367038788 /nfs/dbraw/zinc/03/87/88/1367038788.db2.gz WXGJQCQBOAWGER-WIYYLYMNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107551091 1367038793 /nfs/dbraw/zinc/03/87/93/1367038793.db2.gz WXGJQCQBOAWGER-WIYYLYMNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107551091 1367038799 /nfs/dbraw/zinc/03/87/99/1367038799.db2.gz WXGJQCQBOAWGER-WIYYLYMNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107652249 1367095243 /nfs/dbraw/zinc/09/52/43/1367095243.db2.gz KDQMCPCVHMXHDW-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704695 1367543935 /nfs/dbraw/zinc/54/39/35/1367543935.db2.gz QIAUOFXEGHJNIW-BJLQDIEVSA-N 2 1 349.563 3.410 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192847950 1367887606 /nfs/dbraw/zinc/88/76/06/1367887606.db2.gz UUPIDWOQLQZMNM-FXAWDEMLSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001110809090 1368003810 /nfs/dbraw/zinc/00/38/10/1368003810.db2.gz VBQSSXLIJPGYCC-OPNNQBFTSA-N 2 1 338.455 3.024 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099615 1368157799 /nfs/dbraw/zinc/15/77/99/1368157799.db2.gz OSLJZXGLXXERQV-AQNXPRMDSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194420588 1368257717 /nfs/dbraw/zinc/25/77/17/1368257717.db2.gz SYYGXJPMMLMERY-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415358 1368303198 /nfs/dbraw/zinc/30/31/98/1368303198.db2.gz QTCUFGBOGSZNQI-WTGUMLROSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001111451361 1368310573 /nfs/dbraw/zinc/31/05/73/1368310573.db2.gz ZKHQYUJAPAHVFR-AQNXPRMDSA-N 2 1 341.499 3.050 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001111753378 1368443616 /nfs/dbraw/zinc/44/36/16/1368443616.db2.gz ZPZFGEDHNSFWSA-HDAAZOAOSA-N 2 1 349.563 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001111753378 1368443619 /nfs/dbraw/zinc/44/36/19/1368443619.db2.gz ZPZFGEDHNSFWSA-HDAAZOAOSA-N 2 1 349.563 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001111753378 1368443622 /nfs/dbraw/zinc/44/36/22/1368443622.db2.gz ZPZFGEDHNSFWSA-HDAAZOAOSA-N 2 1 349.563 3.268 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111926056 1368563734 /nfs/dbraw/zinc/56/37/34/1368563734.db2.gz VPZHXSKKZYPJET-ICSRJNTNSA-N 2 1 337.552 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111926056 1368563737 /nfs/dbraw/zinc/56/37/37/1368563737.db2.gz VPZHXSKKZYPJET-ICSRJNTNSA-N 2 1 337.552 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@@H+](C)CC)C1 ZINC001111926056 1368563741 /nfs/dbraw/zinc/56/37/41/1368563741.db2.gz VPZHXSKKZYPJET-ICSRJNTNSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197810644 1368904053 /nfs/dbraw/zinc/90/40/53/1368904053.db2.gz ZETNTGVSLZVLPN-FQEVSTJZSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197810644 1368904054 /nfs/dbraw/zinc/90/40/54/1368904054.db2.gz ZETNTGVSLZVLPN-FQEVSTJZSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810644 1368904057 /nfs/dbraw/zinc/90/40/57/1368904057.db2.gz ZETNTGVSLZVLPN-FQEVSTJZSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810644 1368904060 /nfs/dbraw/zinc/90/40/60/1368904060.db2.gz ZETNTGVSLZVLPN-FQEVSTJZSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186605544 1387983900 /nfs/dbraw/zinc/98/39/00/1387983900.db2.gz PGKSYMZVPSIGPU-IBGZPJMESA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044485 1369470675 /nfs/dbraw/zinc/47/06/75/1369470675.db2.gz XOBVLIQYQBQYGH-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201818054 1369627974 /nfs/dbraw/zinc/62/79/74/1369627974.db2.gz HXHICDIKQJSLMU-UHFFFAOYSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203105356 1369985005 /nfs/dbraw/zinc/98/50/05/1369985005.db2.gz XHDHEBYLLQNJTJ-ROUUACIJSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001114921603 1370150856 /nfs/dbraw/zinc/15/08/56/1370150856.db2.gz PWTQUEJUJDWBCA-VNTMZGSJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001203902603 1370307870 /nfs/dbraw/zinc/30/78/70/1370307870.db2.gz GZLVVKLLPVYASW-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563414 1370562818 /nfs/dbraw/zinc/56/28/18/1370562818.db2.gz UDHLHEBFBRIBMV-GOSISDBHSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001115571930 1370574467 /nfs/dbraw/zinc/57/44/67/1370574467.db2.gz VOHPGSGPUPZDNA-IBGZPJMESA-N 2 1 349.563 3.339 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205242807 1370693366 /nfs/dbraw/zinc/69/33/66/1370693366.db2.gz VQKCSKIXDJKTHK-PKOBYXMFSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206487345 1371070400 /nfs/dbraw/zinc/07/04/00/1371070400.db2.gz CPYZYRQVVZLIRO-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857040 1371191350 /nfs/dbraw/zinc/19/13/50/1371191350.db2.gz GPRRSEZQEWLPME-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869112 1371197604 /nfs/dbraw/zinc/19/76/04/1371197604.db2.gz SLFLVNAOLDTICC-FQEVSTJZSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988795 1371560753 /nfs/dbraw/zinc/56/07/53/1371560753.db2.gz WCZRQMJOAFACHJ-VQIMIIECSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001208459865 1371775428 /nfs/dbraw/zinc/77/54/28/1371775428.db2.gz LGBOGVNODLVTFW-KRWDZBQOSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001121463829 1371982923 /nfs/dbraw/zinc/98/29/23/1371982923.db2.gz YZICWSLGKBZFEE-UHFFFAOYSA-N 2 1 347.547 3.234 20 30 EGEDMP C#CCCC[NH+]1CCC2(CC[N@H+](Cc3cccc(OC)c3)C2)CC1 ZINC001209267393 1372055118 /nfs/dbraw/zinc/05/51/18/1372055118.db2.gz PGYFRWUBBOSHPE-UHFFFAOYSA-N 2 1 326.484 3.397 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001210183037 1372290005 /nfs/dbraw/zinc/29/00/05/1372290005.db2.gz KFJUSJHMJRVHJU-RBUKOAKNSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210244622 1372303913 /nfs/dbraw/zinc/30/39/13/1372303913.db2.gz WLYQRDAWNOIQMF-MISYRCLQSA-N 2 1 343.515 3.082 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210244622 1372303916 /nfs/dbraw/zinc/30/39/16/1372303916.db2.gz WLYQRDAWNOIQMF-MISYRCLQSA-N 2 1 343.515 3.082 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210244622 1372303923 /nfs/dbraw/zinc/30/39/23/1372303923.db2.gz WLYQRDAWNOIQMF-MISYRCLQSA-N 2 1 343.515 3.082 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210244622 1372303926 /nfs/dbraw/zinc/30/39/26/1372303926.db2.gz WLYQRDAWNOIQMF-MISYRCLQSA-N 2 1 343.515 3.082 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1C ZINC001216511010 1373313266 /nfs/dbraw/zinc/31/32/66/1373313266.db2.gz ILLLJGBLQZKPDM-QZTJIDSGSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223116509 1375032380 /nfs/dbraw/zinc/03/23/80/1375032380.db2.gz YODGSQVFTGPIQP-MOPGFXCFSA-N 2 1 346.519 3.085 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001223116509 1375032386 /nfs/dbraw/zinc/03/23/86/1375032386.db2.gz YODGSQVFTGPIQP-MOPGFXCFSA-N 2 1 346.519 3.085 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001226334715 1375241914 /nfs/dbraw/zinc/24/19/14/1375241914.db2.gz YYLXEYUUAJTVKX-KZNAEPCWSA-N 2 1 346.519 3.380 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001132513252 1375434155 /nfs/dbraw/zinc/43/41/55/1375434155.db2.gz QNFBNDQQVZOZJB-MJGOQNOKSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001228623962 1375619824 /nfs/dbraw/zinc/61/98/24/1375619824.db2.gz OTQPAQMUKQWFFA-RCCFBDPRSA-N 2 1 337.552 3.336 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001133185851 1375829696 /nfs/dbraw/zinc/82/96/96/1375829696.db2.gz JZNHTQSBPWBXFD-MOPGFXCFSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001229463074 1375840275 /nfs/dbraw/zinc/84/02/75/1375840275.db2.gz XSLXWWGFHHZPBN-PKOBYXMFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001133224431 1375853126 /nfs/dbraw/zinc/85/31/26/1375853126.db2.gz BUILYDZVUZLPJT-OALUTQOASA-N 2 1 337.552 3.149 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001230141674 1375950903 /nfs/dbraw/zinc/95/09/03/1375950903.db2.gz FBASORBBYIVMJR-FQEVSTJZSA-N 2 1 335.536 3.023 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230591925 1376089669 /nfs/dbraw/zinc/08/96/69/1376089669.db2.gz MQQJWXBJUFWKST-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3ccnc3)C2)C1 ZINC001148357396 1379156061 /nfs/dbraw/zinc/15/60/61/1379156061.db2.gz MHUVMYODQCCTHR-GOSISDBHSA-N 2 1 344.503 3.115 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001153727912 1380119294 /nfs/dbraw/zinc/11/92/94/1380119294.db2.gz HSLOAIBDPAYVPT-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153727912 1380119297 /nfs/dbraw/zinc/11/92/97/1380119297.db2.gz HSLOAIBDPAYVPT-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001153727912 1380119300 /nfs/dbraw/zinc/11/93/00/1380119300.db2.gz HSLOAIBDPAYVPT-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153823999 1380137238 /nfs/dbraw/zinc/13/72/38/1380137238.db2.gz HEBBVTCXCLECDS-AEFFLSMTSA-N 2 1 325.541 3.124 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930164 1380157204 /nfs/dbraw/zinc/15/72/04/1380157204.db2.gz IDWCKGODHFPWLB-MSOLQXFVSA-N 2 1 325.541 3.146 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001157973912 1381089900 /nfs/dbraw/zinc/08/99/00/1381089900.db2.gz XYTQKNBBMGDPNB-ZWKOTPCHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001157973912 1381089907 /nfs/dbraw/zinc/08/99/07/1381089907.db2.gz XYTQKNBBMGDPNB-ZWKOTPCHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158385680 1381227345 /nfs/dbraw/zinc/22/73/45/1381227345.db2.gz LIIKBRBURJSHEP-FUMNGEBKSA-N 2 1 349.563 3.384 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001158385680 1381227350 /nfs/dbraw/zinc/22/73/50/1381227350.db2.gz LIIKBRBURJSHEP-FUMNGEBKSA-N 2 1 349.563 3.384 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158385680 1381227356 /nfs/dbraw/zinc/22/73/56/1381227356.db2.gz LIIKBRBURJSHEP-FUMNGEBKSA-N 2 1 349.563 3.384 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001158397212 1381230345 /nfs/dbraw/zinc/23/03/45/1381230345.db2.gz JXMJBKZIWHWPQN-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158397212 1381230350 /nfs/dbraw/zinc/23/03/50/1381230350.db2.gz JXMJBKZIWHWPQN-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001158397212 1381230352 /nfs/dbraw/zinc/23/03/52/1381230352.db2.gz JXMJBKZIWHWPQN-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](CCC)CCC ZINC001158739766 1381376402 /nfs/dbraw/zinc/37/64/02/1381376402.db2.gz RPPDQUULQJWFPM-HXUWFJFHSA-N 2 1 349.563 3.225 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175437 1382024729 /nfs/dbraw/zinc/02/47/29/1382024729.db2.gz RKNWYPSLDZAHIS-UYAOXDASSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175437 1382024732 /nfs/dbraw/zinc/02/47/32/1382024732.db2.gz RKNWYPSLDZAHIS-UYAOXDASSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175437 1382024739 /nfs/dbraw/zinc/02/47/39/1382024739.db2.gz RKNWYPSLDZAHIS-UYAOXDASSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160360750 1382083640 /nfs/dbraw/zinc/08/36/40/1382083640.db2.gz WMRNHGXVQNRRGT-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360750 1382083643 /nfs/dbraw/zinc/08/36/43/1382083643.db2.gz WMRNHGXVQNRRGT-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160360750 1382083646 /nfs/dbraw/zinc/08/36/46/1382083646.db2.gz WMRNHGXVQNRRGT-FQEVSTJZSA-N 2 1 347.547 3.354 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160367684 1382084479 /nfs/dbraw/zinc/08/44/79/1382084479.db2.gz SKIWZRVIRAYHSA-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160479455 1382119139 /nfs/dbraw/zinc/11/91/39/1382119139.db2.gz WTCQTWGUXPRIJZ-LJQANCHMSA-N 2 1 335.536 3.211 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207005 1382342095 /nfs/dbraw/zinc/34/20/95/1382342095.db2.gz OONQUWUWRUXXOV-UYAOXDASSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207005 1382342098 /nfs/dbraw/zinc/34/20/98/1382342098.db2.gz OONQUWUWRUXXOV-UYAOXDASSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161207005 1382342101 /nfs/dbraw/zinc/34/21/01/1382342101.db2.gz OONQUWUWRUXXOV-UYAOXDASSA-N 2 1 349.563 3.293 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161650264 1382470375 /nfs/dbraw/zinc/47/03/75/1382470375.db2.gz DDAPZTIBZJWOLL-UHFFFAOYSA-N 2 1 337.552 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161650264 1382470378 /nfs/dbraw/zinc/47/03/78/1382470378.db2.gz DDAPZTIBZJWOLL-UHFFFAOYSA-N 2 1 337.552 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001161650264 1382470382 /nfs/dbraw/zinc/47/03/82/1382470382.db2.gz DDAPZTIBZJWOLL-UHFFFAOYSA-N 2 1 337.552 3.437 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001161953279 1382569040 /nfs/dbraw/zinc/56/90/40/1382569040.db2.gz RRXCBACSDNFJMQ-FQEVSTJZSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164492239 1383193109 /nfs/dbraw/zinc/19/31/09/1383193109.db2.gz YOXYIMDMLQPZTR-HKUYNNGSSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802815 1383479679 /nfs/dbraw/zinc/47/96/79/1383479679.db2.gz KWYYGAYCRNOHAT-LJQANCHMSA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001167900907 1383768102 /nfs/dbraw/zinc/76/81/02/1383768102.db2.gz NNDPKZDMJNRSAD-NRFANRHFSA-N 2 1 347.547 3.095 20 30 EGEDMP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168103095 1383817625 /nfs/dbraw/zinc/81/76/25/1383817625.db2.gz RPAXAPPOWVMJDZ-XLNTUCKNSA-N 2 1 327.472 3.198 20 30 EGEDMP COCCC[NH+]1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001172254885 1384756625 /nfs/dbraw/zinc/75/66/25/1384756625.db2.gz ZEMHHRVDOCYXJM-UHFFFAOYSA-N 2 1 340.511 3.251 20 30 EGEDMP CC1(C)C[C@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172283460 1384759397 /nfs/dbraw/zinc/75/93/97/1384759397.db2.gz YDIBISZXKIPSSR-FHWLQOOXSA-N 2 1 327.472 3.198 20 30 EGEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001172294305 1384761575 /nfs/dbraw/zinc/76/15/75/1384761575.db2.gz HQSJVONSOPWIJB-SFHVURJKSA-N 2 1 349.478 3.111 20 30 EGEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172304163 1384764644 /nfs/dbraw/zinc/76/46/44/1384764644.db2.gz IJHGJWGGSWBUPO-NSISKUIASA-N 2 1 341.499 3.240 20 30 EGEDMP CC(C)(C)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C1CCC(C)(C#N)CC1 ZINC001173595665 1384983617 /nfs/dbraw/zinc/98/36/17/1384983617.db2.gz RVTXXAYMBVPZQB-HFCFLWKCSA-N 2 1 333.520 3.470 20 30 EGEDMP Cc1cc(N(C2CC[NH2+]CC2)C2CCC(C)(C#N)CC2)nc(C)[nH+]1 ZINC001173596722 1384984444 /nfs/dbraw/zinc/98/44/44/1384984444.db2.gz BSZRKSGNYKSQIF-UHFFFAOYSA-N 2 1 327.476 3.124 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001175297831 1385242727 /nfs/dbraw/zinc/24/27/27/1385242727.db2.gz XYDPSYDQGBTMDW-KRWDZBQOSA-N 2 1 325.541 3.195 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177267577 1385890757 /nfs/dbraw/zinc/89/07/57/1385890757.db2.gz SOTPOMKRSPWVKK-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177466731 1385966517 /nfs/dbraw/zinc/96/65/17/1385966517.db2.gz DGGIWSAWSVRQHP-FQEVSTJZSA-N 2 1 349.563 3.293 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177484877 1385974619 /nfs/dbraw/zinc/97/46/19/1385974619.db2.gz LPUFEAGHBQTYDL-UHFFFAOYSA-N 2 1 346.519 3.156 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001179134280 1386407082 /nfs/dbraw/zinc/40/70/82/1386407082.db2.gz KGYPQMZDGOFLDV-UHFFFAOYSA-N 2 1 337.552 3.483 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001179749110 1386570732 /nfs/dbraw/zinc/57/07/32/1386570732.db2.gz XWDFLUJNZROANO-QYZOEREBSA-N 2 1 337.552 3.432 20 30 EGEDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)c1 ZINC001336764264 1389161033 /nfs/dbraw/zinc/16/10/33/1389161033.db2.gz ZVXONODDBMQJPJ-NRFANRHFSA-N 2 1 337.467 3.222 20 30 EGEDMP CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001713064389 1417623143 /nfs/dbraw/zinc/62/31/43/1417623143.db2.gz JVYRELYQFAGPKG-RTBURBONSA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001713064389 1417623146 /nfs/dbraw/zinc/62/31/46/1417623146.db2.gz JVYRELYQFAGPKG-RTBURBONSA-N 2 1 337.552 3.412 20 30 EGEDMP CCCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001713064389 1417623149 /nfs/dbraw/zinc/62/31/49/1417623149.db2.gz JVYRELYQFAGPKG-RTBURBONSA-N 2 1 337.552 3.412 20 30 EGEDMP C=C(Cl)C[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001714911085 1419657561 /nfs/dbraw/zinc/65/75/61/1419657561.db2.gz DIBWIWSJQCNNJJ-QGZVFWFLSA-N 2 1 343.943 3.030 20 30 EGEDMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753549424 1440434828 /nfs/dbraw/zinc/43/48/28/1440434828.db2.gz WMABKBHDAQYZAR-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C#CC[N@H+](CCNC(=O)CCC[NH+]1CCCCC1)C1CCCCCC1 ZINC001754547902 1440628578 /nfs/dbraw/zinc/62/85/78/1440628578.db2.gz VVKBZQBEVPEBCN-UHFFFAOYSA-N 2 1 347.547 3.027 20 30 EGEDMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001754628460 1440647094 /nfs/dbraw/zinc/64/70/94/1440647094.db2.gz UUIRPNHGISIEOS-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001755275986 1440799026 /nfs/dbraw/zinc/79/90/26/1440799026.db2.gz NWWWTJNAOWQQGE-ACBHZAAOSA-N 2 1 335.536 3.185 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000274810017 267289976 /nfs/dbraw/zinc/28/99/76/267289976.db2.gz HOLDGLYGICWUBC-YHYVQYDKSA-N 2 1 349.478 3.092 20 30 EGEDMP N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597376 454721991 /nfs/dbraw/zinc/72/19/91/454721991.db2.gz QSXMCPKXKHQZGF-IBGZPJMESA-N 2 1 327.472 3.287 20 30 EGEDMP N#CCCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597376 454721996 /nfs/dbraw/zinc/72/19/96/454721996.db2.gz QSXMCPKXKHQZGF-IBGZPJMESA-N 2 1 327.472 3.287 20 30 EGEDMP CN(Cc1ccc(C#N)cc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000181119265 455290873 /nfs/dbraw/zinc/29/08/73/455290873.db2.gz SCXQFHHSLLLGMH-CQSZACIVSA-N 2 1 336.277 3.094 20 30 EGEDMP C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247038576 455549373 /nfs/dbraw/zinc/54/93/73/455549373.db2.gz RQSOWSJSXZDJJU-HSALFYBXSA-N 2 1 347.547 3.162 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000280588808 456007666 /nfs/dbraw/zinc/00/76/66/456007666.db2.gz NOQXBMZVKMYFRJ-QGZVFWFLSA-N 2 1 330.476 3.219 20 30 EGEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000336880098 456314249 /nfs/dbraw/zinc/31/42/49/456314249.db2.gz OXMZMEZPADPSDN-KDURUIRLSA-N 2 1 334.552 3.197 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc(OC)c1O ZINC000290637500 456391673 /nfs/dbraw/zinc/39/16/73/456391673.db2.gz YIGHCNVVXLZBIU-ZWKOTPCHSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(OC)c1O ZINC000290637500 456391678 /nfs/dbraw/zinc/39/16/78/456391678.db2.gz YIGHCNVVXLZBIU-ZWKOTPCHSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc(OC)c1O ZINC000290637500 456391682 /nfs/dbraw/zinc/39/16/82/456391682.db2.gz YIGHCNVVXLZBIU-ZWKOTPCHSA-N 2 1 330.472 3.045 20 30 EGEDMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000343415209 456604504 /nfs/dbraw/zinc/60/45/04/456604504.db2.gz VZACYIHHJHJALO-UHFFFAOYSA-N 2 1 346.434 3.432 20 30 EGEDMP Cc1ncc2n1CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000329453139 456893170 /nfs/dbraw/zinc/89/31/70/456893170.db2.gz DEGSVNINDGWZFI-PVAVHDDUSA-N 2 1 344.503 3.363 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)C2 ZINC000329453139 456893173 /nfs/dbraw/zinc/89/31/73/456893173.db2.gz DEGSVNINDGWZFI-PVAVHDDUSA-N 2 1 344.503 3.363 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)C2 ZINC000329453139 456893176 /nfs/dbraw/zinc/89/31/76/456893176.db2.gz DEGSVNINDGWZFI-PVAVHDDUSA-N 2 1 344.503 3.363 20 30 EGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000414275947 458317321 /nfs/dbraw/zinc/31/73/21/458317321.db2.gz XHPLOKXZWOXNCV-JSXRDJHFSA-N 2 1 341.499 3.195 20 30 EGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000414275947 458317326 /nfs/dbraw/zinc/31/73/26/458317326.db2.gz XHPLOKXZWOXNCV-JSXRDJHFSA-N 2 1 341.499 3.195 20 30 EGEDMP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC000559786950 459277050 /nfs/dbraw/zinc/27/70/50/459277050.db2.gz LFGVREKGCVLVTG-TZIWHRDSSA-N 2 1 335.451 3.362 20 30 EGEDMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC000559786950 459277053 /nfs/dbraw/zinc/27/70/53/459277053.db2.gz LFGVREKGCVLVTG-TZIWHRDSSA-N 2 1 335.451 3.362 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000592290779 459572393 /nfs/dbraw/zinc/57/23/93/459572393.db2.gz ALRWSSQXMSDRTM-UHFFFAOYSA-N 2 1 340.471 3.215 20 30 EGEDMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC(C)(C#N)CC2)c2cccs2)CC1 ZINC000573671931 459714524 /nfs/dbraw/zinc/71/45/24/459714524.db2.gz RWUPSYCXUPMBHC-HFCFLWKCSA-N 2 1 346.544 3.099 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000602503893 459972780 /nfs/dbraw/zinc/97/27/80/459972780.db2.gz OBBZXFRJHLIGGL-GOSISDBHSA-N 2 1 341.499 3.340 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602652129 460045492 /nfs/dbraw/zinc/04/54/92/460045492.db2.gz WIFXPKIVIMTXGW-ICSRJNTNSA-N 2 1 341.499 3.197 20 30 EGEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109500 460244464 /nfs/dbraw/zinc/24/44/64/460244464.db2.gz CKEHYADWDNFRRH-KRWDZBQOSA-N 2 1 342.487 3.083 20 30 EGEDMP C=CCOc1c(Cl)cc(CNC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000623411156 460534042 /nfs/dbraw/zinc/53/40/42/460534042.db2.gz VEROMWBUKQHDKU-CQSZACIVSA-N 2 1 338.879 3.345 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000623411156 460534050 /nfs/dbraw/zinc/53/40/50/460534050.db2.gz VEROMWBUKQHDKU-CQSZACIVSA-N 2 1 338.879 3.345 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N1CCC[C@@H](C)C1 ZINC000089131583 1292757463 /nfs/dbraw/zinc/75/74/63/1292757463.db2.gz IJPFFYYNPWNMKI-RYRKJORJSA-N 2 1 348.560 3.438 20 30 EGEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160726559 1294275888 /nfs/dbraw/zinc/27/58/88/1294275888.db2.gz XOEVGIMMWSHWAQ-LBPRGKRZSA-N 2 1 344.381 3.186 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000246400485 1296351420 /nfs/dbraw/zinc/35/14/20/1296351420.db2.gz LQHFFWHNCDQZST-OKZBNKHCSA-N 2 1 343.471 3.093 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000246400485 1296351431 /nfs/dbraw/zinc/35/14/31/1296351431.db2.gz LQHFFWHNCDQZST-OKZBNKHCSA-N 2 1 343.471 3.093 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000247240117 1296385352 /nfs/dbraw/zinc/38/53/52/1296385352.db2.gz ZNZDOTUXJQRLCD-QFBILLFUSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000247240117 1296385362 /nfs/dbraw/zinc/38/53/62/1296385362.db2.gz ZNZDOTUXJQRLCD-QFBILLFUSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000247240117 1296385379 /nfs/dbraw/zinc/38/53/79/1296385379.db2.gz ZNZDOTUXJQRLCD-QFBILLFUSA-N 2 1 330.472 3.045 20 30 EGEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1cc(F)ccc1F ZINC000262256988 1296624223 /nfs/dbraw/zinc/62/42/23/1296624223.db2.gz FPRVFXSISVOSHN-INIZCTEOSA-N 2 1 344.409 3.356 20 30 EGEDMP CC[NH+](CC)[C@H](CNC1=[NH+]C[C@@H](C)N1)c1ccc(C(F)(F)F)cc1 ZINC000262479781 1296634746 /nfs/dbraw/zinc/63/47/46/1296634746.db2.gz CUBMKYFOARSPNX-IUODEOHRSA-N 2 1 342.409 3.026 20 30 EGEDMP C#C[C@@H](C)[NH+](C)Cc1ccc(Br)cc1C[N@@H+](C)[C@H](C)C#C ZINC000769978353 1303201097 /nfs/dbraw/zinc/20/10/97/1303201097.db2.gz XEMAHAIJZKVKJC-HUUCEWRRSA-N 2 1 347.300 3.356 20 30 EGEDMP C#C[C@@H](C)[NH+](C)Cc1cc(Br)ccc1C[N@H+](C)[C@H](C)C#C ZINC000769978353 1303201088 /nfs/dbraw/zinc/20/10/88/1303201088.db2.gz XEMAHAIJZKVKJC-HUUCEWRRSA-N 2 1 347.300 3.356 20 30 EGEDMP C#C[C@@H](C)[NH+](C)Cc1ccc(Br)cc1C[N@H+](C)[C@H](C)C#C ZINC000769978353 1303201092 /nfs/dbraw/zinc/20/10/92/1303201092.db2.gz XEMAHAIJZKVKJC-HUUCEWRRSA-N 2 1 347.300 3.356 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000903091805 1317650508 /nfs/dbraw/zinc/65/05/08/1317650508.db2.gz AYCDNMSAVMCFCD-HNNXBMFYSA-N 2 1 337.508 3.062 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000838951391 1320840750 /nfs/dbraw/zinc/84/07/50/1320840750.db2.gz HQEDOHTUKZHEKC-GOSISDBHSA-N 2 1 343.471 3.093 20 30 EGEDMP CCC[N@H+]1CC[C@H](CNCc2cc(C#N)ccc2Br)C1 ZINC000921582093 1322358190 /nfs/dbraw/zinc/35/81/90/1322358190.db2.gz QCTFOGSFRACEIN-CQSZACIVSA-N 2 1 336.277 3.142 20 30 EGEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000859994717 1329124044 /nfs/dbraw/zinc/12/40/44/1329124044.db2.gz AUIVJJACBGLGIZ-OAQYLSRUSA-N 2 1 337.467 3.175 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025274566 1324092641 /nfs/dbraw/zinc/09/26/41/1324092641.db2.gz KRNBMMCUWQUJHX-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948372275 1333498698 /nfs/dbraw/zinc/49/86/98/1333498698.db2.gz BALKWSQJIGIQSU-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC000968926137 1336092426 /nfs/dbraw/zinc/09/24/26/1336092426.db2.gz VPONHXSAFCKNSK-KRWDZBQOSA-N 2 1 340.471 3.193 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918290 1340883710 /nfs/dbraw/zinc/88/37/10/1340883710.db2.gz DIGYCROEORECJZ-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918290 1340883711 /nfs/dbraw/zinc/88/37/11/1340883711.db2.gz DIGYCROEORECJZ-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918290 1340883712 /nfs/dbraw/zinc/88/37/12/1340883712.db2.gz DIGYCROEORECJZ-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001045647269 1346658300 /nfs/dbraw/zinc/65/83/00/1346658300.db2.gz ZBZOHUXQLGMVBV-UHFFFAOYSA-N 2 1 349.906 3.085 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945025 1346781014 /nfs/dbraw/zinc/78/10/14/1346781014.db2.gz MTPMZRUHYVYXGX-PZJWPPBQSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583257 1347605961 /nfs/dbraw/zinc/60/59/61/1347605961.db2.gz IGKOWUNDPPSXFT-LTFPLMDUSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049560912 1347910012 /nfs/dbraw/zinc/91/00/12/1347910012.db2.gz BSAMZLKDMNASOB-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049560912 1347910014 /nfs/dbraw/zinc/91/00/14/1347910014.db2.gz BSAMZLKDMNASOB-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049560912 1347910017 /nfs/dbraw/zinc/91/00/17/1347910017.db2.gz BSAMZLKDMNASOB-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049914871 1348109722 /nfs/dbraw/zinc/10/97/22/1348109722.db2.gz RMRFIWSXHDITSX-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052516524 1348564144 /nfs/dbraw/zinc/56/41/44/1348564144.db2.gz PEJGJKSSDOTUCF-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516524 1348564146 /nfs/dbraw/zinc/56/41/46/1348564146.db2.gz PEJGJKSSDOTUCF-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052516524 1348564147 /nfs/dbraw/zinc/56/41/47/1348564147.db2.gz PEJGJKSSDOTUCF-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089379922 1360382855 /nfs/dbraw/zinc/38/28/55/1360382855.db2.gz APBZEJMPJZLMDJ-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089379922 1360382859 /nfs/dbraw/zinc/38/28/59/1360382859.db2.gz APBZEJMPJZLMDJ-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089379922 1360382862 /nfs/dbraw/zinc/38/28/62/1360382862.db2.gz APBZEJMPJZLMDJ-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390941 1360391821 /nfs/dbraw/zinc/39/18/21/1360391821.db2.gz JLPOCNUQCCJUPW-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390941 1360391822 /nfs/dbraw/zinc/39/18/22/1360391822.db2.gz JLPOCNUQCCJUPW-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089390941 1360391826 /nfs/dbraw/zinc/39/18/26/1360391826.db2.gz JLPOCNUQCCJUPW-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC(C)(C)C1 ZINC001089415891 1360409826 /nfs/dbraw/zinc/40/98/26/1360409826.db2.gz DWPSJGZALRDYJR-GOSISDBHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC(C)(C)C1 ZINC001089426146 1360419268 /nfs/dbraw/zinc/41/92/68/1360419268.db2.gz HCVRLJLBQQRUCJ-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426146 1360419270 /nfs/dbraw/zinc/41/92/70/1360419270.db2.gz HCVRLJLBQQRUCJ-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC(C)(C)C1 ZINC001089426146 1360419273 /nfs/dbraw/zinc/41/92/73/1360419273.db2.gz HCVRLJLBQQRUCJ-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445424 1360434360 /nfs/dbraw/zinc/43/43/60/1360434360.db2.gz INGGSFGBVMKRSJ-MOPGFXCFSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001099080120 1363611916 /nfs/dbraw/zinc/61/19/16/1363611916.db2.gz MOVKKUUWNAPQHU-DLBZAZTESA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001099080120 1363611918 /nfs/dbraw/zinc/61/19/18/1363611918.db2.gz MOVKKUUWNAPQHU-DLBZAZTESA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153657 1363659616 /nfs/dbraw/zinc/65/96/16/1363659616.db2.gz NMPWPFPTVSKODX-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099229715 1363703293 /nfs/dbraw/zinc/70/32/93/1363703293.db2.gz MFYXKXYUESRRPX-MSOLQXFVSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099241339 1363709848 /nfs/dbraw/zinc/70/98/48/1363709848.db2.gz YYGJJNAVTJTBRD-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099241339 1363709850 /nfs/dbraw/zinc/70/98/50/1363709850.db2.gz YYGJJNAVTJTBRD-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001099241339 1363709851 /nfs/dbraw/zinc/70/98/51/1363709851.db2.gz YYGJJNAVTJTBRD-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001099271020 1363725717 /nfs/dbraw/zinc/72/57/17/1363725717.db2.gz RSEBXHPZKGBBPL-ZWKOTPCHSA-N 2 1 337.552 3.146 20 30 EGEDMP C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310624 1363743785 /nfs/dbraw/zinc/74/37/85/1363743785.db2.gz RHKLIBRTBVRBPF-INIZCTEOSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099310624 1363743793 /nfs/dbraw/zinc/74/37/93/1363743793.db2.gz RHKLIBRTBVRBPF-INIZCTEOSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185234689 1387657770 /nfs/dbraw/zinc/65/77/70/1387657770.db2.gz IRALXTCBTLYCBX-ZWKOTPCHSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101542989 1364607953 /nfs/dbraw/zinc/60/79/53/1364607953.db2.gz LPXXNEBDOANXMB-IEBWSBKVSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001101566687 1364622895 /nfs/dbraw/zinc/62/28/95/1364622895.db2.gz CBRWUWBTZIXRSE-SFHVURJKSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101596068 1364646698 /nfs/dbraw/zinc/64/66/98/1364646698.db2.gz IEKREBMVLZSFKW-UHFFFAOYSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001103271246 1365465615 /nfs/dbraw/zinc/46/56/15/1365465615.db2.gz FZGCJICANUARRW-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001103271246 1365465617 /nfs/dbraw/zinc/46/56/17/1365465617.db2.gz FZGCJICANUARRW-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001103271246 1365465619 /nfs/dbraw/zinc/46/56/19/1365465619.db2.gz FZGCJICANUARRW-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495811 1365597271 /nfs/dbraw/zinc/59/72/71/1365597271.db2.gz UYQZOJFCAIYLEA-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106860157 1366818414 /nfs/dbraw/zinc/81/84/14/1366818414.db2.gz LQXFGVSXTJNPOZ-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)CCC[C@@H]12 ZINC001107581601 1367056265 /nfs/dbraw/zinc/05/62/65/1367056265.db2.gz FXFCJKVDABOVQV-SVFBPWRDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001109355930 1367084850 /nfs/dbraw/zinc/08/48/50/1367084850.db2.gz ALPKBHUMNWZBLG-IKGGRYGDSA-N 2 1 347.528 3.111 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001109355930 1367084869 /nfs/dbraw/zinc/08/48/69/1367084869.db2.gz ALPKBHUMNWZBLG-IKGGRYGDSA-N 2 1 347.528 3.111 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190083364 1367168260 /nfs/dbraw/zinc/16/82/60/1367168260.db2.gz ANSMJOMWKWHHAZ-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190083364 1367168265 /nfs/dbraw/zinc/16/82/65/1367168265.db2.gz ANSMJOMWKWHHAZ-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190083364 1367168269 /nfs/dbraw/zinc/16/82/69/1367168269.db2.gz ANSMJOMWKWHHAZ-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186081868 1387862809 /nfs/dbraw/zinc/86/28/09/1387862809.db2.gz CDUOKGNUQPLEBA-RTBURBONSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743624 1367340683 /nfs/dbraw/zinc/34/06/83/1367340683.db2.gz MOPVENKQXIXPIM-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190743624 1367340685 /nfs/dbraw/zinc/34/06/85/1367340685.db2.gz MOPVENKQXIXPIM-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190743624 1367340689 /nfs/dbraw/zinc/34/06/89/1367340689.db2.gz MOPVENKQXIXPIM-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641672 1367840753 /nfs/dbraw/zinc/84/07/53/1367840753.db2.gz MKZXFJPKKARPEW-ROUUACIJSA-N 2 1 346.519 3.284 20 30 EGEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641672 1367840757 /nfs/dbraw/zinc/84/07/57/1367840757.db2.gz MKZXFJPKKARPEW-ROUUACIJSA-N 2 1 346.519 3.284 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001110576453 1367843923 /nfs/dbraw/zinc/84/39/23/1367843923.db2.gz JAESSIYADMAASU-IVDHNXQLSA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C2 ZINC001110576453 1367843926 /nfs/dbraw/zinc/84/39/26/1367843926.db2.gz JAESSIYADMAASU-IVDHNXQLSA-N 2 1 349.563 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001110576453 1367843929 /nfs/dbraw/zinc/84/39/29/1367843929.db2.gz JAESSIYADMAASU-IVDHNXQLSA-N 2 1 349.563 3.409 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578416 1367846031 /nfs/dbraw/zinc/84/60/31/1367846031.db2.gz GJQJXCARGFJRGA-MLHJIOFPSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578416 1367846034 /nfs/dbraw/zinc/84/60/34/1367846034.db2.gz GJQJXCARGFJRGA-MLHJIOFPSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001111025326 1368145857 /nfs/dbraw/zinc/14/58/57/1368145857.db2.gz XLYOAXBUBWHAFG-QRVBRYPASA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025326 1368145859 /nfs/dbraw/zinc/14/58/59/1368145859.db2.gz XLYOAXBUBWHAFG-QRVBRYPASA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001111025326 1368145863 /nfs/dbraw/zinc/14/58/63/1368145863.db2.gz XLYOAXBUBWHAFG-QRVBRYPASA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001111180575 1368182269 /nfs/dbraw/zinc/18/22/69/1368182269.db2.gz DIRAGABLAQBFHK-AQNXPRMDSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449670 1368263931 /nfs/dbraw/zinc/26/39/31/1368263931.db2.gz WSPBUFOTPDOMCH-ICSRJNTNSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449670 1368263936 /nfs/dbraw/zinc/26/39/36/1368263936.db2.gz WSPBUFOTPDOMCH-ICSRJNTNSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449670 1368263943 /nfs/dbraw/zinc/26/39/43/1368263943.db2.gz WSPBUFOTPDOMCH-ICSRJNTNSA-N 2 1 343.515 3.006 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449670 1368263946 /nfs/dbraw/zinc/26/39/46/1368263946.db2.gz WSPBUFOTPDOMCH-ICSRJNTNSA-N 2 1 343.515 3.006 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111860818 1368511107 /nfs/dbraw/zinc/51/11/07/1368511107.db2.gz BIMCMANVMZYMQL-FPOVZHCZSA-N 2 1 349.563 3.269 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874990 1368521111 /nfs/dbraw/zinc/52/11/11/1368521111.db2.gz LGBNFPNRWHMFKU-BJLQDIEVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540399 1368920835 /nfs/dbraw/zinc/92/08/35/1368920835.db2.gz UZQLFGHEEPWUBH-ZVDOUQERSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001198230182 1368985034 /nfs/dbraw/zinc/98/50/34/1368985034.db2.gz XPJHBHOUORRUAL-SFHVURJKSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259919 1368992602 /nfs/dbraw/zinc/99/26/02/1368992602.db2.gz UEZNXDLAKDHICH-UYAOXDASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259919 1368992606 /nfs/dbraw/zinc/99/26/06/1368992606.db2.gz UEZNXDLAKDHICH-UYAOXDASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001113050700 1369166979 /nfs/dbraw/zinc/16/69/79/1369166979.db2.gz URWMINPCBDBJNQ-QGZVFWFLSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001113341253 1369359131 /nfs/dbraw/zinc/35/91/31/1369359131.db2.gz PMLMBMCYCZJTEU-SFHVURJKSA-N 2 1 325.541 3.221 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577710 1369393229 /nfs/dbraw/zinc/39/32/29/1369393229.db2.gz FBDRUBSYJCPWLM-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1CCC[C@@]2(C1)COCCN(CCOC)C2 ZINC001201762905 1369618715 /nfs/dbraw/zinc/61/87/15/1369618715.db2.gz ZAIGINURZGNZHT-IBGZPJMESA-N 2 1 326.525 3.018 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001114285772 1369851175 /nfs/dbraw/zinc/85/11/75/1369851175.db2.gz TVXKLNWNFVMXCT-BWTSREIZSA-N 2 1 349.563 3.268 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576440 1370175883 /nfs/dbraw/zinc/17/58/83/1370175883.db2.gz DJOSLOWKKQMREB-MSOLQXFVSA-N 2 1 337.552 3.316 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579276 1370582750 /nfs/dbraw/zinc/58/27/50/1370582750.db2.gz GCVPEVVJDCLNNZ-GOSISDBHSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611755 1370610282 /nfs/dbraw/zinc/61/02/82/1370610282.db2.gz VVILMVZXQGYUSX-SFHVURJKSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205339616 1370726246 /nfs/dbraw/zinc/72/62/46/1370726246.db2.gz IRPKBKRYAUAMNC-KRWDZBQOSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC001115754289 1370736284 /nfs/dbraw/zinc/73/62/84/1370736284.db2.gz YPFLYAGNTBKMQO-UHFFFAOYSA-N 2 1 346.519 3.381 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541033 1371430160 /nfs/dbraw/zinc/43/01/60/1371430160.db2.gz QIXUDYMZGMKLDI-VAMGGRTRSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541033 1371430161 /nfs/dbraw/zinc/43/01/61/1371430161.db2.gz QIXUDYMZGMKLDI-VAMGGRTRSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541033 1371430165 /nfs/dbraw/zinc/43/01/65/1371430165.db2.gz QIXUDYMZGMKLDI-VAMGGRTRSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001120431141 1371573773 /nfs/dbraw/zinc/57/37/73/1371573773.db2.gz PZMGSINMXICXEJ-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431141 1371573778 /nfs/dbraw/zinc/57/37/78/1371573778.db2.gz PZMGSINMXICXEJ-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001120431141 1371573783 /nfs/dbraw/zinc/57/37/83/1371573783.db2.gz PZMGSINMXICXEJ-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194031 1371885238 /nfs/dbraw/zinc/88/52/38/1371885238.db2.gz NMWTVCGQURBJDH-CGAYHSHTSA-N 2 1 347.547 3.233 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301444 1372524950 /nfs/dbraw/zinc/52/49/50/1372524950.db2.gz XBNXWITYZGDMTO-RTBURBONSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132212361 1375213081 /nfs/dbraw/zinc/21/30/81/1375213081.db2.gz XDPJDHDNVRNQAE-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265552 1375254927 /nfs/dbraw/zinc/25/49/27/1375254927.db2.gz OKGNJBTZKQUULX-HKUYNNGSSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410069 1375358364 /nfs/dbraw/zinc/35/83/64/1375358364.db2.gz JKIAQWUDMPBIIO-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410069 1375358372 /nfs/dbraw/zinc/35/83/72/1375358372.db2.gz JKIAQWUDMPBIIO-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410069 1375358376 /nfs/dbraw/zinc/35/83/76/1375358376.db2.gz JKIAQWUDMPBIIO-ZWKOTPCHSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227307501 1375418434 /nfs/dbraw/zinc/41/84/34/1375418434.db2.gz CHAYAQRXNFCLCG-IBGZPJMESA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001227791287 1375474993 /nfs/dbraw/zinc/47/49/93/1375474993.db2.gz BKSKZSDQXCNLRT-YLJYHZDGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132942206 1375661770 /nfs/dbraw/zinc/66/17/70/1375661770.db2.gz YGNAPFRFBLOQAO-MSOLQXFVSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133166534 1375819804 /nfs/dbraw/zinc/81/98/04/1375819804.db2.gz UZYMGEHVTAESQB-PKOBYXMFSA-N 2 1 346.519 3.012 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598506 1376094051 /nfs/dbraw/zinc/09/40/51/1376094051.db2.gz QRRYYSUULWKOFS-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481294 1377114062 /nfs/dbraw/zinc/11/40/62/1377114062.db2.gz SOKKNNAABUPCSO-MOPGFXCFSA-N 2 1 345.531 3.000 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135627184 1377167961 /nfs/dbraw/zinc/16/79/61/1377167961.db2.gz XSOXVZLWGXERJN-DLBZAZTESA-N 2 1 334.508 3.236 20 30 EGEDMP C#CCOc1ccc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1 ZINC001279596765 1378315190 /nfs/dbraw/zinc/31/51/90/1378315190.db2.gz YLTXOVQCHMOIAR-UHFFFAOYSA-N 2 1 349.478 3.125 20 30 EGEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001144571799 1378747084 /nfs/dbraw/zinc/74/70/84/1378747084.db2.gz IVRQFCPOZWYWEM-YADHBBJMSA-N 2 1 331.463 3.017 20 30 EGEDMP C#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001144571799 1378747086 /nfs/dbraw/zinc/74/70/86/1378747086.db2.gz IVRQFCPOZWYWEM-YADHBBJMSA-N 2 1 331.463 3.017 20 30 EGEDMP C#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001144571799 1378747088 /nfs/dbraw/zinc/74/70/88/1378747088.db2.gz IVRQFCPOZWYWEM-YADHBBJMSA-N 2 1 331.463 3.017 20 30 EGEDMP C#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1 ZINC001144571799 1378747091 /nfs/dbraw/zinc/74/70/91/1378747091.db2.gz IVRQFCPOZWYWEM-YADHBBJMSA-N 2 1 331.463 3.017 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148476908 1379181293 /nfs/dbraw/zinc/18/12/93/1379181293.db2.gz AAWPSSXBQQLDKC-MOPGFXCFSA-N 2 1 349.563 3.242 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001153677428 1380113860 /nfs/dbraw/zinc/11/38/60/1380113860.db2.gz CTYPAMFMMMEJBV-QZTJIDSGSA-N 2 1 345.547 3.463 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033714 1380187049 /nfs/dbraw/zinc/18/70/49/1380187049.db2.gz KLMPVVHLPQCXMH-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033714 1380187052 /nfs/dbraw/zinc/18/70/52/1380187052.db2.gz KLMPVVHLPQCXMH-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033714 1380187054 /nfs/dbraw/zinc/18/70/54/1380187054.db2.gz KLMPVVHLPQCXMH-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001154464124 1380282573 /nfs/dbraw/zinc/28/25/73/1380282573.db2.gz FJJSERUORBNUFY-GOSISDBHSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001154464124 1380282574 /nfs/dbraw/zinc/28/25/74/1380282574.db2.gz FJJSERUORBNUFY-GOSISDBHSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001154464124 1380282575 /nfs/dbraw/zinc/28/25/75/1380282575.db2.gz FJJSERUORBNUFY-GOSISDBHSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157109533 1380776720 /nfs/dbraw/zinc/77/67/20/1380776720.db2.gz QHIPXWGZPXKHAD-MOPGFXCFSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555540 1381295619 /nfs/dbraw/zinc/29/56/19/1381295619.db2.gz UBQKJMJZIFVJNU-UYAOXDASSA-N 2 1 349.563 3.386 20 30 EGEDMP Cc1[nH+]ccn1-c1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001159509730 1381813251 /nfs/dbraw/zinc/81/32/51/1381813251.db2.gz TXELRHCKFZAXPW-UHFFFAOYSA-N 2 1 329.407 3.483 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169318 1382023122 /nfs/dbraw/zinc/02/31/22/1382023122.db2.gz PKIWJVDILJUHCE-KRWDZBQOSA-N 2 1 344.503 3.111 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001160169318 1382023123 /nfs/dbraw/zinc/02/31/23/1382023123.db2.gz PKIWJVDILJUHCE-KRWDZBQOSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161704544 1382485455 /nfs/dbraw/zinc/48/54/55/1382485455.db2.gz CKQOKHBVINILJN-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161704544 1382485457 /nfs/dbraw/zinc/48/54/57/1382485457.db2.gz CKQOKHBVINILJN-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161704544 1382485458 /nfs/dbraw/zinc/48/54/58/1382485458.db2.gz CKQOKHBVINILJN-FQEVSTJZSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCC[NH+]2CCN(C)CC2)cc1 ZINC001161710247 1382486630 /nfs/dbraw/zinc/48/66/30/1382486630.db2.gz AUDIOQPGNAVZET-OAQYLSRUSA-N 2 1 342.531 3.059 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1c1ccc(NCCCN2CC[NH+](C)CC2)cc1 ZINC001161710247 1382486631 /nfs/dbraw/zinc/48/66/31/1382486631.db2.gz AUDIOQPGNAVZET-OAQYLSRUSA-N 2 1 342.531 3.059 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCCCN2CC[NH+](C)CC2)cc1 ZINC001161710247 1382486633 /nfs/dbraw/zinc/48/66/33/1382486633.db2.gz AUDIOQPGNAVZET-OAQYLSRUSA-N 2 1 342.531 3.059 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001161893601 1382543148 /nfs/dbraw/zinc/54/31/48/1382543148.db2.gz MIZUKOVJHUOEEP-UHFFFAOYSA-N 2 1 347.547 3.357 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001161993616 1382592649 /nfs/dbraw/zinc/59/26/49/1382592649.db2.gz DZCITMSIXALEEQ-UHFFFAOYSA-N 2 1 347.547 3.357 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514361 1383195328 /nfs/dbraw/zinc/19/53/28/1383195328.db2.gz QGVOJLOHBCMDGG-MSOLQXFVSA-N 2 1 335.536 3.090 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578878 1383201439 /nfs/dbraw/zinc/20/14/39/1383201439.db2.gz XASOZYJRGZQZGG-KRWDZBQOSA-N 2 1 346.519 3.239 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170788139 1384385965 /nfs/dbraw/zinc/38/59/65/1384385965.db2.gz ZMGRZJPOGQNXCK-OALUTQOASA-N 2 1 349.563 3.482 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171247973 1384478074 /nfs/dbraw/zinc/47/80/74/1384478074.db2.gz PJZIKZWMZHMHTF-RTBURBONSA-N 2 1 337.552 3.480 20 30 EGEDMP COCCC[NH+]1CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001172253743 1384756741 /nfs/dbraw/zinc/75/67/41/1384756741.db2.gz ACXVBELLJMSAAQ-UHFFFAOYSA-N 2 1 341.499 3.239 20 30 EGEDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](C3CCC(CC#N)CC3)C2)C1 ZINC001173332725 1384960899 /nfs/dbraw/zinc/96/08/99/1384960899.db2.gz DYQIDPRFQODIDS-BCKAPOECSA-N 2 1 345.531 3.139 20 30 EGEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173332725 1384960902 /nfs/dbraw/zinc/96/09/02/1384960902.db2.gz DYQIDPRFQODIDS-BCKAPOECSA-N 2 1 345.531 3.139 20 30 EGEDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](C3CCC(CC#N)CC3)C2)C1 ZINC001173332725 1384960906 /nfs/dbraw/zinc/96/09/06/1384960906.db2.gz DYQIDPRFQODIDS-BCKAPOECSA-N 2 1 345.531 3.139 20 30 EGEDMP CC1(C#N)CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001173591556 1384982762 /nfs/dbraw/zinc/98/27/62/1384982762.db2.gz MFHIVPCQCKRDJR-UHFFFAOYSA-N 2 1 327.472 3.419 20 30 EGEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175262177 1385232273 /nfs/dbraw/zinc/23/22/73/1385232273.db2.gz CPZZEKCYBJOURK-APWZRJJASA-N 2 1 341.515 3.040 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001178722686 1386290109 /nfs/dbraw/zinc/29/01/09/1386290109.db2.gz NOKTUWPFEXALGZ-IBGZPJMESA-N 2 1 349.563 3.177 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCC(C)(C)C ZINC001178722686 1386290113 /nfs/dbraw/zinc/29/01/13/1386290113.db2.gz NOKTUWPFEXALGZ-IBGZPJMESA-N 2 1 349.563 3.177 20 30 EGEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001700446195 1414022741 /nfs/dbraw/zinc/02/27/41/1414022741.db2.gz KFBBSSCCNQMOBL-MRXNPFEDSA-N 2 1 343.943 3.076 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752514785 1440190909 /nfs/dbraw/zinc/19/09/09/1440190909.db2.gz SQZYTRNWEOYZCT-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001752706656 1440202693 /nfs/dbraw/zinc/20/26/93/1440202693.db2.gz IPVQXZMVHIQMSG-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001752706656 1440202694 /nfs/dbraw/zinc/20/26/94/1440202694.db2.gz IPVQXZMVHIQMSG-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001752706656 1440202695 /nfs/dbraw/zinc/20/26/95/1440202695.db2.gz IPVQXZMVHIQMSG-OALUTQOASA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752784218 1440210456 /nfs/dbraw/zinc/21/04/56/1440210456.db2.gz XNZAMIUMPDKIOZ-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001752789592 1440213358 /nfs/dbraw/zinc/21/33/58/1440213358.db2.gz GOWSGNBGMHQDRX-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001753445102 1440403335 /nfs/dbraw/zinc/40/33/35/1440403335.db2.gz FVCRCFUGGAVPTM-XLIONFOSSA-N 2 1 343.515 3.249 20 30 EGEDMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001753557388 1440436307 /nfs/dbraw/zinc/43/63/07/1440436307.db2.gz KLPNIPPGKKDJEP-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001754540437 1440626038 /nfs/dbraw/zinc/62/60/38/1440626038.db2.gz VMCOWJUPRGFAKM-RAFMOHDBSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001754549739 1440629505 /nfs/dbraw/zinc/62/95/05/1440629505.db2.gz RDRXSCRMJZVEFE-FQEVSTJZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001754549739 1440629506 /nfs/dbraw/zinc/62/95/06/1440629506.db2.gz RDRXSCRMJZVEFE-FQEVSTJZSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001754549739 1440629507 /nfs/dbraw/zinc/62/95/07/1440629507.db2.gz RDRXSCRMJZVEFE-FQEVSTJZSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001754567808 1440636274 /nfs/dbraw/zinc/63/62/74/1440636274.db2.gz UEDFRVPEQFMAEH-PZJWPPBQSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001754567808 1440636275 /nfs/dbraw/zinc/63/62/75/1440636275.db2.gz UEDFRVPEQFMAEH-PZJWPPBQSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001754567808 1440636276 /nfs/dbraw/zinc/63/62/76/1440636276.db2.gz UEDFRVPEQFMAEH-PZJWPPBQSA-N 2 1 349.563 3.223 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001755026510 1440729156 /nfs/dbraw/zinc/72/91/56/1440729156.db2.gz QXGJZFGALYXAMW-KRWDZBQOSA-N 2 1 340.471 3.193 20 30 EGEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001755028968 1440730397 /nfs/dbraw/zinc/73/03/97/1440730397.db2.gz KIKJRWTUBVGUSB-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001755028968 1440730398 /nfs/dbraw/zinc/73/03/98/1440730398.db2.gz KIKJRWTUBVGUSB-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001755028968 1440730399 /nfs/dbraw/zinc/73/03/99/1440730399.db2.gz KIKJRWTUBVGUSB-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001755274872 1440798612 /nfs/dbraw/zinc/79/86/12/1440798612.db2.gz MXHHYGXLDPYGTE-UHFFFAOYSA-N 2 1 347.547 3.022 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001755764685 1440915795 /nfs/dbraw/zinc/91/57/95/1440915795.db2.gz XZXRZWNCDSSHAO-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268688783 252141959 /nfs/dbraw/zinc/14/19/59/252141959.db2.gz OMGVZQMIOXUTQN-LMNJBCLMSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268688783 252141965 /nfs/dbraw/zinc/14/19/65/252141965.db2.gz OMGVZQMIOXUTQN-LMNJBCLMSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268688783 252141968 /nfs/dbraw/zinc/14/19/68/252141968.db2.gz OMGVZQMIOXUTQN-LMNJBCLMSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000268688783 252141972 /nfs/dbraw/zinc/14/19/72/252141972.db2.gz OMGVZQMIOXUTQN-LMNJBCLMSA-N 2 1 341.499 3.178 20 30 EGEDMP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268714358 252164164 /nfs/dbraw/zinc/16/41/64/252164164.db2.gz ULYOSVAAETZAJE-IRLDBZIGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268714358 252164166 /nfs/dbraw/zinc/16/41/66/252164166.db2.gz ULYOSVAAETZAJE-IRLDBZIGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268714358 252164170 /nfs/dbraw/zinc/16/41/70/252164170.db2.gz ULYOSVAAETZAJE-IRLDBZIGSA-N 2 1 349.478 3.046 20 30 EGEDMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268714358 252164173 /nfs/dbraw/zinc/16/41/73/252164173.db2.gz ULYOSVAAETZAJE-IRLDBZIGSA-N 2 1 349.478 3.046 20 30 EGEDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000064613254 454493547 /nfs/dbraw/zinc/49/35/47/454493547.db2.gz RIZLSACIFVOHKV-UHFFFAOYSA-N 2 1 333.476 3.199 20 30 EGEDMP COc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000178577538 454962236 /nfs/dbraw/zinc/96/22/36/454962236.db2.gz IVXYINRIJCBAPL-GOSISDBHSA-N 2 1 338.455 3.086 20 30 EGEDMP C=C(C)COc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000294720669 455824959 /nfs/dbraw/zinc/82/49/59/455824959.db2.gz CLTDSODLPQYLOY-AYHJJNSGSA-N 2 1 330.472 3.365 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000294720669 455824974 /nfs/dbraw/zinc/82/49/74/455824974.db2.gz CLTDSODLPQYLOY-AYHJJNSGSA-N 2 1 330.472 3.365 20 30 EGEDMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278791613 455848492 /nfs/dbraw/zinc/84/84/92/455848492.db2.gz QLPKJGBHCDYPOK-FUHIMQAGSA-N 2 1 329.488 3.488 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000290363394 456306130 /nfs/dbraw/zinc/30/61/30/456306130.db2.gz GXTKZLORPVDYDP-UHFFFAOYSA-N 2 1 326.444 3.238 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000290363394 456306137 /nfs/dbraw/zinc/30/61/37/456306137.db2.gz GXTKZLORPVDYDP-UHFFFAOYSA-N 2 1 326.444 3.238 20 30 EGEDMP C[N@@H+](CCCn1ccnc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000290450404 456331670 /nfs/dbraw/zinc/33/16/70/456331670.db2.gz MIMVNPFBWCTTKE-UHFFFAOYSA-N 2 1 348.454 3.182 20 30 EGEDMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000329664157 456924465 /nfs/dbraw/zinc/92/44/65/456924465.db2.gz QELULUSQXSKUMA-UHFFFAOYSA-N 2 1 326.444 3.097 20 30 EGEDMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1cccc(C#N)c1)CC2 ZINC000329664157 456924468 /nfs/dbraw/zinc/92/44/68/456924468.db2.gz QELULUSQXSKUMA-UHFFFAOYSA-N 2 1 326.444 3.097 20 30 EGEDMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)CC2)CC1 ZINC000420978195 458405507 /nfs/dbraw/zinc/40/55/07/458405507.db2.gz JCJSTUOPFQYWJP-SFHVURJKSA-N 2 1 340.515 3.111 20 30 EGEDMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H](C#N)C3)CC2)cs1 ZINC000442788644 459035447 /nfs/dbraw/zinc/03/54/47/459035447.db2.gz YECUTGPKFRJXJU-HOTGVXAUSA-N 2 1 332.517 3.199 20 30 EGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 ZINC000496489454 459212698 /nfs/dbraw/zinc/21/26/98/459212698.db2.gz ITAWTZMSGMUPFB-QGZVFWFLSA-N 2 1 339.524 3.166 20 30 EGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000481173816 459237623 /nfs/dbraw/zinc/23/76/23/459237623.db2.gz GXUSOWIUPQJHLX-PGRDOPGGSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000481173816 459237631 /nfs/dbraw/zinc/23/76/31/459237631.db2.gz GXUSOWIUPQJHLX-PGRDOPGGSA-N 2 1 349.478 3.437 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496929293 459375485 /nfs/dbraw/zinc/37/54/85/459375485.db2.gz SELGADPWXFQYHF-MRXNPFEDSA-N 2 1 339.524 3.310 20 30 EGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612860 459962528 /nfs/dbraw/zinc/96/25/28/459962528.db2.gz CFYMXXOGVXPGTP-SJORKVTESA-N 2 1 349.544 3.111 20 30 EGEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612860 459962535 /nfs/dbraw/zinc/96/25/35/459962535.db2.gz CFYMXXOGVXPGTP-SJORKVTESA-N 2 1 349.544 3.111 20 30 EGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612860 459962540 /nfs/dbraw/zinc/96/25/40/459962540.db2.gz CFYMXXOGVXPGTP-SJORKVTESA-N 2 1 349.544 3.111 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621751245 460047504 /nfs/dbraw/zinc/04/75/04/460047504.db2.gz CGMWJFAQPDLQAP-LJQANCHMSA-N 2 1 327.472 3.114 20 30 EGEDMP N#Cc1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000602672238 460058229 /nfs/dbraw/zinc/05/82/29/460058229.db2.gz XAYGWOIHIRGROW-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594440431 460221873 /nfs/dbraw/zinc/22/18/73/460221873.db2.gz CGFBJJYGCQCCAV-LPHOPBHVSA-N 2 1 342.487 3.411 20 30 EGEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815549 460983848 /nfs/dbraw/zinc/98/38/48/460983848.db2.gz WVWSFYBHJBYPMZ-OXQOHEQNSA-N 2 1 327.472 3.026 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543939 461759175 /nfs/dbraw/zinc/75/91/75/461759175.db2.gz UQWBHVLKYKXYDC-RBUKOAKNSA-N 2 1 344.499 3.472 20 30 EGEDMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](C#N)CCC#N)cc2)CC1 ZINC000738426838 576324606 /nfs/dbraw/zinc/32/46/06/576324606.db2.gz ATPVYXNPNJVTCU-GOSISDBHSA-N 2 1 339.487 3.320 20 30 EGEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000104191501 1293019724 /nfs/dbraw/zinc/01/97/24/1293019724.db2.gz OZQOPWNLMOZDNH-NSHDSACASA-N 2 1 332.370 3.042 20 30 EGEDMP C#CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183099983 1295098181 /nfs/dbraw/zinc/09/81/81/1295098181.db2.gz UBMGXVIJOWRHIC-HKUYNNGSSA-N 2 1 326.484 3.441 20 30 EGEDMP COc1ccc(OC)c(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303885240 1296868896 /nfs/dbraw/zinc/86/88/96/1296868896.db2.gz JOGFDXJJCWVFHG-HNNXBMFYSA-N 2 1 348.491 3.085 20 30 EGEDMP CCCNC(=[NH2+])NC[C@@H](c1ccc(C(F)(F)F)cc1)[NH+](CC)CC ZINC000303883912 1296868948 /nfs/dbraw/zinc/86/89/48/1296868948.db2.gz MLEMZRHPPVMMGM-HNNXBMFYSA-N 2 1 344.425 3.403 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303896794 1296873401 /nfs/dbraw/zinc/87/34/01/1296873401.db2.gz UUNXSZRMBJUBEQ-GASCZTMLSA-N 2 1 332.492 3.178 20 30 EGEDMP CCc1cccc(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000303911844 1296880501 /nfs/dbraw/zinc/88/05/01/1296880501.db2.gz ZVQKLFOFXKRBLF-UHFFFAOYSA-N 2 1 336.483 3.424 20 30 EGEDMP COc1cccc([C@H](CNC(=[NH2+])N2CCCCCC2)[NH+]2CCCC2)c1 ZINC000305076127 1296969279 /nfs/dbraw/zinc/96/92/79/1296969279.db2.gz QMZYVORUFKCHQB-IBGZPJMESA-N 2 1 344.503 3.023 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000385507222 1297583461 /nfs/dbraw/zinc/58/34/61/1297583461.db2.gz MABIFVZSMULVAJ-GFCCVEGCSA-N 2 1 327.291 3.043 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000385507222 1297583467 /nfs/dbraw/zinc/58/34/67/1297583467.db2.gz MABIFVZSMULVAJ-GFCCVEGCSA-N 2 1 327.291 3.043 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513729 1298239261 /nfs/dbraw/zinc/23/92/61/1298239261.db2.gz PEQAOCLLSYRKAQ-CRAIPNDOSA-N 2 1 325.481 3.477 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000708513729 1298239268 /nfs/dbraw/zinc/23/92/68/1298239268.db2.gz PEQAOCLLSYRKAQ-CRAIPNDOSA-N 2 1 325.481 3.477 20 30 EGEDMP N#CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749516429 1299229832 /nfs/dbraw/zinc/22/98/32/1299229832.db2.gz VSAITLJODLWPAV-FXAWDEMLSA-N 2 1 325.456 3.038 20 30 EGEDMP N#CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749516429 1299229841 /nfs/dbraw/zinc/22/98/41/1299229841.db2.gz VSAITLJODLWPAV-FXAWDEMLSA-N 2 1 325.456 3.038 20 30 EGEDMP N#CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749516429 1299229852 /nfs/dbraw/zinc/22/98/52/1299229852.db2.gz VSAITLJODLWPAV-FXAWDEMLSA-N 2 1 325.456 3.038 20 30 EGEDMP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(C#N)cc1 ZINC000774186067 1303784733 /nfs/dbraw/zinc/78/47/33/1303784733.db2.gz KHVPSKUNNLVVJV-WOJBJXKFSA-N 2 1 327.472 3.242 20 30 EGEDMP CC(C)CC[N@@H+](CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775677385 1304013460 /nfs/dbraw/zinc/01/34/60/1304013460.db2.gz NGNVSXKYYJULAB-UHFFFAOYSA-N 2 1 328.504 3.200 20 30 EGEDMP CC(C)[N@H+]1CC[C@H](C[NH+]=C(NCCc2ccccc2)NC(C)(C)C)C1 ZINC000912506574 1318894068 /nfs/dbraw/zinc/89/40/68/1318894068.db2.gz QJPLUWPHQFHNHK-LJQANCHMSA-N 2 1 344.547 3.293 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000819025074 1319617438 /nfs/dbraw/zinc/61/74/38/1319617438.db2.gz XNJDIEPGKLHYJF-KRWDZBQOSA-N 2 1 342.405 3.369 20 30 EGEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)cc2)CC1 ZINC000924693289 1323115686 /nfs/dbraw/zinc/11/56/86/1323115686.db2.gz XFYIGOJHVJAKRZ-SFHVURJKSA-N 2 1 342.531 3.242 20 30 EGEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001027647333 1328025549 /nfs/dbraw/zinc/02/55/49/1328025549.db2.gz NWSCVOBKDLOWBY-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001027647333 1328025558 /nfs/dbraw/zinc/02/55/58/1328025558.db2.gz NWSCVOBKDLOWBY-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001027647333 1328025562 /nfs/dbraw/zinc/02/55/62/1328025562.db2.gz NWSCVOBKDLOWBY-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942203682 1331877244 /nfs/dbraw/zinc/87/72/44/1331877244.db2.gz KAZARWSRTDZEKL-DNVCBOLYSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801394 1333265208 /nfs/dbraw/zinc/26/52/08/1333265208.db2.gz MVYXXIMNDQVGQA-MAUKXSAKSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801394 1333265209 /nfs/dbraw/zinc/26/52/09/1333265209.db2.gz MVYXXIMNDQVGQA-MAUKXSAKSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947799729 1333265403 /nfs/dbraw/zinc/26/54/03/1333265403.db2.gz CIXREMZJUOOBOA-FXAWDEMLSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791557 1338728386 /nfs/dbraw/zinc/72/83/86/1338728386.db2.gz TYALPWTZXDWOFQ-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699268 1341966667 /nfs/dbraw/zinc/96/66/67/1341966667.db2.gz LTYHCKHXECFBOR-KRWDZBQOSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034366588 1342435931 /nfs/dbraw/zinc/43/59/31/1342435931.db2.gz BQLZPWDDEVFRDK-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034366588 1342435933 /nfs/dbraw/zinc/43/59/33/1342435933.db2.gz BQLZPWDDEVFRDK-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034366588 1342435934 /nfs/dbraw/zinc/43/59/34/1342435934.db2.gz BQLZPWDDEVFRDK-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034479155 1342536740 /nfs/dbraw/zinc/53/67/40/1342536740.db2.gz SUHCMGBSTCQTQW-HXUWFJFHSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035193808 1343007834 /nfs/dbraw/zinc/00/78/34/1343007834.db2.gz PEQDPCGUVZVFDD-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193808 1343007836 /nfs/dbraw/zinc/00/78/36/1343007836.db2.gz PEQDPCGUVZVFDD-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035193808 1343007842 /nfs/dbraw/zinc/00/78/42/1343007842.db2.gz PEQDPCGUVZVFDD-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC001035233975 1343056523 /nfs/dbraw/zinc/05/65/23/1343056523.db2.gz QVOSPKCYFZGAKF-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039241579 1344967283 /nfs/dbraw/zinc/96/72/83/1344967283.db2.gz DJHCXSCKLXAHCR-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1C(C)C ZINC001039301446 1345003526 /nfs/dbraw/zinc/00/35/26/1345003526.db2.gz IUDOYBGSFPUAHB-AYHJJNSGSA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039448116 1345073395 /nfs/dbraw/zinc/07/33/95/1345073395.db2.gz WVYCLQQTKGAFFP-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001040207720 1345375889 /nfs/dbraw/zinc/37/58/89/1345375889.db2.gz GYRLUADTMLBOKB-NRFANRHFSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945154 1346780446 /nfs/dbraw/zinc/78/04/46/1346780446.db2.gz NKGUJBJJVNQIAA-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945154 1346780449 /nfs/dbraw/zinc/78/04/49/1346780449.db2.gz NKGUJBJJVNQIAA-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945154 1346780452 /nfs/dbraw/zinc/78/04/52/1346780452.db2.gz NKGUJBJJVNQIAA-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001045985726 1346826786 /nfs/dbraw/zinc/82/67/86/1346826786.db2.gz ATGZUOQRQMBQSE-OAQYLSRUSA-N 2 1 347.547 3.143 20 30 EGEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583258 1347605450 /nfs/dbraw/zinc/60/54/50/1347605450.db2.gz IGKOWUNDPPSXFT-OMZCGLGVSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049526525 1347893020 /nfs/dbraw/zinc/89/30/20/1347893020.db2.gz VMUSJKRRDCYDGB-HSALFYBXSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526525 1347893022 /nfs/dbraw/zinc/89/30/22/1347893022.db2.gz VMUSJKRRDCYDGB-HSALFYBXSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526525 1347893024 /nfs/dbraw/zinc/89/30/24/1347893024.db2.gz VMUSJKRRDCYDGB-HSALFYBXSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049563514 1347911744 /nfs/dbraw/zinc/91/17/44/1347911744.db2.gz CLHJXDDBCPHWOR-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563514 1347911748 /nfs/dbraw/zinc/91/17/48/1347911748.db2.gz CLHJXDDBCPHWOR-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563514 1347911751 /nfs/dbraw/zinc/91/17/51/1347911751.db2.gz CLHJXDDBCPHWOR-XUVXKRRUSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049918810 1348112147 /nfs/dbraw/zinc/11/21/47/1348112147.db2.gz MRGKCGNIOGPELK-PMACEKPBSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105612 1348943516 /nfs/dbraw/zinc/94/35/16/1348943516.db2.gz QADLTHVHRUOUFP-PMACEKPBSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141748 1349153543 /nfs/dbraw/zinc/15/35/43/1349153543.db2.gz ORDPGCSHGPTUQF-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141748 1349153544 /nfs/dbraw/zinc/15/35/44/1349153544.db2.gz ORDPGCSHGPTUQF-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141748 1349153546 /nfs/dbraw/zinc/15/35/46/1349153546.db2.gz ORDPGCSHGPTUQF-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001183254201 1387285786 /nfs/dbraw/zinc/28/57/86/1387285786.db2.gz AEJDIISXCYAMBB-RTBURBONSA-N 2 1 337.552 3.410 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696822 1359597042 /nfs/dbraw/zinc/59/70/42/1359597042.db2.gz OOAIWUXMVFYKHH-GBESFXJTSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696822 1359597047 /nfs/dbraw/zinc/59/70/47/1359597047.db2.gz OOAIWUXMVFYKHH-GBESFXJTSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696822 1359597051 /nfs/dbraw/zinc/59/70/51/1359597051.db2.gz OOAIWUXMVFYKHH-GBESFXJTSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402062 1360401193 /nfs/dbraw/zinc/40/11/93/1360401193.db2.gz AKEJRGOWNGIHGA-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402062 1360401196 /nfs/dbraw/zinc/40/11/96/1360401196.db2.gz AKEJRGOWNGIHGA-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089402062 1360401197 /nfs/dbraw/zinc/40/11/97/1360401197.db2.gz AKEJRGOWNGIHGA-RTBURBONSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407331 1360406125 /nfs/dbraw/zinc/40/61/25/1360406125.db2.gz ZCKJDIMAASZIGV-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407331 1360406127 /nfs/dbraw/zinc/40/61/27/1360406127.db2.gz ZCKJDIMAASZIGV-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407331 1360406128 /nfs/dbraw/zinc/40/61/28/1360406128.db2.gz ZCKJDIMAASZIGV-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419828 1360413788 /nfs/dbraw/zinc/41/37/88/1360413788.db2.gz IOMOMKUBCBWPEI-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419828 1360413791 /nfs/dbraw/zinc/41/37/91/1360413791.db2.gz IOMOMKUBCBWPEI-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419828 1360413792 /nfs/dbraw/zinc/41/37/92/1360413792.db2.gz IOMOMKUBCBWPEI-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089645941 1360558420 /nfs/dbraw/zinc/55/84/20/1360558420.db2.gz DSUZALCTYQFUSW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089645941 1360558422 /nfs/dbraw/zinc/55/84/22/1360558422.db2.gz DSUZALCTYQFUSW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089645941 1360558423 /nfs/dbraw/zinc/55/84/23/1360558423.db2.gz DSUZALCTYQFUSW-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001089671825 1360581706 /nfs/dbraw/zinc/58/17/06/1360581706.db2.gz WNRQSHDKVRSNFO-GOSISDBHSA-N 2 1 340.471 3.131 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095487916 1362155924 /nfs/dbraw/zinc/15/59/24/1362155924.db2.gz QDPNOTBIFZZWGS-IKGGRYGDSA-N 2 1 347.528 3.111 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1C[NH+](C)C)C2 ZINC001095487916 1362155928 /nfs/dbraw/zinc/15/59/28/1362155928.db2.gz QDPNOTBIFZZWGS-IKGGRYGDSA-N 2 1 347.528 3.111 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069931 1363607011 /nfs/dbraw/zinc/60/70/11/1363607011.db2.gz PASMJYTWSCAFQQ-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001099116656 1363632688 /nfs/dbraw/zinc/63/26/88/1363632688.db2.gz UNKVXMYUUSUKHC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116656 1363632690 /nfs/dbraw/zinc/63/26/90/1363632690.db2.gz UNKVXMYUUSUKHC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001099116656 1363632694 /nfs/dbraw/zinc/63/26/94/1363632694.db2.gz UNKVXMYUUSUKHC-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348670 1363764475 /nfs/dbraw/zinc/76/44/75/1363764475.db2.gz JXKHQOBMTLYARQ-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001100332360 1364081708 /nfs/dbraw/zinc/08/17/08/1364081708.db2.gz BLTJKUBMBWSIGP-JLAWEPINSA-N 2 1 347.547 3.092 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100418830 1364108321 /nfs/dbraw/zinc/10/83/21/1364108321.db2.gz IUDSWJAZQHPUGO-CTWPCTMYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100859760 1364295938 /nfs/dbraw/zinc/29/59/38/1364295938.db2.gz AXQMYTIAAWPNKU-LYBXBRPPSA-N 2 1 343.515 3.130 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348858 1364520738 /nfs/dbraw/zinc/52/07/38/1364520738.db2.gz LIWLZNJAPPUFOK-CTNGQTDRSA-N 2 1 349.563 3.079 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001101521797 1364596350 /nfs/dbraw/zinc/59/63/50/1364596350.db2.gz BIPMJTXQJKAVMU-MJGOQNOKSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001101582172 1364634317 /nfs/dbraw/zinc/63/43/17/1364634317.db2.gz BXLFHHXBAOYPSQ-OALUTQOASA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595312 1364645660 /nfs/dbraw/zinc/64/56/60/1364645660.db2.gz BFEMKZXHHJZDAP-UHFFFAOYSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396902 1365534838 /nfs/dbraw/zinc/53/48/38/1365534838.db2.gz PGAYBKLBQPGJMS-UYAOXDASSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103439446 1365561767 /nfs/dbraw/zinc/56/17/67/1365561767.db2.gz AVHPNGZMRQNOTD-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103439446 1365561771 /nfs/dbraw/zinc/56/17/71/1365561771.db2.gz AVHPNGZMRQNOTD-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103439446 1365561774 /nfs/dbraw/zinc/56/17/74/1365561774.db2.gz AVHPNGZMRQNOTD-QZTJIDSGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495463 1365596868 /nfs/dbraw/zinc/59/68/68/1365596868.db2.gz DIEZXYGCJIXUKE-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646641 1365699988 /nfs/dbraw/zinc/69/99/88/1365699988.db2.gz CSMATAFNHNKHEM-RTBURBONSA-N 2 1 349.563 3.127 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185683014 1387777175 /nfs/dbraw/zinc/77/71/75/1387777175.db2.gz VRSFABWPCSHTTH-IEBWSBKVSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105544921 1366522198 /nfs/dbraw/zinc/52/21/98/1366522198.db2.gz YZMXBIJAZVHFHU-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)CCC1 ZINC001105563134 1366532065 /nfs/dbraw/zinc/53/20/65/1366532065.db2.gz FBGWXRWKPLABDK-SFHVURJKSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105571941 1366538604 /nfs/dbraw/zinc/53/86/04/1366538604.db2.gz CGYZUJLXBBGGAA-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578917 1366542702 /nfs/dbraw/zinc/54/27/02/1366542702.db2.gz IANGBAMYEDOCJB-IBGZPJMESA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107630086 1367083336 /nfs/dbraw/zinc/08/33/36/1367083336.db2.gz ZFQHEYHRLNYVNF-QKNQBKEWSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107630086 1367083339 /nfs/dbraw/zinc/08/33/39/1367083339.db2.gz ZFQHEYHRLNYVNF-QKNQBKEWSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107630086 1367083344 /nfs/dbraw/zinc/08/33/44/1367083344.db2.gz ZFQHEYHRLNYVNF-QKNQBKEWSA-N 2 1 349.563 3.269 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190484245 1367274488 /nfs/dbraw/zinc/27/44/88/1367274488.db2.gz VOLYREPTGHHXMS-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190484245 1367274494 /nfs/dbraw/zinc/27/44/94/1367274494.db2.gz VOLYREPTGHHXMS-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190484245 1367274498 /nfs/dbraw/zinc/27/44/98/1367274498.db2.gz VOLYREPTGHHXMS-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190657089 1367320246 /nfs/dbraw/zinc/32/02/46/1367320246.db2.gz ZACXSBPRPNKXOG-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190657089 1367320250 /nfs/dbraw/zinc/32/02/50/1367320250.db2.gz ZACXSBPRPNKXOG-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190657089 1367320256 /nfs/dbraw/zinc/32/02/56/1367320256.db2.gz ZACXSBPRPNKXOG-VQTJNVASSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800499 1367329110 /nfs/dbraw/zinc/32/91/10/1367329110.db2.gz CFWVRDQWRCMKQW-SQNIBIBYSA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)C2 ZINC001109800499 1367329115 /nfs/dbraw/zinc/32/91/15/1367329115.db2.gz CFWVRDQWRCMKQW-SQNIBIBYSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001197125929 1368750235 /nfs/dbraw/zinc/75/02/35/1368750235.db2.gz QKNBFCHCBVQMEC-KRWDZBQOSA-N 2 1 344.503 3.110 20 30 EGEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001112540463 1368920552 /nfs/dbraw/zinc/92/05/52/1368920552.db2.gz YHRRKQCRKVCDMF-ZJOUEHCJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113402871 1369400832 /nfs/dbraw/zinc/40/08/32/1369400832.db2.gz IVAPLIJIDFLRAY-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113402871 1369400833 /nfs/dbraw/zinc/40/08/33/1369400833.db2.gz IVAPLIJIDFLRAY-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001113682735 1369564316 /nfs/dbraw/zinc/56/43/16/1369564316.db2.gz PYSWTGPMHBWDSA-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001201762868 1369618523 /nfs/dbraw/zinc/61/85/23/1369618523.db2.gz YBIAXVPYSIUPJD-WOJBJXKFSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001202862843 1369910867 /nfs/dbraw/zinc/91/08/67/1369910867.db2.gz HEQYLHANBGXMEU-MRXNPFEDSA-N 2 1 334.508 3.139 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203102320 1369984250 /nfs/dbraw/zinc/98/42/50/1369984250.db2.gz HYGMTLYLGOYGBL-ROUUACIJSA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001114921604 1370150748 /nfs/dbraw/zinc/15/07/48/1370150748.db2.gz PWTQUEJUJDWBCA-ZRNYENFQSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205297189 1370711073 /nfs/dbraw/zinc/71/10/73/1370711073.db2.gz OKBZQXSWTXBTDJ-LJQANCHMSA-N 2 1 347.547 3.045 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2)c1 ZINC001205558418 1370791505 /nfs/dbraw/zinc/79/15/05/1370791505.db2.gz FAHRJSODPGGDHG-FQEVSTJZSA-N 2 1 338.430 3.273 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001206857849 1371191888 /nfs/dbraw/zinc/19/18/88/1371191888.db2.gz SZKPKMAUZBDTFD-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP CCCCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120130377 1371492110 /nfs/dbraw/zinc/49/21/10/1371492110.db2.gz YKWVZOQMVYTURW-SFHVURJKSA-N 2 1 337.552 3.317 20 30 EGEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)CC1 ZINC001208108221 1371596646 /nfs/dbraw/zinc/59/66/46/1371596646.db2.gz BLONOPATMZELGC-IBGZPJMESA-N 2 1 327.472 3.133 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208421975 1371761980 /nfs/dbraw/zinc/76/19/80/1371761980.db2.gz ALDIWCLLQSCHRD-SJLPKXTDSA-N 2 1 349.519 3.362 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001208421975 1371761983 /nfs/dbraw/zinc/76/19/83/1371761983.db2.gz ALDIWCLLQSCHRD-SJLPKXTDSA-N 2 1 349.519 3.362 20 30 EGEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001208602363 1371836458 /nfs/dbraw/zinc/83/64/58/1371836458.db2.gz CZIZXAVGTHTVQK-HXUWFJFHSA-N 2 1 327.472 3.133 20 30 EGEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC(Oc3ccc(C#N)c(Cl)c3)CC2)C1 ZINC001208615622 1371840906 /nfs/dbraw/zinc/84/09/06/1371840906.db2.gz IJUWKEFEHSZDRM-OAHLLOKOSA-N 2 1 347.890 3.397 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133900 1371862589 /nfs/dbraw/zinc/86/25/89/1371862589.db2.gz KPLNHMSSFQVIHK-SGPNKGFISA-N 2 1 349.563 3.314 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121133857 1371863267 /nfs/dbraw/zinc/86/32/67/1371863267.db2.gz ISSYIKOKVUVWEN-SGPNKGFISA-N 2 1 347.547 3.090 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001121402456 1371964118 /nfs/dbraw/zinc/96/41/18/1371964118.db2.gz OJBOKOUNHUDUNA-UHFFFAOYSA-N 2 1 346.519 3.179 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209427245 1372103574 /nfs/dbraw/zinc/10/35/74/1372103574.db2.gz LTWUSESVWBEMLM-NHCUHLMSSA-N 2 1 343.515 3.351 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209427245 1372103578 /nfs/dbraw/zinc/10/35/78/1372103578.db2.gz LTWUSESVWBEMLM-NHCUHLMSSA-N 2 1 343.515 3.351 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001209427245 1372103580 /nfs/dbraw/zinc/10/35/80/1372103580.db2.gz LTWUSESVWBEMLM-NHCUHLMSSA-N 2 1 343.515 3.351 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209487691 1372119267 /nfs/dbraw/zinc/11/92/67/1372119267.db2.gz CJGMKAZUTQMDBW-IEBWSBKVSA-N 2 1 346.519 3.155 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209487691 1372119270 /nfs/dbraw/zinc/11/92/70/1372119270.db2.gz CJGMKAZUTQMDBW-IEBWSBKVSA-N 2 1 346.519 3.155 20 30 EGEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001121919361 1372122957 /nfs/dbraw/zinc/12/29/57/1372122957.db2.gz CKMRTPLIHYQGRZ-RLLQIKCJSA-N 2 1 343.515 3.182 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001210584652 1372384865 /nfs/dbraw/zinc/38/48/65/1372384865.db2.gz JOHIYEGAXQBYLS-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349936 1372538620 /nfs/dbraw/zinc/53/86/20/1372538620.db2.gz KUJPQDOAADJPHN-RTBURBONSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215567703 1373213260 /nfs/dbraw/zinc/21/32/60/1373213260.db2.gz FXMRFLREESZWJL-QZTJIDSGSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001221552951 1373780543 /nfs/dbraw/zinc/78/05/43/1373780543.db2.gz LLFYTMOUWIYQIU-GUDVDZBRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCCCCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001223164314 1375033156 /nfs/dbraw/zinc/03/31/56/1375033156.db2.gz JWVCDFMOCBQJRC-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001132140955 1375166922 /nfs/dbraw/zinc/16/69/22/1375166922.db2.gz NAWYHXRWCVLECQ-NVXWUHKLSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132365370 1375329987 /nfs/dbraw/zinc/32/99/87/1375329987.db2.gz JNVJFZRHUNFRDG-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365370 1375330000 /nfs/dbraw/zinc/33/00/00/1375330000.db2.gz JNVJFZRHUNFRDG-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365370 1375330013 /nfs/dbraw/zinc/33/00/13/1375330013.db2.gz JNVJFZRHUNFRDG-MOPGFXCFSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132543167 1375451004 /nfs/dbraw/zinc/45/10/04/1375451004.db2.gz VWXHMGODQAZHNG-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[C@H]1C ZINC001132543167 1375451005 /nfs/dbraw/zinc/45/10/05/1375451005.db2.gz VWXHMGODQAZHNG-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132543167 1375451006 /nfs/dbraw/zinc/45/10/06/1375451006.db2.gz VWXHMGODQAZHNG-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[C@H]1C ZINC001132543167 1375451007 /nfs/dbraw/zinc/45/10/07/1375451007.db2.gz VWXHMGODQAZHNG-QUCCMNQESA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132548526 1375455487 /nfs/dbraw/zinc/45/54/87/1375455487.db2.gz FBJBJVIOMYMNCA-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228618234 1375619098 /nfs/dbraw/zinc/61/90/98/1375619098.db2.gz HGXCVLWIDPNOMG-RCCFBDPRSA-N 2 1 335.536 3.090 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133147241 1375807766 /nfs/dbraw/zinc/80/77/66/1375807766.db2.gz QQJLGXUMAGAUPF-ZWKOTPCHSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001133224433 1375853104 /nfs/dbraw/zinc/85/31/04/1375853104.db2.gz BUILYDZVUZLPJT-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C[N@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043610 1376560342 /nfs/dbraw/zinc/56/03/42/1376560342.db2.gz KVLYVACUZXJMGF-LJQANCHMSA-N 2 1 338.455 3.356 20 30 EGEDMP C[N@@H+](Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233043610 1376560344 /nfs/dbraw/zinc/56/03/44/1376560344.db2.gz KVLYVACUZXJMGF-LJQANCHMSA-N 2 1 338.455 3.356 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001233081272 1376567969 /nfs/dbraw/zinc/56/79/69/1376567969.db2.gz BOGYZERVMVJHJZ-YADHBBJMSA-N 2 1 346.478 3.216 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001233081272 1376567973 /nfs/dbraw/zinc/56/79/73/1376567973.db2.gz BOGYZERVMVJHJZ-YADHBBJMSA-N 2 1 346.478 3.216 20 30 EGEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001233081272 1376567977 /nfs/dbraw/zinc/56/79/77/1376567977.db2.gz BOGYZERVMVJHJZ-YADHBBJMSA-N 2 1 346.478 3.216 20 30 EGEDMP Cc1cc(C#N)ccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001233081272 1376567980 /nfs/dbraw/zinc/56/79/80/1376567980.db2.gz BOGYZERVMVJHJZ-YADHBBJMSA-N 2 1 346.478 3.216 20 30 EGEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2[C@H]3C[NH2+]C[C@H]3C[C@]2(C(=O)OC)C1 ZINC001235338784 1376867920 /nfs/dbraw/zinc/86/79/20/1376867920.db2.gz RQBQRTVEWNICIP-HDAAZOAOSA-N 2 1 348.531 3.234 20 30 EGEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235632599 1376881293 /nfs/dbraw/zinc/88/12/93/1376881293.db2.gz LYWRYJBVFZCYKE-VQTJNVASSA-N 2 1 336.520 3.125 20 30 EGEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235632599 1376881295 /nfs/dbraw/zinc/88/12/95/1376881295.db2.gz LYWRYJBVFZCYKE-VQTJNVASSA-N 2 1 336.520 3.125 20 30 EGEDMP C=CCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476615 1377110610 /nfs/dbraw/zinc/11/06/10/1377110610.db2.gz LJGKZLNBBUBUDJ-QZTJIDSGSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CC[N@H+](Cc1cnc(N2CCN(C)CC2)s1)C1CCCCC1 ZINC001139326326 1377868696 /nfs/dbraw/zinc/86/86/96/1377868696.db2.gz OUCIRDWYAOIORT-UHFFFAOYSA-N 2 1 334.533 3.216 20 30 EGEDMP C=CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C1CCCCC1 ZINC001139326326 1377868700 /nfs/dbraw/zinc/86/87/00/1377868700.db2.gz OUCIRDWYAOIORT-UHFFFAOYSA-N 2 1 334.533 3.216 20 30 EGEDMP C=CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)C1CCCCC1 ZINC001139326326 1377868704 /nfs/dbraw/zinc/86/87/04/1377868704.db2.gz OUCIRDWYAOIORT-UHFFFAOYSA-N 2 1 334.533 3.216 20 30 EGEDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139406077 1377879749 /nfs/dbraw/zinc/87/97/49/1377879749.db2.gz LRDPAYDEMLPQTC-OYRHEFFESA-N 2 1 346.478 3.394 20 30 EGEDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139406077 1377879754 /nfs/dbraw/zinc/87/97/54/1377879754.db2.gz LRDPAYDEMLPQTC-OYRHEFFESA-N 2 1 346.478 3.394 20 30 EGEDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139406077 1377879758 /nfs/dbraw/zinc/87/97/58/1377879758.db2.gz LRDPAYDEMLPQTC-OYRHEFFESA-N 2 1 346.478 3.394 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142917030 1378508271 /nfs/dbraw/zinc/50/82/71/1378508271.db2.gz POVWCMRQRFMHBY-UHFFFAOYSA-N 2 1 345.450 3.482 20 30 EGEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](CCC)CCC)C2)C1 ZINC001148590341 1379220045 /nfs/dbraw/zinc/22/00/45/1379220045.db2.gz CHVLXBJHWFGJPA-UHFFFAOYSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001148811576 1379273308 /nfs/dbraw/zinc/27/33/08/1379273308.db2.gz DPZDOQGGGUYHKL-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154480932 1380285754 /nfs/dbraw/zinc/28/57/54/1380285754.db2.gz HJFOUDIGGBYJDH-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158083106 1381123444 /nfs/dbraw/zinc/12/34/44/1381123444.db2.gz SGYDAJUXNLLJTM-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158083106 1381123446 /nfs/dbraw/zinc/12/34/46/1381123446.db2.gz SGYDAJUXNLLJTM-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158083106 1381123449 /nfs/dbraw/zinc/12/34/49/1381123449.db2.gz SGYDAJUXNLLJTM-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001160360624 1382081898 /nfs/dbraw/zinc/08/18/98/1382081898.db2.gz SUGSIQSMESWIHO-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001160360624 1382081902 /nfs/dbraw/zinc/08/19/02/1382081902.db2.gz SUGSIQSMESWIHO-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001160360624 1382081904 /nfs/dbraw/zinc/08/19/04/1382081904.db2.gz SUGSIQSMESWIHO-HXUWFJFHSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947080 1382566130 /nfs/dbraw/zinc/56/61/30/1382566130.db2.gz WWHJWBOLVQKKNO-IBGZPJMESA-N 2 1 347.547 3.356 20 30 EGEDMP CC(C)[C@H](C#N)c1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1 ZINC001164212924 1383166538 /nfs/dbraw/zinc/16/65/38/1383166538.db2.gz KLGUSMXNJNXMMH-IBGZPJMESA-N 2 1 328.504 3.388 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472321 1383300188 /nfs/dbraw/zinc/30/01/88/1383300188.db2.gz KUUMMXWVZYATIY-RBUKOAKNSA-N 2 1 349.563 3.195 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793461 1383478185 /nfs/dbraw/zinc/47/81/85/1383478185.db2.gz PMESWQGFHDGXCR-OALUTQOASA-N 2 1 349.563 3.339 20 30 EGEDMP N#Cc1ccccc1OCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973086 1383782377 /nfs/dbraw/zinc/78/23/77/1383782377.db2.gz GELZOJNVOSOPTN-IHWFROFDSA-N 2 1 339.483 3.322 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)[C@@H]2CC ZINC001169133565 1384111901 /nfs/dbraw/zinc/11/19/01/1384111901.db2.gz HMZDAAYSBVWOKS-CWVBCOCOSA-N 2 1 345.531 3.033 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)[C@@H]2CC ZINC001169133565 1384111903 /nfs/dbraw/zinc/11/19/03/1384111903.db2.gz HMZDAAYSBVWOKS-CWVBCOCOSA-N 2 1 345.531 3.033 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@@H]2CC ZINC001169133565 1384111905 /nfs/dbraw/zinc/11/19/05/1384111905.db2.gz HMZDAAYSBVWOKS-CWVBCOCOSA-N 2 1 345.531 3.033 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171821118 1384651097 /nfs/dbraw/zinc/65/10/97/1384651097.db2.gz KMAOPKPCMZJQBP-QGZVFWFLSA-N 2 1 336.524 3.427 20 30 EGEDMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(C1CCC(C)(C#N)CC1)C2 ZINC001173594864 1384983733 /nfs/dbraw/zinc/98/37/33/1384983733.db2.gz NDRGCSOHYYXWHO-UHFFFAOYSA-N 2 1 329.492 3.011 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177021458 1385775969 /nfs/dbraw/zinc/77/59/69/1385775969.db2.gz XHLPLBVWUGLATE-LJQANCHMSA-N 2 1 333.520 3.356 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001177345217 1385922453 /nfs/dbraw/zinc/92/24/53/1385922453.db2.gz UXGFXAMCRCPNBL-UHFFFAOYSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001177356750 1385927609 /nfs/dbraw/zinc/92/76/09/1385927609.db2.gz HYVVLNSNJJVKLB-HXUWFJFHSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CCC[C@H]1C ZINC001177415906 1385948531 /nfs/dbraw/zinc/94/85/31/1385948531.db2.gz ODMXRINSCJGJAT-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177416114 1385949363 /nfs/dbraw/zinc/94/93/63/1385949363.db2.gz UZLTZYGCASFPRA-ICSRJNTNSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177416131 1385949736 /nfs/dbraw/zinc/94/97/36/1385949736.db2.gz VGJIYLUXRCINNW-UYAOXDASSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178689146 1386278627 /nfs/dbraw/zinc/27/86/27/1386278627.db2.gz UVQPVNZBZMUUTR-LJQANCHMSA-N 2 1 337.552 3.197 20 30 EGEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001331595770 1389818761 /nfs/dbraw/zinc/81/87/61/1389818761.db2.gz IBJDMIOZLHYDDG-ONTIZHBOSA-N 2 1 337.511 3.042 20 30 EGEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC001331595770 1389818767 /nfs/dbraw/zinc/81/87/67/1389818767.db2.gz IBJDMIOZLHYDDG-ONTIZHBOSA-N 2 1 337.511 3.042 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752784220 1440210322 /nfs/dbraw/zinc/21/03/22/1440210322.db2.gz XNZAMIUMPDKIOZ-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001752837294 1440228528 /nfs/dbraw/zinc/22/85/28/1440228528.db2.gz RVCDENURIVVDME-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001753364199 1440384405 /nfs/dbraw/zinc/38/44/05/1440384405.db2.gz SPKQFKQAJPVSGD-YSIASYRMSA-N 2 1 349.563 3.242 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001753364199 1440384406 /nfs/dbraw/zinc/38/44/06/1440384406.db2.gz SPKQFKQAJPVSGD-YSIASYRMSA-N 2 1 349.563 3.242 20 30 EGEDMP C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001753364199 1440384407 /nfs/dbraw/zinc/38/44/07/1440384407.db2.gz SPKQFKQAJPVSGD-YSIASYRMSA-N 2 1 349.563 3.242 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001753443516 1440402735 /nfs/dbraw/zinc/40/27/35/1440402735.db2.gz XVOOQRMAQLWXLW-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001753443516 1440402736 /nfs/dbraw/zinc/40/27/36/1440402736.db2.gz XVOOQRMAQLWXLW-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001753443516 1440402737 /nfs/dbraw/zinc/40/27/37/1440402737.db2.gz XVOOQRMAQLWXLW-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC001753667086 1440460667 /nfs/dbraw/zinc/46/06/67/1440460667.db2.gz RAIHXJQYPUDHPQ-UHFFFAOYSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001755101497 1440752699 /nfs/dbraw/zinc/75/26/99/1440752699.db2.gz KXNJWLBJBIDZHI-IAGOWNOFSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001755353937 1440828723 /nfs/dbraw/zinc/82/87/23/1440828723.db2.gz BRXMVZOPUMJRIU-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001755532520 1440868052 /nfs/dbraw/zinc/86/80/52/1440868052.db2.gz QLAQXSNEHQDHSP-HXUWFJFHSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001755532520 1440868053 /nfs/dbraw/zinc/86/80/53/1440868053.db2.gz QLAQXSNEHQDHSP-HXUWFJFHSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001755532520 1440868054 /nfs/dbraw/zinc/86/80/54/1440868054.db2.gz QLAQXSNEHQDHSP-HXUWFJFHSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001755720460 1440907012 /nfs/dbraw/zinc/90/70/12/1440907012.db2.gz HWOSHGQXXWSJNZ-IEBWSBKVSA-N 2 1 335.536 3.042 20 30 EGEDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C#N ZINC000174346428 533668713 /nfs/dbraw/zinc/66/87/13/533668713.db2.gz DOVPVGSTKIVLOK-FQEVSTJZSA-N 2 1 349.478 3.221 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000274810018 267290124 /nfs/dbraw/zinc/29/01/24/267290124.db2.gz HOLDGLYGICWUBC-ZPMCFJSWSA-N 2 1 349.478 3.092 20 30 EGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000539086294 314295549 /nfs/dbraw/zinc/29/55/49/314295549.db2.gz GFYTUAWUOPRKSK-PGRDOPGGSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000539086294 314295551 /nfs/dbraw/zinc/29/55/51/314295551.db2.gz GFYTUAWUOPRKSK-PGRDOPGGSA-N 2 1 349.478 3.437 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000089152520 454124837 /nfs/dbraw/zinc/12/48/37/454124837.db2.gz PZANKPOGDQQICD-UHFFFAOYSA-N 2 1 335.536 3.044 20 30 EGEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000119795406 454220891 /nfs/dbraw/zinc/22/08/91/454220891.db2.gz MVDPYRMTEOCRMS-IYBDPMFKSA-N 2 1 345.462 3.019 20 30 EGEDMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000090003635 454260439 /nfs/dbraw/zinc/26/04/39/454260439.db2.gz LXABKEJTNMFNMV-QGZVFWFLSA-N 2 1 327.859 3.380 20 30 EGEDMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000090003635 454260442 /nfs/dbraw/zinc/26/04/42/454260442.db2.gz LXABKEJTNMFNMV-QGZVFWFLSA-N 2 1 327.859 3.380 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCCCOC)c2)CC1 ZINC000106245333 454688077 /nfs/dbraw/zinc/68/80/77/454688077.db2.gz NLMZXTGFCSBALZ-UHFFFAOYSA-N 2 1 332.488 3.232 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000152975003 454748787 /nfs/dbraw/zinc/74/87/87/454748787.db2.gz NVVQEOVOCGZFOS-NRFANRHFSA-N 2 1 327.516 3.281 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000152975003 454748791 /nfs/dbraw/zinc/74/87/91/454748791.db2.gz NVVQEOVOCGZFOS-NRFANRHFSA-N 2 1 327.516 3.281 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000176962450 454804034 /nfs/dbraw/zinc/80/40/34/454804034.db2.gz MUGUGRUJZHWKMN-QGZVFWFLSA-N 2 1 325.481 3.274 20 30 EGEDMP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)s1 ZINC000176962450 454804037 /nfs/dbraw/zinc/80/40/37/454804037.db2.gz MUGUGRUJZHWKMN-QGZVFWFLSA-N 2 1 325.481 3.274 20 30 EGEDMP N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000156480473 455123551 /nfs/dbraw/zinc/12/35/51/455123551.db2.gz LJLXRJJVZNCJGS-LJQANCHMSA-N 2 1 327.472 3.277 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+]CC(C)(C)CCC#N)[C@@H](c2ccccc2)C1 ZINC000174264555 455374699 /nfs/dbraw/zinc/37/46/99/455374699.db2.gz DAGYYKWEVKPDBD-HXUWFJFHSA-N 2 1 342.531 3.285 20 30 EGEDMP N#Cc1cccc(OCCCN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247046065 455551310 /nfs/dbraw/zinc/55/13/10/455551310.db2.gz ZCCCQEPHLCMHJP-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247046065 455551313 /nfs/dbraw/zinc/55/13/13/455551313.db2.gz ZCCCQEPHLCMHJP-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247046065 455551316 /nfs/dbraw/zinc/55/13/16/455551316.db2.gz ZCCCQEPHLCMHJP-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247046065 455551320 /nfs/dbraw/zinc/55/13/20/455551320.db2.gz ZCCCQEPHLCMHJP-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247046065 455551322 /nfs/dbraw/zinc/55/13/22/455551322.db2.gz ZCCCQEPHLCMHJP-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247046065 455551326 /nfs/dbraw/zinc/55/13/26/455551326.db2.gz ZCCCQEPHLCMHJP-RXVVDRJESA-N 2 1 339.483 3.276 20 30 EGEDMP C[C@@H]([NH2+]CCOc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665474 455592398 /nfs/dbraw/zinc/59/23/98/455592398.db2.gz OYJOPXZMRUSGNP-AEFFLSMTSA-N 2 1 327.472 3.180 20 30 EGEDMP CCc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+](CC)CC)cc1 ZINC000292297368 455621250 /nfs/dbraw/zinc/62/12/50/455621250.db2.gz JZXQKRNDDYXPCF-GOSISDBHSA-N 2 1 339.487 3.454 20 30 EGEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000249601533 455764268 /nfs/dbraw/zinc/76/42/68/455764268.db2.gz OKGLUQWIOZYFRJ-CRAIPNDOSA-N 2 1 328.485 3.131 20 30 EGEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1C#N ZINC000249601533 455764276 /nfs/dbraw/zinc/76/42/76/455764276.db2.gz OKGLUQWIOZYFRJ-CRAIPNDOSA-N 2 1 328.485 3.131 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289230919 456118598 /nfs/dbraw/zinc/11/85/98/456118598.db2.gz DBRPZBFJMXAWHT-YOFSQIOKSA-N 2 1 326.488 3.093 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289230919 456118605 /nfs/dbraw/zinc/11/86/05/456118605.db2.gz DBRPZBFJMXAWHT-YOFSQIOKSA-N 2 1 326.488 3.093 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289230919 456118611 /nfs/dbraw/zinc/11/86/11/456118611.db2.gz DBRPZBFJMXAWHT-YOFSQIOKSA-N 2 1 326.488 3.093 20 30 EGEDMP C=CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000290454630 456333459 /nfs/dbraw/zinc/33/34/59/456333459.db2.gz MQHWPRNBCYGBON-UHFFFAOYSA-N 2 1 329.444 3.287 20 30 EGEDMP C=CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000290454630 456333463 /nfs/dbraw/zinc/33/34/63/456333463.db2.gz MQHWPRNBCYGBON-UHFFFAOYSA-N 2 1 329.444 3.287 20 30 EGEDMP C=CCC[C@@H](NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000340505223 456498605 /nfs/dbraw/zinc/49/86/05/456498605.db2.gz NJZTWLADWZCFRX-VQTJNVASSA-N 2 1 340.467 3.296 20 30 EGEDMP C=CCC[C@@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1ccco1 ZINC000340505223 456498609 /nfs/dbraw/zinc/49/86/09/456498609.db2.gz NJZTWLADWZCFRX-VQTJNVASSA-N 2 1 340.467 3.296 20 30 EGEDMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000344641761 456843400 /nfs/dbraw/zinc/84/34/00/456843400.db2.gz RMLLPGVPENBLCL-APWZRJJASA-N 2 1 337.471 3.036 20 30 EGEDMP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000363581933 457371342 /nfs/dbraw/zinc/37/13/42/457371342.db2.gz BRORXMJTACVJLJ-ROUUACIJSA-N 2 1 330.472 3.367 20 30 EGEDMP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000363581933 457371347 /nfs/dbraw/zinc/37/13/47/457371347.db2.gz BRORXMJTACVJLJ-ROUUACIJSA-N 2 1 330.472 3.367 20 30 EGEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000453373788 458525683 /nfs/dbraw/zinc/52/56/83/458525683.db2.gz WUXBCMDMHFHGTR-XNTOXWQXSA-N 2 1 326.484 3.220 20 30 EGEDMP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453373787 458526088 /nfs/dbraw/zinc/52/60/88/458526088.db2.gz WUXBCMDMHFHGTR-QSUVIHHLSA-N 2 1 326.484 3.220 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000496137960 459082503 /nfs/dbraw/zinc/08/25/03/459082503.db2.gz OSCITFGOFHXJKX-UHFFFAOYSA-N 2 1 349.519 3.016 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496929292 459375403 /nfs/dbraw/zinc/37/54/03/459375403.db2.gz SELGADPWXFQYHF-INIZCTEOSA-N 2 1 339.524 3.310 20 30 EGEDMP C[C@H]1C[C@@H](N(C)Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602478191 459957582 /nfs/dbraw/zinc/95/75/82/459957582.db2.gz ZXJZEEKEGJTNIO-UWJYYQICSA-N 2 1 334.467 3.438 20 30 EGEDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000611392618 460353759 /nfs/dbraw/zinc/35/37/59/460353759.db2.gz YZAIDWIIXCYCEU-FVJLSDCUSA-N 2 1 341.499 3.415 20 30 EGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629657236 460850775 /nfs/dbraw/zinc/85/07/75/460850775.db2.gz VCNILYLNMLJWJA-GOEBONIOSA-N 2 1 328.378 3.211 20 30 EGEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629657236 460850780 /nfs/dbraw/zinc/85/07/80/460850780.db2.gz VCNILYLNMLJWJA-GOEBONIOSA-N 2 1 328.378 3.211 20 30 EGEDMP C=CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000657295931 462025238 /nfs/dbraw/zinc/02/52/38/462025238.db2.gz ALRCSGWVZNLIHG-UHFFFAOYSA-N 2 1 339.487 3.130 20 30 EGEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])Nc1cccc(OC)c1)C(C)C ZINC000104171415 1293018199 /nfs/dbraw/zinc/01/81/99/1293018199.db2.gz SWQIRRXFCHYGMW-SFHVURJKSA-N 2 1 330.476 3.120 20 30 EGEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303863302 1296862647 /nfs/dbraw/zinc/86/26/47/1296862647.db2.gz AFEXHOXLZUAJNF-KRWDZBQOSA-N 2 1 336.483 3.477 20 30 EGEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303863302 1296862666 /nfs/dbraw/zinc/86/26/66/1296862666.db2.gz AFEXHOXLZUAJNF-KRWDZBQOSA-N 2 1 336.483 3.477 20 30 EGEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])NCCc1ccccc1 ZINC000303881339 1296866710 /nfs/dbraw/zinc/86/67/10/1296866710.db2.gz HPOSWTOZVSAZFO-UHFFFAOYSA-N 2 1 338.499 3.174 20 30 EGEDMP CCCC[NH+]=C(NCc1ccc(C)cc1)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000303882423 1296868394 /nfs/dbraw/zinc/86/83/94/1296868394.db2.gz IBDCDTICOINTOG-IBGZPJMESA-N 2 1 330.520 3.172 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCCCC[N@H+]2CCCC[C@H]2C)cc1OC ZINC000303898816 1296873331 /nfs/dbraw/zinc/87/33/31/1296873331.db2.gz RFCDZOVLLAFNTN-OAHLLOKOSA-N 2 1 348.491 3.085 20 30 EGEDMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877660667 1299461127 /nfs/dbraw/zinc/46/11/27/1299461127.db2.gz QDIQMFNQCAHCPE-SFHLNBCPSA-N 2 1 326.484 3.373 20 30 EGEDMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877660667 1299461131 /nfs/dbraw/zinc/46/11/31/1299461131.db2.gz QDIQMFNQCAHCPE-SFHLNBCPSA-N 2 1 326.484 3.373 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1O ZINC000754737362 1300206240 /nfs/dbraw/zinc/20/62/40/1300206240.db2.gz RNJIKZDPDJGEGK-KRWDZBQOSA-N 2 1 344.499 3.293 20 30 EGEDMP C=CC(C)(C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000879101057 1300367896 /nfs/dbraw/zinc/36/78/96/1300367896.db2.gz ACUHWAJVIASYOO-UHFFFAOYSA-N 2 1 349.563 3.243 20 30 EGEDMP CC(C)[N@H+]1CC[C@@H](C[NH+]=C(NCc2cccs2)NC(C)(C)C)C1 ZINC000912506551 1318894054 /nfs/dbraw/zinc/89/40/54/1318894054.db2.gz PZCVUOQAWGRDPI-HNNXBMFYSA-N 2 1 336.549 3.312 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000815652323 1319036996 /nfs/dbraw/zinc/03/69/96/1319036996.db2.gz XZMKNKFRIQYFDG-INIZCTEOSA-N 2 1 326.362 3.117 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000815652323 1319037005 /nfs/dbraw/zinc/03/70/05/1319037005.db2.gz XZMKNKFRIQYFDG-INIZCTEOSA-N 2 1 326.362 3.117 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000815652386 1319037197 /nfs/dbraw/zinc/03/71/97/1319037197.db2.gz ADLUONLVXSHKJC-GFCCVEGCSA-N 2 1 327.241 3.194 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Br)c(F)c1 ZINC000815652386 1319037207 /nfs/dbraw/zinc/03/72/07/1319037207.db2.gz ADLUONLVXSHKJC-GFCCVEGCSA-N 2 1 327.241 3.194 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001023369516 1319481966 /nfs/dbraw/zinc/48/19/66/1319481966.db2.gz FFBOIVFUTCCLLE-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001023369516 1319481971 /nfs/dbraw/zinc/48/19/71/1319481971.db2.gz FFBOIVFUTCCLLE-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001023369516 1319481979 /nfs/dbraw/zinc/48/19/79/1319481979.db2.gz FFBOIVFUTCCLLE-MOPGFXCFSA-N 2 1 347.547 3.045 20 30 EGEDMP C[NH+]=C(NCc1ccccc1C[N@@H+](C)C1CCCCC1)NC1CC1 ZINC000849050334 1322059047 /nfs/dbraw/zinc/05/90/47/1322059047.db2.gz ZSBCTSHVBCLGMI-UHFFFAOYSA-N 2 1 328.504 3.279 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294357 1324124638 /nfs/dbraw/zinc/12/46/38/1324124638.db2.gz IYZGJMAWJUQCAU-OALUTQOASA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294357 1324124640 /nfs/dbraw/zinc/12/46/40/1324124640.db2.gz IYZGJMAWJUQCAU-OALUTQOASA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025453278 1324294526 /nfs/dbraw/zinc/29/45/26/1324294526.db2.gz PMGYPMXDAZPNCG-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000926126529 1325439006 /nfs/dbraw/zinc/43/90/06/1325439006.db2.gz QOOXOPNSWHDAFQ-QFBILLFUSA-N 2 1 329.488 3.061 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027885273 1328352805 /nfs/dbraw/zinc/35/28/05/1328352805.db2.gz CFOMHNRVCGUXOR-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001027885273 1328352812 /nfs/dbraw/zinc/35/28/12/1328352812.db2.gz CFOMHNRVCGUXOR-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001027885273 1328352819 /nfs/dbraw/zinc/35/28/19/1328352819.db2.gz CFOMHNRVCGUXOR-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945088476 1332496296 /nfs/dbraw/zinc/49/62/96/1332496296.db2.gz BSLMMEKSWKMQML-YLJYHZDGSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H](C)C1 ZINC000945337316 1332560528 /nfs/dbraw/zinc/56/05/28/1332560528.db2.gz WNGWHFCUKPLHQQ-AEFFLSMTSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056952 1333358512 /nfs/dbraw/zinc/35/85/12/1333358512.db2.gz OOZMSYXUESLCSS-XLIONFOSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000948377048 1333502545 /nfs/dbraw/zinc/50/25/45/1333502545.db2.gz GEWPSMBBZFWDJI-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000948377048 1333502547 /nfs/dbraw/zinc/50/25/47/1333502547.db2.gz GEWPSMBBZFWDJI-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000948377048 1333502548 /nfs/dbraw/zinc/50/25/48/1333502548.db2.gz GEWPSMBBZFWDJI-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439400 1333525464 /nfs/dbraw/zinc/52/54/64/1333525464.db2.gz OROAAHKNYAJALY-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439400 1333525467 /nfs/dbraw/zinc/52/54/67/1333525467.db2.gz OROAAHKNYAJALY-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439400 1333525468 /nfs/dbraw/zinc/52/54/68/1333525468.db2.gz OROAAHKNYAJALY-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000951362303 1334231350 /nfs/dbraw/zinc/23/13/50/1334231350.db2.gz PQGNXBFFJAVMBU-FQEVSTJZSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000951362303 1334231354 /nfs/dbraw/zinc/23/13/54/1334231354.db2.gz PQGNXBFFJAVMBU-FQEVSTJZSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969101361 1336143295 /nfs/dbraw/zinc/14/32/95/1336143295.db2.gz ZMSVPYVDLNBGIH-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755037 1340791677 /nfs/dbraw/zinc/79/16/77/1340791677.db2.gz FEFPZCIXHDZKIC-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755037 1340791681 /nfs/dbraw/zinc/79/16/81/1340791681.db2.gz FEFPZCIXHDZKIC-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755037 1340791683 /nfs/dbraw/zinc/79/16/83/1340791683.db2.gz FEFPZCIXHDZKIC-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001032584126 1341549148 /nfs/dbraw/zinc/54/91/48/1341549148.db2.gz NYYBEHPLZMYIHL-SLFFLAALSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584126 1341549149 /nfs/dbraw/zinc/54/91/49/1341549149.db2.gz NYYBEHPLZMYIHL-SLFFLAALSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584126 1341549152 /nfs/dbraw/zinc/54/91/52/1341549152.db2.gz NYYBEHPLZMYIHL-SLFFLAALSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001034480289 1342537876 /nfs/dbraw/zinc/53/78/76/1342537876.db2.gz HHVNOQIOGVVIHE-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034480289 1342537877 /nfs/dbraw/zinc/53/78/77/1342537877.db2.gz HHVNOQIOGVVIHE-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001034480289 1342537880 /nfs/dbraw/zinc/53/78/80/1342537880.db2.gz HHVNOQIOGVVIHE-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035188565 1343002349 /nfs/dbraw/zinc/00/23/49/1343002349.db2.gz GAKPACNSLGLDJH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035188565 1343002353 /nfs/dbraw/zinc/00/23/53/1343002353.db2.gz GAKPACNSLGLDJH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035188565 1343002355 /nfs/dbraw/zinc/00/23/55/1343002355.db2.gz GAKPACNSLGLDJH-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001036096726 1343312071 /nfs/dbraw/zinc/31/20/71/1343312071.db2.gz PQJYVXLFPNZGRZ-FUHWJXTLSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036716922 1343649591 /nfs/dbraw/zinc/64/95/91/1343649591.db2.gz NQWBVFLZRZSMAE-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377445 1345034135 /nfs/dbraw/zinc/03/41/35/1345034135.db2.gz YDQSDULAXAUYEM-KURKYZTESA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001039377445 1345034139 /nfs/dbraw/zinc/03/41/39/1345034139.db2.gz YDQSDULAXAUYEM-KURKYZTESA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063376 1345933497 /nfs/dbraw/zinc/93/34/97/1345933497.db2.gz VTQDVCDNKUVRMZ-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045940601 1346776537 /nfs/dbraw/zinc/77/65/37/1346776537.db2.gz BFCRKVDJWAJEBK-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940601 1346776541 /nfs/dbraw/zinc/77/65/41/1346776541.db2.gz BFCRKVDJWAJEBK-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045940601 1346776547 /nfs/dbraw/zinc/77/65/47/1346776547.db2.gz BFCRKVDJWAJEBK-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001045945156 1346780602 /nfs/dbraw/zinc/78/06/02/1346780602.db2.gz NKGUJBJJVNQIAA-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945156 1346780603 /nfs/dbraw/zinc/78/06/03/1346780603.db2.gz NKGUJBJJVNQIAA-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001045945156 1346780605 /nfs/dbraw/zinc/78/06/05/1346780605.db2.gz NKGUJBJJVNQIAA-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC001048583841 1347605857 /nfs/dbraw/zinc/60/58/57/1347605857.db2.gz RTGZZFIUIZDMDX-LTFPLMDUSA-N 2 1 347.547 3.042 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486597 1347872076 /nfs/dbraw/zinc/87/20/76/1347872076.db2.gz SEADCOQEAIIRHR-KZNAEPCWSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486597 1347872077 /nfs/dbraw/zinc/87/20/77/1347872077.db2.gz SEADCOQEAIIRHR-KZNAEPCWSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049664479 1347963266 /nfs/dbraw/zinc/96/32/66/1347963266.db2.gz QLEMOFGWESTVGS-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049664479 1347963269 /nfs/dbraw/zinc/96/32/69/1347963269.db2.gz QLEMOFGWESTVGS-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001049664479 1347963272 /nfs/dbraw/zinc/96/32/72/1347963272.db2.gz QLEMOFGWESTVGS-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001049664478 1347963313 /nfs/dbraw/zinc/96/33/13/1347963313.db2.gz QLEMOFGWESTVGS-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049664478 1347963314 /nfs/dbraw/zinc/96/33/14/1347963314.db2.gz QLEMOFGWESTVGS-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001049664478 1347963316 /nfs/dbraw/zinc/96/33/16/1347963316.db2.gz QLEMOFGWESTVGS-VAMGGRTRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049914114 1348108790 /nfs/dbraw/zinc/10/87/90/1348108790.db2.gz MTXXHSXSPDQKFG-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001053105615 1348943400 /nfs/dbraw/zinc/94/34/00/1348943400.db2.gz QADLTHVHRUOUFP-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2C1 ZINC001054270692 1349270012 /nfs/dbraw/zinc/27/00/12/1349270012.db2.gz XNYNVSNJDHEHRJ-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270692 1349270014 /nfs/dbraw/zinc/27/00/14/1349270014.db2.gz XNYNVSNJDHEHRJ-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2C1 ZINC001054270692 1349270016 /nfs/dbraw/zinc/27/00/16/1349270016.db2.gz XNYNVSNJDHEHRJ-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080317868 1357572477 /nfs/dbraw/zinc/57/24/77/1357572477.db2.gz DKZXAPVJFLCNDS-RLLQIKCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080317868 1357572479 /nfs/dbraw/zinc/57/24/79/1357572479.db2.gz DKZXAPVJFLCNDS-RLLQIKCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080317868 1357572480 /nfs/dbraw/zinc/57/24/80/1357572480.db2.gz DKZXAPVJFLCNDS-RLLQIKCJSA-N 2 1 347.547 3.186 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183240638 1387283889 /nfs/dbraw/zinc/28/38/89/1387283889.db2.gz NSUAEKDYEHJNMF-RTBURBONSA-N 2 1 337.552 3.125 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001085918990 1358879248 /nfs/dbraw/zinc/87/92/48/1358879248.db2.gz QKQYELVEHPKBIC-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918990 1358879251 /nfs/dbraw/zinc/87/92/51/1358879251.db2.gz QKQYELVEHPKBIC-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001085918990 1358879255 /nfs/dbraw/zinc/87/92/55/1358879255.db2.gz QKQYELVEHPKBIC-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086927549 1359252676 /nfs/dbraw/zinc/25/26/76/1359252676.db2.gz FPZIEOXCHAGZSD-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1CC ZINC001087573097 1359538511 /nfs/dbraw/zinc/53/85/11/1359538511.db2.gz SXTFADZVQBAAIG-YZGWKJHDSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573097 1359538517 /nfs/dbraw/zinc/53/85/17/1359538517.db2.gz SXTFADZVQBAAIG-YZGWKJHDSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1CC ZINC001087573097 1359538519 /nfs/dbraw/zinc/53/85/19/1359538519.db2.gz SXTFADZVQBAAIG-YZGWKJHDSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407399 1360406090 /nfs/dbraw/zinc/40/60/90/1360406090.db2.gz ZCKJDIMAASZIGV-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407399 1360406092 /nfs/dbraw/zinc/40/60/92/1360406092.db2.gz ZCKJDIMAASZIGV-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407399 1360406094 /nfs/dbraw/zinc/40/60/94/1360406094.db2.gz ZCKJDIMAASZIGV-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089445426 1360434377 /nfs/dbraw/zinc/43/43/77/1360434377.db2.gz INGGSFGBVMKRSJ-RBUKOAKNSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457842 1360444838 /nfs/dbraw/zinc/44/48/38/1360444838.db2.gz HBOFJKFBWRVIAC-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509420 1360480914 /nfs/dbraw/zinc/48/09/14/1360480914.db2.gz BRTHLJJZKWKQJF-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509420 1360480915 /nfs/dbraw/zinc/48/09/15/1360480915.db2.gz BRTHLJJZKWKQJF-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089510642 1360482203 /nfs/dbraw/zinc/48/22/03/1360482203.db2.gz ZHEZOHXTFDZSTE-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089707075 1360610006 /nfs/dbraw/zinc/61/00/06/1360610006.db2.gz YZTIFMHHAVVVAF-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089707075 1360610009 /nfs/dbraw/zinc/61/00/09/1360610009.db2.gz YZTIFMHHAVVVAF-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089707075 1360610013 /nfs/dbraw/zinc/61/00/13/1360610013.db2.gz YZTIFMHHAVVVAF-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001089733968 1360638666 /nfs/dbraw/zinc/63/86/66/1360638666.db2.gz DPBSNDWCJCRSKM-GOSISDBHSA-N 2 1 343.515 3.155 20 30 EGEDMP C[C@@H](NN=Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001324230672 1387562270 /nfs/dbraw/zinc/56/22/70/1387562270.db2.gz IAIUZTQZMMXDQK-MRXNPFEDSA-N 2 1 340.446 3.262 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130845 1363642659 /nfs/dbraw/zinc/64/26/59/1363642659.db2.gz SXWZSKDIWRSSHA-QGZVFWFLSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130845 1363642663 /nfs/dbraw/zinc/64/26/63/1363642663.db2.gz SXWZSKDIWRSSHA-QGZVFWFLSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130845 1363642664 /nfs/dbraw/zinc/64/26/64/1363642664.db2.gz SXWZSKDIWRSSHA-QGZVFWFLSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099239394 1363708071 /nfs/dbraw/zinc/70/80/71/1363708071.db2.gz CTJHYTMIOAWALF-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099239394 1363708074 /nfs/dbraw/zinc/70/80/74/1363708074.db2.gz CTJHYTMIOAWALF-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099239394 1363708078 /nfs/dbraw/zinc/70/80/78/1363708078.db2.gz CTJHYTMIOAWALF-SFHVURJKSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001099353451 1363767619 /nfs/dbraw/zinc/76/76/19/1363767619.db2.gz BGNBJMLRPHYABU-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353943 1363768475 /nfs/dbraw/zinc/76/84/75/1363768475.db2.gz JONLJHPKLWMNLK-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729990 1364238425 /nfs/dbraw/zinc/23/84/25/1364238425.db2.gz ZCCZDMAMQZIJJL-SOAGJPPSSA-N 2 1 349.563 3.480 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396750 1364544361 /nfs/dbraw/zinc/54/43/61/1364544361.db2.gz IWWFWFGAHPFXMB-DYXWJJEUSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001101546662 1364610880 /nfs/dbraw/zinc/61/08/80/1364610880.db2.gz KTFZMBRTOYNAAA-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001101595967 1364646452 /nfs/dbraw/zinc/64/64/52/1364646452.db2.gz CSBAQVVRXWKNRC-HDICACEKSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375634 1365029473 /nfs/dbraw/zinc/02/94/73/1365029473.db2.gz UTNWBANIRBQIAT-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375634 1365029478 /nfs/dbraw/zinc/02/94/78/1365029478.db2.gz UTNWBANIRBQIAT-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375634 1365029480 /nfs/dbraw/zinc/02/94/80/1365029480.db2.gz UTNWBANIRBQIAT-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001102599510 1365131395 /nfs/dbraw/zinc/13/13/95/1365131395.db2.gz JEFBNIYUMTYGCL-IEBWSBKVSA-N 2 1 343.515 3.012 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103434320 1365557435 /nfs/dbraw/zinc/55/74/35/1365557435.db2.gz YXDDVGKFVYCPCU-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103434320 1365557437 /nfs/dbraw/zinc/55/74/37/1365557437.db2.gz YXDDVGKFVYCPCU-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103434320 1365557440 /nfs/dbraw/zinc/55/74/40/1365557440.db2.gz YXDDVGKFVYCPCU-HSALFYBXSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103436448 1365559000 /nfs/dbraw/zinc/55/90/00/1365559000.db2.gz YRNDPNMDCVPLIB-XUVXKRRUSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436448 1365559001 /nfs/dbraw/zinc/55/90/01/1365559001.db2.gz YRNDPNMDCVPLIB-XUVXKRRUSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436448 1365559002 /nfs/dbraw/zinc/55/90/02/1365559002.db2.gz YRNDPNMDCVPLIB-XUVXKRRUSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438318 1365560983 /nfs/dbraw/zinc/56/09/83/1365560983.db2.gz BATRBYZJEODLAR-CEXWTWQISA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438318 1365560985 /nfs/dbraw/zinc/56/09/85/1365560985.db2.gz BATRBYZJEODLAR-CEXWTWQISA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438318 1365560988 /nfs/dbraw/zinc/56/09/88/1365560988.db2.gz BATRBYZJEODLAR-CEXWTWQISA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001103544584 1365625039 /nfs/dbraw/zinc/62/50/39/1365625039.db2.gz YYKBEQHNORVGDT-GUDVDZBRSA-N 2 1 337.552 3.003 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107407595 1366954699 /nfs/dbraw/zinc/95/46/99/1366954699.db2.gz BYOSXVYAYVMXRV-WIYYLYMNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598719 1367065589 /nfs/dbraw/zinc/06/55/89/1367065589.db2.gz SIFAMFMSLJZSTL-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598719 1367065594 /nfs/dbraw/zinc/06/55/94/1367065594.db2.gz SIFAMFMSLJZSTL-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598719 1367065599 /nfs/dbraw/zinc/06/55/99/1367065599.db2.gz SIFAMFMSLJZSTL-TZIWHRDSSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107635063 1367085509 /nfs/dbraw/zinc/08/55/09/1367085509.db2.gz HPPZYPZBFAVFRV-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190655545 1367318294 /nfs/dbraw/zinc/31/82/94/1367318294.db2.gz QALBXEVNRGQCRB-MSOLQXFVSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190655545 1367318299 /nfs/dbraw/zinc/31/82/99/1367318299.db2.gz QALBXEVNRGQCRB-MSOLQXFVSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001192324179 1367750894 /nfs/dbraw/zinc/75/08/94/1367750894.db2.gz GEDOVHCMHKDXBP-MOPGFXCFSA-N 2 1 337.552 3.386 20 30 EGEDMP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192859352 1367890148 /nfs/dbraw/zinc/89/01/48/1367890148.db2.gz WNNYIPYNPVNELS-LJQANCHMSA-N 2 1 348.535 3.475 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192859352 1367890151 /nfs/dbraw/zinc/89/01/51/1367890151.db2.gz WNNYIPYNPVNELS-LJQANCHMSA-N 2 1 348.535 3.475 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193497708 1368045715 /nfs/dbraw/zinc/04/57/15/1368045715.db2.gz BCZSFCZGZPADKS-KRWDZBQOSA-N 2 1 344.503 3.040 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150519 1368166514 /nfs/dbraw/zinc/16/65/14/1368166514.db2.gz OPTALVHGOCPLMA-OWYHZJEWSA-N 2 1 344.503 3.048 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150519 1368166519 /nfs/dbraw/zinc/16/65/19/1368166519.db2.gz OPTALVHGOCPLMA-OWYHZJEWSA-N 2 1 344.503 3.048 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001111262495 1368229224 /nfs/dbraw/zinc/22/92/24/1368229224.db2.gz SIYARZYVBAWWNG-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001111262495 1368229230 /nfs/dbraw/zinc/22/92/30/1368229230.db2.gz SIYARZYVBAWWNG-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001111262495 1368229234 /nfs/dbraw/zinc/22/92/34/1368229234.db2.gz SIYARZYVBAWWNG-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001194406820 1368254929 /nfs/dbraw/zinc/25/49/29/1368254929.db2.gz BCPMHYSTBNKBPS-KRWDZBQOSA-N 2 1 347.503 3.234 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494377 1368321411 /nfs/dbraw/zinc/32/14/11/1368321411.db2.gz MNFSQARXUDNQBR-WTGUMLROSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001111817299 1368480174 /nfs/dbraw/zinc/48/01/74/1368480174.db2.gz YZPJRCQPDQCBAA-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111817299 1368480179 /nfs/dbraw/zinc/48/01/79/1368480179.db2.gz YZPJRCQPDQCBAA-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001111817299 1368480182 /nfs/dbraw/zinc/48/01/82/1368480182.db2.gz YZPJRCQPDQCBAA-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858112 1368508872 /nfs/dbraw/zinc/50/88/72/1368508872.db2.gz OSIWIMNTPZKSKH-ICSRJNTNSA-N 2 1 337.552 3.269 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111871088 1368517917 /nfs/dbraw/zinc/51/79/17/1368517917.db2.gz ZDOHNVMXYOHYRA-ZJOUEHCJSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111871088 1368517921 /nfs/dbraw/zinc/51/79/21/1368517921.db2.gz ZDOHNVMXYOHYRA-ZJOUEHCJSA-N 2 1 349.563 3.412 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001111871088 1368517927 /nfs/dbraw/zinc/51/79/27/1368517927.db2.gz ZDOHNVMXYOHYRA-ZJOUEHCJSA-N 2 1 349.563 3.412 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001196154111 1368559243 /nfs/dbraw/zinc/55/92/43/1368559243.db2.gz FAUXYPZJVUOXEZ-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196154111 1368559251 /nfs/dbraw/zinc/55/92/51/1368559251.db2.gz FAUXYPZJVUOXEZ-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001196154111 1368559253 /nfs/dbraw/zinc/55/92/53/1368559253.db2.gz FAUXYPZJVUOXEZ-FQEVSTJZSA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196215616 1368569171 /nfs/dbraw/zinc/56/91/71/1368569171.db2.gz PQPKXPRASBHKRU-SFHVURJKSA-N 2 1 325.541 3.077 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111987095 1368592502 /nfs/dbraw/zinc/59/25/02/1368592502.db2.gz RFQLMRZTDCVTGZ-FPOVZHCZSA-N 2 1 347.547 3.189 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001197332664 1368790004 /nfs/dbraw/zinc/79/00/04/1368790004.db2.gz YAVIKTAFDMXBRL-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332664 1368790007 /nfs/dbraw/zinc/79/00/07/1368790007.db2.gz YAVIKTAFDMXBRL-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001197332664 1368790011 /nfs/dbraw/zinc/79/00/11/1368790011.db2.gz YAVIKTAFDMXBRL-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113520128 1369475178 /nfs/dbraw/zinc/47/51/78/1369475178.db2.gz NLLOJVGPRXHKHB-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CCC[C@]2(C1)COCCN(CCOC)C2 ZINC001201762906 1369618851 /nfs/dbraw/zinc/61/88/51/1369618851.db2.gz ZAIGINURZGNZHT-LJQANCHMSA-N 2 1 326.525 3.018 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501432 1369977384 /nfs/dbraw/zinc/97/73/84/1369977384.db2.gz BGOQHVIOZJWVGY-YSHGAJCASA-N 2 1 347.547 3.041 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114501432 1369977389 /nfs/dbraw/zinc/97/73/89/1369977389.db2.gz BGOQHVIOZJWVGY-YSHGAJCASA-N 2 1 347.547 3.041 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114501432 1369977393 /nfs/dbraw/zinc/97/73/93/1369977393.db2.gz BGOQHVIOZJWVGY-YSHGAJCASA-N 2 1 347.547 3.041 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576441 1370175836 /nfs/dbraw/zinc/17/58/36/1370175836.db2.gz DJOSLOWKKQMREB-QZTJIDSGSA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203791967 1370267129 /nfs/dbraw/zinc/26/71/29/1370267129.db2.gz MMKGHIYWLPIWFW-MSOLQXFVSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450711 1370459199 /nfs/dbraw/zinc/45/91/99/1370459199.db2.gz LNIKJIXIIBCDMD-GOSISDBHSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCCC1 ZINC001115611479 1370610275 /nfs/dbraw/zinc/61/02/75/1370610275.db2.gz JTJTYBMTUSUABL-SFHVURJKSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462409 1370763207 /nfs/dbraw/zinc/76/32/07/1370763207.db2.gz XFOYOEWBONKWEV-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001207487256 1371410891 /nfs/dbraw/zinc/41/08/91/1371410891.db2.gz VLPDYMQSJOCIAA-LJQANCHMSA-N 2 1 327.472 3.133 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CCCCC1 ZINC001119993959 1371446839 /nfs/dbraw/zinc/44/68/39/1371446839.db2.gz WPSXDKUNTBRFKI-LJQANCHMSA-N 2 1 343.515 3.274 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001208402160 1371755012 /nfs/dbraw/zinc/75/50/12/1371755012.db2.gz WNUPTYMZWVNTSZ-MISYRCLQSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001208402160 1371755015 /nfs/dbraw/zinc/75/50/15/1371755015.db2.gz WNUPTYMZWVNTSZ-MISYRCLQSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001208402160 1371755019 /nfs/dbraw/zinc/75/50/19/1371755019.db2.gz WNUPTYMZWVNTSZ-MISYRCLQSA-N 2 1 347.547 3.186 20 30 EGEDMP CCCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121767544 1372074692 /nfs/dbraw/zinc/07/46/92/1372074692.db2.gz GQHCKEKPBGPLCQ-PMRGXDQWSA-N 2 1 349.563 3.458 20 30 EGEDMP N#Cc1ccc(O[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC001209452972 1372110287 /nfs/dbraw/zinc/11/02/87/1372110287.db2.gz AXBWCHGCPOEKNP-FQEVSTJZSA-N 2 1 327.472 3.277 20 30 EGEDMP N#Cc1ccc(O[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC001209452972 1372110288 /nfs/dbraw/zinc/11/02/88/1372110288.db2.gz AXBWCHGCPOEKNP-FQEVSTJZSA-N 2 1 327.472 3.277 20 30 EGEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210213288 1372295268 /nfs/dbraw/zinc/29/52/68/1372295268.db2.gz HFWIZOSYXIJETN-NVXWUHKLSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210213288 1372295274 /nfs/dbraw/zinc/29/52/74/1372295274.db2.gz HFWIZOSYXIJETN-NVXWUHKLSA-N 2 1 343.943 3.078 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001210243368 1372302727 /nfs/dbraw/zinc/30/27/27/1372302727.db2.gz JTMFTBGDABWNTP-RLLQIKCJSA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243368 1372302731 /nfs/dbraw/zinc/30/27/31/1372302731.db2.gz JTMFTBGDABWNTP-RLLQIKCJSA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243368 1372302736 /nfs/dbraw/zinc/30/27/36/1372302736.db2.gz JTMFTBGDABWNTP-RLLQIKCJSA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243368 1372302741 /nfs/dbraw/zinc/30/27/41/1372302741.db2.gz JTMFTBGDABWNTP-RLLQIKCJSA-N 2 1 343.515 3.082 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855580 1373130129 /nfs/dbraw/zinc/13/01/29/1373130129.db2.gz HFQJDHMNKZTARH-KZNAEPCWSA-N 2 1 346.519 3.167 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377271 1375339034 /nfs/dbraw/zinc/33/90/34/1375339034.db2.gz VPCYZHMNOLHUFK-MSOLQXFVSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@@H+](C)CC ZINC001229525203 1375851557 /nfs/dbraw/zinc/85/15/57/1375851557.db2.gz YJONBWNWWGPCTA-QZTJIDSGSA-N 2 1 325.541 3.316 20 30 EGEDMP CCCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001230359548 1376008568 /nfs/dbraw/zinc/00/85/68/1376008568.db2.gz DAYNAPYWDIEVLS-IBGZPJMESA-N 2 1 337.552 3.412 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001230359998 1376008724 /nfs/dbraw/zinc/00/87/24/1376008724.db2.gz OMLHUNJNXUKQBV-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001230610908 1376101530 /nfs/dbraw/zinc/10/15/30/1376101530.db2.gz JTLUMZOEZBLKLF-VQTJNVASSA-N 2 1 349.563 3.242 20 30 EGEDMP Cc1cc(C#N)ccc1CN1CCC[C@]2(C1)COCC[N@H+](C(C)C)C2 ZINC001233079777 1376565670 /nfs/dbraw/zinc/56/56/70/1376565670.db2.gz NEYMWWKGTROPTL-OAQYLSRUSA-N 2 1 341.499 3.190 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001233079777 1376565678 /nfs/dbraw/zinc/56/56/78/1376565678.db2.gz NEYMWWKGTROPTL-OAQYLSRUSA-N 2 1 341.499 3.190 20 30 EGEDMP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001233079777 1376565680 /nfs/dbraw/zinc/56/56/80/1376565680.db2.gz NEYMWWKGTROPTL-OAQYLSRUSA-N 2 1 341.499 3.190 20 30 EGEDMP C=CCC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235702059 1376884953 /nfs/dbraw/zinc/88/49/53/1376884953.db2.gz IFQHBJSZEARFKK-UHFFFAOYSA-N 2 1 338.451 3.453 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135626987 1377168253 /nfs/dbraw/zinc/16/82/53/1377168253.db2.gz WCZWZNQUGXDVAX-LSDHHAIUSA-N 2 1 340.899 3.022 20 30 EGEDMP N#CCOc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC001137120646 1377481577 /nfs/dbraw/zinc/48/15/77/1377481577.db2.gz YTLBJHZYNCWVDE-SFTDATJTSA-N 2 1 347.462 3.153 20 30 EGEDMP C#CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)cc1OC ZINC001138346240 1377706421 /nfs/dbraw/zinc/70/64/21/1377706421.db2.gz ZFEGECDVDUFIOI-UHFFFAOYSA-N 2 1 344.499 3.259 20 30 EGEDMP C=CCc1cccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1O ZINC001138631474 1377757761 /nfs/dbraw/zinc/75/77/61/1377757761.db2.gz TWNQQONNSPKVBH-UHFFFAOYSA-N 2 1 344.499 3.196 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001140547557 1378083365 /nfs/dbraw/zinc/08/33/65/1378083365.db2.gz UDBMPKQHNNWXRJ-NHCUHLMSSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001140547557 1378083367 /nfs/dbraw/zinc/08/33/67/1378083367.db2.gz UDBMPKQHNNWXRJ-NHCUHLMSSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC001140547557 1378083368 /nfs/dbraw/zinc/08/33/68/1378083368.db2.gz UDBMPKQHNNWXRJ-NHCUHLMSSA-N 2 1 346.478 3.297 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001148839959 1379280919 /nfs/dbraw/zinc/28/09/19/1379280919.db2.gz WCCXYECNKAFEEI-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148839959 1379280925 /nfs/dbraw/zinc/28/09/25/1379280925.db2.gz WCCXYECNKAFEEI-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148839959 1379280929 /nfs/dbraw/zinc/28/09/29/1379280929.db2.gz WCCXYECNKAFEEI-LJQANCHMSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001153501874 1380085849 /nfs/dbraw/zinc/08/58/49/1380085849.db2.gz WRVHUHMZRZGUBJ-CEXWTWQISA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501874 1380085851 /nfs/dbraw/zinc/08/58/51/1380085851.db2.gz WRVHUHMZRZGUBJ-CEXWTWQISA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001153501874 1380085853 /nfs/dbraw/zinc/08/58/53/1380085853.db2.gz WRVHUHMZRZGUBJ-CEXWTWQISA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819319 1380136940 /nfs/dbraw/zinc/13/69/40/1380136940.db2.gz WJYNVTXWNZHYOI-MSOLQXFVSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153819319 1380136941 /nfs/dbraw/zinc/13/69/41/1380136941.db2.gz WJYNVTXWNZHYOI-MSOLQXFVSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001155249981 1380429120 /nfs/dbraw/zinc/42/91/20/1380429120.db2.gz XJWWXHAFUBZXBL-GOSISDBHSA-N 2 1 345.531 3.197 20 30 EGEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCCCCC)CC1 ZINC001157092086 1380774136 /nfs/dbraw/zinc/77/41/36/1380774136.db2.gz JRINXTYWQIAXLA-LJQANCHMSA-N 2 1 349.563 3.129 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC001158491121 1381266528 /nfs/dbraw/zinc/26/65/28/1381266528.db2.gz KGXOLFGJIOPERS-MOPGFXCFSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001158913752 1381460652 /nfs/dbraw/zinc/46/06/52/1381460652.db2.gz AVEUSWJFTCCQLL-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838999 1381916837 /nfs/dbraw/zinc/91/68/37/1381916837.db2.gz RNZHKODYOWUIEV-SFHVURJKSA-N 2 1 325.541 3.031 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160359937 1382082756 /nfs/dbraw/zinc/08/27/56/1382082756.db2.gz GQLKHNDQWOGOAP-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359937 1382082759 /nfs/dbraw/zinc/08/27/59/1382082759.db2.gz GQLKHNDQWOGOAP-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160359937 1382082761 /nfs/dbraw/zinc/08/27/61/1382082761.db2.gz GQLKHNDQWOGOAP-HXUWFJFHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160466807 1382112976 /nfs/dbraw/zinc/11/29/76/1382112976.db2.gz JKCVQELURIPUHR-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160466807 1382112980 /nfs/dbraw/zinc/11/29/80/1382112980.db2.gz JKCVQELURIPUHR-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160466807 1382112983 /nfs/dbraw/zinc/11/29/83/1382112983.db2.gz JKCVQELURIPUHR-VQTJNVASSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160467485 1382114424 /nfs/dbraw/zinc/11/44/24/1382114424.db2.gz UTIPXFKJZRUIBP-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160467485 1382114428 /nfs/dbraw/zinc/11/44/28/1382114428.db2.gz UTIPXFKJZRUIBP-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160467485 1382114431 /nfs/dbraw/zinc/11/44/31/1382114431.db2.gz UTIPXFKJZRUIBP-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467486 1382114747 /nfs/dbraw/zinc/11/47/47/1382114747.db2.gz UTIPXFKJZRUIBP-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160467486 1382114756 /nfs/dbraw/zinc/11/47/56/1382114756.db2.gz UTIPXFKJZRUIBP-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160467486 1382114759 /nfs/dbraw/zinc/11/47/59/1382114759.db2.gz UTIPXFKJZRUIBP-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP Cc1ccc(CC#N)c(NCC2CC[NH+](Cc3ccccn3)CC2)[nH+]1 ZINC001161245490 1382353527 /nfs/dbraw/zinc/35/35/27/1382353527.db2.gz ARVQEWDCBLLZSL-UHFFFAOYSA-N 2 1 335.455 3.175 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161382845 1382390826 /nfs/dbraw/zinc/39/08/26/1382390826.db2.gz BGAPHXHAIWSWSP-LJQANCHMSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164514365 1383195311 /nfs/dbraw/zinc/19/53/11/1383195311.db2.gz QGVOJLOHBCMDGG-QZTJIDSGSA-N 2 1 335.536 3.090 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165472319 1383300247 /nfs/dbraw/zinc/30/02/47/1383300247.db2.gz KUUMMXWVZYATIY-MOPGFXCFSA-N 2 1 349.563 3.195 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569386 1383311835 /nfs/dbraw/zinc/31/18/35/1383311835.db2.gz YFSLXXTYVBVACA-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP CCN1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241527 1384126526 /nfs/dbraw/zinc/12/65/26/1384126526.db2.gz OICVHKRKCXSDIX-MXVIHJGJSA-N 2 1 340.515 3.114 20 30 EGEDMP CC[NH+]1CCC([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241527 1384126527 /nfs/dbraw/zinc/12/65/27/1384126527.db2.gz OICVHKRKCXSDIX-MXVIHJGJSA-N 3 1 340.515 3.114 20 30 EGEDMP CC[NH+]1CCC([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241527 1384126528 /nfs/dbraw/zinc/12/65/28/1384126528.db2.gz OICVHKRKCXSDIX-MXVIHJGJSA-N 3 1 340.515 3.114 20 30 EGEDMP Cc1cccc(N([C@H](C)Cc2cccc(C#N)c2)C2CC[NH2+]CC2)[nH+]1 ZINC001171230000 1384474873 /nfs/dbraw/zinc/47/48/73/1384474873.db2.gz AFHSQBOCAKARTP-QGZVFWFLSA-N 2 1 334.467 3.451 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(C(F)(F)F)cc1)C2 ZINC001172102010 1384726572 /nfs/dbraw/zinc/72/65/72/1384726572.db2.gz JFZFCVFUHKLUNH-QDMKHBRRSA-N 2 1 325.378 3.426 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CC2 ZINC001172116632 1384733089 /nfs/dbraw/zinc/73/30/89/1384733089.db2.gz LYFIHCIWJGSUSB-JTJHWIPRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116632 1384733095 /nfs/dbraw/zinc/73/30/95/1384733095.db2.gz LYFIHCIWJGSUSB-JTJHWIPRSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CC2 ZINC001172116632 1384733098 /nfs/dbraw/zinc/73/30/98/1384733098.db2.gz LYFIHCIWJGSUSB-JTJHWIPRSA-N 2 1 345.531 3.035 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133548 1384739134 /nfs/dbraw/zinc/73/91/34/1384739134.db2.gz SWVVURAIXCHRDX-XODKDNOYSA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133548 1384739137 /nfs/dbraw/zinc/73/91/37/1384739137.db2.gz SWVVURAIXCHRDX-XODKDNOYSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133548 1384739139 /nfs/dbraw/zinc/73/91/39/1384739139.db2.gz SWVVURAIXCHRDX-XODKDNOYSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133548 1384739142 /nfs/dbraw/zinc/73/91/42/1384739142.db2.gz SWVVURAIXCHRDX-XODKDNOYSA-N 2 1 339.483 3.417 20 30 EGEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCC([NH+](CC)CC)CC2)C1 ZINC001173117023 1384918604 /nfs/dbraw/zinc/91/86/04/1384918604.db2.gz IUXHLZICWHRZAT-WWDZGPRUSA-N 2 1 337.508 3.016 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176591821 1385634741 /nfs/dbraw/zinc/63/47/41/1385634741.db2.gz QHAPYEBKMQZOEI-QGZVFWFLSA-N 2 1 334.508 3.203 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484576 1386231984 /nfs/dbraw/zinc/23/19/84/1386231984.db2.gz VJTKBRJNUYBLLD-MOPGFXCFSA-N 2 1 335.536 3.093 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178811366 1386314169 /nfs/dbraw/zinc/31/41/69/1386314169.db2.gz SQVWTDSMYRAHDF-RBUKOAKNSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714314 1386562426 /nfs/dbraw/zinc/56/24/26/1386562426.db2.gz OTNQEOGLDCHRCX-UHFFFAOYSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001179776975 1386581884 /nfs/dbraw/zinc/58/18/84/1386581884.db2.gz LKKJHAPWIHXSBG-IRXDYDNUSA-N 2 1 334.508 3.209 20 30 EGEDMP CCCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180265077 1386750863 /nfs/dbraw/zinc/75/08/63/1386750863.db2.gz NZHMJFQUDCPOGN-GOSISDBHSA-N 2 1 325.541 3.175 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182346421 1387154320 /nfs/dbraw/zinc/15/43/20/1387154320.db2.gz PENIEFXGGMZVEX-SVFBPWRDSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623370 1387198067 /nfs/dbraw/zinc/19/80/67/1387198067.db2.gz LIMIYWSBTRZIPP-YLJYHZDGSA-N 2 1 337.552 3.005 20 30 EGEDMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001751974836 1440130004 /nfs/dbraw/zinc/13/00/04/1440130004.db2.gz HFFDOABRAUYTNQ-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001751974836 1440130006 /nfs/dbraw/zinc/13/00/06/1440130006.db2.gz HFFDOABRAUYTNQ-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001751974836 1440130007 /nfs/dbraw/zinc/13/00/07/1440130007.db2.gz HFFDOABRAUYTNQ-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001752538179 1440194369 /nfs/dbraw/zinc/19/43/69/1440194369.db2.gz FDURBYGZNITUGB-YSTOQKLRSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001752538179 1440194370 /nfs/dbraw/zinc/19/43/70/1440194370.db2.gz FDURBYGZNITUGB-YSTOQKLRSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001752538179 1440194371 /nfs/dbraw/zinc/19/43/71/1440194371.db2.gz FDURBYGZNITUGB-YSTOQKLRSA-N 2 1 347.547 3.137 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001752841762 1440230893 /nfs/dbraw/zinc/23/08/93/1440230893.db2.gz UHVUUIKEDVHGIR-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001752850978 1440233550 /nfs/dbraw/zinc/23/35/50/1440233550.db2.gz VIIAIGXCHBGGJO-CTWPCTMYSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001753222833 1440340266 /nfs/dbraw/zinc/34/02/66/1440340266.db2.gz OZIMCGACFJUZCL-MJGOQNOKSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753547708 1440434496 /nfs/dbraw/zinc/43/44/96/1440434496.db2.gz HCEBDAMGFQEMNA-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001753562605 1440437169 /nfs/dbraw/zinc/43/71/69/1440437169.db2.gz SYCXHVXFEFBHEO-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001754546581 1440627859 /nfs/dbraw/zinc/62/78/59/1440627859.db2.gz INUHJDGGASGZNL-NXEWRWPSSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001754674972 1440659345 /nfs/dbraw/zinc/65/93/45/1440659345.db2.gz GZHZVSUHPWBQQF-MGPUTAFESA-N 2 1 340.471 3.192 20 30 EGEDMP C=CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001754717856 1440672072 /nfs/dbraw/zinc/67/20/72/1440672072.db2.gz HLNRENNXJUMLKD-UHFFFAOYSA-N 2 1 335.536 3.044 20 30 EGEDMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000311203362 154147772 /nfs/dbraw/zinc/14/77/72/154147772.db2.gz LLKCBSOBWOHNQW-LJQANCHMSA-N 2 1 335.451 3.179 20 30 EGEDMP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185704990 267182300 /nfs/dbraw/zinc/18/23/00/267182300.db2.gz XCDUSJDHLRJIGJ-FUHWJXTLSA-N 2 1 327.472 3.180 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000539086293 314295571 /nfs/dbraw/zinc/29/55/71/314295571.db2.gz GFYTUAWUOPRKSK-GCJKJVERSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000539086293 314295573 /nfs/dbraw/zinc/29/55/73/314295573.db2.gz GFYTUAWUOPRKSK-GCJKJVERSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000072727269 454333506 /nfs/dbraw/zinc/33/35/06/454333506.db2.gz KHKGHVJVPLLXDL-SFHVURJKSA-N 2 1 328.504 3.391 20 30 EGEDMP C=CCOc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000121755324 454473071 /nfs/dbraw/zinc/47/30/71/454473071.db2.gz CLQUKCBAHOKPRV-UHFFFAOYSA-N 2 1 325.456 3.440 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564002 454721464 /nfs/dbraw/zinc/72/14/64/454721464.db2.gz XSSZJJQWCBLPET-NRFANRHFSA-N 2 1 340.515 3.487 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000152991621 454750561 /nfs/dbraw/zinc/75/05/61/454750561.db2.gz KDSJASZNTGSIHS-UHFFFAOYSA-N 2 1 343.515 3.294 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748520 455614418 /nfs/dbraw/zinc/61/44/18/455614418.db2.gz OLTKIPFZMCBMMH-FGTMMUONSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748520 455614421 /nfs/dbraw/zinc/61/44/21/455614421.db2.gz OLTKIPFZMCBMMH-FGTMMUONSA-N 2 1 335.536 3.042 20 30 EGEDMP C#CCC[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000302000956 456267865 /nfs/dbraw/zinc/26/78/65/456267865.db2.gz WHVDEZRVMREHJM-UHFFFAOYSA-N 2 1 333.357 3.399 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000290523230 456353358 /nfs/dbraw/zinc/35/33/58/456353358.db2.gz QDMREKKLXRWHNA-LJQANCHMSA-N 2 1 344.499 3.293 20 30 EGEDMP CN(c1ccccc1C[N@H+](C)CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000354041400 457026727 /nfs/dbraw/zinc/02/67/27/457026727.db2.gz SWWSPXHWJHLWRE-UHFFFAOYSA-N 2 1 328.504 3.199 20 30 EGEDMP CN(c1ccccc1C[N@@H+](C)CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000354041400 457026730 /nfs/dbraw/zinc/02/67/30/457026730.db2.gz SWWSPXHWJHLWRE-UHFFFAOYSA-N 2 1 328.504 3.199 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000373870845 457376721 /nfs/dbraw/zinc/37/67/21/457376721.db2.gz XXOULUIKSVAHFU-RXVVDRJESA-N 2 1 346.490 3.403 20 30 EGEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370650705 457690793 /nfs/dbraw/zinc/69/07/93/457690793.db2.gz NBMIIQRZHRGLNS-FQEVSTJZSA-N 2 1 328.500 3.302 20 30 EGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCC(C)(C)C#N)CC2)CC1 ZINC000371153389 457810039 /nfs/dbraw/zinc/81/00/39/457810039.db2.gz BERMOZLNXOIALM-UHFFFAOYSA-N 2 1 348.579 3.444 20 30 EGEDMP C[N@H+](CCCC(C)(C)C#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371153389 457810044 /nfs/dbraw/zinc/81/00/44/457810044.db2.gz BERMOZLNXOIALM-UHFFFAOYSA-N 3 1 348.579 3.444 20 30 EGEDMP C[N@@H+](CCCC(C)(C)C#N)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371153389 457810050 /nfs/dbraw/zinc/81/00/50/457810050.db2.gz BERMOZLNXOIALM-UHFFFAOYSA-N 3 1 348.579 3.444 20 30 EGEDMP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420317076 458398612 /nfs/dbraw/zinc/39/86/12/458398612.db2.gz MYJJBQBQJIEUSW-IBGZPJMESA-N 2 1 340.467 3.434 20 30 EGEDMP N#CCCn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000377647732 458509118 /nfs/dbraw/zinc/50/91/18/458509118.db2.gz MEIOFMALKOVGAS-UXHICEINSA-N 2 1 349.482 3.180 20 30 EGEDMP N#CCCn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000377647732 458509122 /nfs/dbraw/zinc/50/91/22/458509122.db2.gz MEIOFMALKOVGAS-UXHICEINSA-N 2 1 349.482 3.180 20 30 EGEDMP C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512612486 458785736 /nfs/dbraw/zinc/78/57/36/458785736.db2.gz OSPUQCRPLYJHJD-NJDAHSKKSA-N 2 1 328.500 3.469 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512617776 458786719 /nfs/dbraw/zinc/78/67/19/458786719.db2.gz GRXHBZJGMFUGDM-XSDIEEQYSA-N 2 1 328.500 3.061 20 30 EGEDMP C=CCCOCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512668209 458787066 /nfs/dbraw/zinc/78/70/66/458787066.db2.gz TYYWOWVHPQBBTL-PCCBWWKXSA-N 2 1 328.500 3.469 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C)c2)CC1 ZINC000532515210 459104639 /nfs/dbraw/zinc/10/46/39/459104639.db2.gz JPIMENYBHIBUJF-QGZVFWFLSA-N 2 1 329.488 3.342 20 30 EGEDMP C=CC[C@@H](C)[C@H](C)Nc1ccc2[nH]c(CCN3CCOCC3)nc2c1 ZINC000558274278 459143567 /nfs/dbraw/zinc/14/35/67/459143567.db2.gz QDGYSHMGJGNNCF-CVEARBPZSA-N 2 1 342.487 3.450 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000591570872 459404231 /nfs/dbraw/zinc/40/42/31/459404231.db2.gz YIERTWMZMMBPAG-QUCCMNQESA-N 2 1 337.398 3.043 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(F)c1 ZINC000591570871 459404531 /nfs/dbraw/zinc/40/45/31/459404531.db2.gz YIERTWMZMMBPAG-ICSRJNTNSA-N 2 1 337.398 3.043 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000623430372 460544764 /nfs/dbraw/zinc/54/47/64/460544764.db2.gz MQOJARRUTFDAHZ-UKRRQHHQSA-N 2 1 338.879 3.486 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000623430372 460544772 /nfs/dbraw/zinc/54/47/72/460544772.db2.gz MQOJARRUTFDAHZ-UKRRQHHQSA-N 2 1 338.879 3.486 20 30 EGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629657238 460851461 /nfs/dbraw/zinc/85/14/61/460851461.db2.gz VCNILYLNMLJWJA-ZBFHGGJFSA-N 2 1 328.378 3.211 20 30 EGEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629657238 460851467 /nfs/dbraw/zinc/85/14/67/460851467.db2.gz VCNILYLNMLJWJA-ZBFHGGJFSA-N 2 1 328.378 3.211 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000280237316 547371926 /nfs/dbraw/zinc/37/19/26/547371926.db2.gz VTAFDKGGNWCROA-GOSISDBHSA-N 2 1 330.472 3.321 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000104181512 1293019954 /nfs/dbraw/zinc/01/99/54/1293019954.db2.gz UBTCPPLMSJAXTA-MRXNPFEDSA-N 2 1 332.492 3.321 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000164772327 1294352612 /nfs/dbraw/zinc/35/26/12/1294352612.db2.gz JQIOASXFAZAKQR-XLIONFOSSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000164772327 1294352619 /nfs/dbraw/zinc/35/26/19/1294352619.db2.gz JQIOASXFAZAKQR-XLIONFOSSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000164772327 1294352626 /nfs/dbraw/zinc/35/26/26/1294352626.db2.gz JQIOASXFAZAKQR-XLIONFOSSA-N 2 1 344.499 3.436 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000237514472 1296248204 /nfs/dbraw/zinc/24/82/04/1296248204.db2.gz FHTPBKLWROLNAW-KSZLIROESA-N 2 1 329.488 3.435 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(O)c(OC)c1 ZINC000246563331 1296360737 /nfs/dbraw/zinc/36/07/37/1296360737.db2.gz LSJQHBFGMQKFHZ-FUHWJXTLSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(O)c(OC)c1 ZINC000246563331 1296360744 /nfs/dbraw/zinc/36/07/44/1296360744.db2.gz LSJQHBFGMQKFHZ-FUHWJXTLSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(O)c(OC)c1 ZINC000246563331 1296360755 /nfs/dbraw/zinc/36/07/55/1296360755.db2.gz LSJQHBFGMQKFHZ-FUHWJXTLSA-N 2 1 330.472 3.045 20 30 EGEDMP C[NH+]=C(NCC1CCCC1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262345607 1296627100 /nfs/dbraw/zinc/62/71/00/1296627100.db2.gz DFEQLNYTQPWNBI-FUHWJXTLSA-N 2 1 348.560 3.486 20 30 EGEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000303789692 1296856982 /nfs/dbraw/zinc/85/69/82/1296856982.db2.gz VNRUDOICVZQOLI-YESZJQIVSA-N 2 1 346.519 3.426 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1C ZINC000303883888 1296867002 /nfs/dbraw/zinc/86/70/02/1296867002.db2.gz MKIFJOJJBQDXED-QGZVFWFLSA-N 2 1 336.483 3.477 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1C ZINC000303883888 1296867016 /nfs/dbraw/zinc/86/70/16/1296867016.db2.gz MKIFJOJJBQDXED-QGZVFWFLSA-N 2 1 336.483 3.477 20 30 EGEDMP C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000304747685 1296939565 /nfs/dbraw/zinc/93/95/65/1296939565.db2.gz GQBULGPDSDGSCY-VXGBXAGGSA-N 2 1 343.302 3.301 20 30 EGEDMP C#C[C@H](C)[NH+](C)Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)C#C ZINC000769978350 1303201215 /nfs/dbraw/zinc/20/12/15/1303201215.db2.gz XEMAHAIJZKVKJC-GJZGRUSLSA-N 2 1 347.300 3.356 20 30 EGEDMP C#C[C@H](C)[NH+](C)Cc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C#C ZINC000769978350 1303201221 /nfs/dbraw/zinc/20/12/21/1303201221.db2.gz XEMAHAIJZKVKJC-GJZGRUSLSA-N 2 1 347.300 3.356 20 30 EGEDMP C#C[C@H](C)[NH+](C)Cc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C#C ZINC000769978350 1303201228 /nfs/dbraw/zinc/20/12/28/1303201228.db2.gz XEMAHAIJZKVKJC-GJZGRUSLSA-N 2 1 347.300 3.356 20 30 EGEDMP C=CC[N@H+](CCc1ccco1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779169203 1304538484 /nfs/dbraw/zinc/53/84/84/1304538484.db2.gz PQIVNWOTZQZUOD-UHFFFAOYSA-N 2 1 339.483 3.262 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961403572 1319559683 /nfs/dbraw/zinc/55/96/83/1319559683.db2.gz WQPCDIHTEUTDHK-WOJBJXKFSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000819023344 1319616470 /nfs/dbraw/zinc/61/64/70/1319616470.db2.gz FWALHUCUASRYAF-KRWDZBQOSA-N 2 1 326.843 3.143 20 30 EGEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000924776343 1323158012 /nfs/dbraw/zinc/15/80/12/1323158012.db2.gz LMQQXSTUTBQUBB-SJORKVTESA-N 2 1 329.488 3.325 20 30 EGEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000924776343 1323158029 /nfs/dbraw/zinc/15/80/29/1323158029.db2.gz LMQQXSTUTBQUBB-SJORKVTESA-N 2 1 329.488 3.325 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024691867 1323606664 /nfs/dbraw/zinc/60/66/64/1323606664.db2.gz CNEQOUXZHDWGPQ-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691867 1323606671 /nfs/dbraw/zinc/60/66/71/1323606671.db2.gz CNEQOUXZHDWGPQ-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691867 1323606676 /nfs/dbraw/zinc/60/66/76/1323606676.db2.gz CNEQOUXZHDWGPQ-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001025300981 1324134393 /nfs/dbraw/zinc/13/43/93/1324134393.db2.gz GRHDATYHHXFLRB-UXHICEINSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CC[C@H](CO)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000925700174 1325264579 /nfs/dbraw/zinc/26/45/79/1325264579.db2.gz ZTLLQUGZMOUQSR-UDEWTMQYSA-N 2 1 328.500 3.346 20 30 EGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000927166784 1327903470 /nfs/dbraw/zinc/90/34/70/1327903470.db2.gz YVRKTIMBBIEEOG-HNNXBMFYSA-N 2 1 346.438 3.210 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820485 1333697437 /nfs/dbraw/zinc/69/74/37/1333697437.db2.gz JUFGDWQTROXTCV-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820485 1333697439 /nfs/dbraw/zinc/69/74/39/1333697439.db2.gz JUFGDWQTROXTCV-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968856714 1336069827 /nfs/dbraw/zinc/06/98/27/1336069827.db2.gz NCKRQWYMQDFNBW-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968856714 1336069829 /nfs/dbraw/zinc/06/98/29/1336069829.db2.gz NCKRQWYMQDFNBW-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968856714 1336069831 /nfs/dbraw/zinc/06/98/31/1336069831.db2.gz NCKRQWYMQDFNBW-RTBURBONSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888266 1336080460 /nfs/dbraw/zinc/08/04/60/1336080460.db2.gz RYQXUXCVUHFZHA-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888266 1336080462 /nfs/dbraw/zinc/08/04/62/1336080462.db2.gz RYQXUXCVUHFZHA-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968888266 1336080464 /nfs/dbraw/zinc/08/04/64/1336080464.db2.gz RYQXUXCVUHFZHA-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928180 1336092970 /nfs/dbraw/zinc/09/29/70/1336092970.db2.gz DTNQRGLFDRUSJO-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928180 1336092972 /nfs/dbraw/zinc/09/29/72/1336092972.db2.gz DTNQRGLFDRUSJO-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928180 1336092973 /nfs/dbraw/zinc/09/29/73/1336092973.db2.gz DTNQRGLFDRUSJO-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936141 1336095970 /nfs/dbraw/zinc/09/59/70/1336095970.db2.gz BSIUNRNQLCXITC-GOSISDBHSA-N 2 1 340.471 3.275 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001034210592 1342320525 /nfs/dbraw/zinc/32/05/25/1342320525.db2.gz IAUYMLUHOWRCIE-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001034210592 1342320530 /nfs/dbraw/zinc/32/05/30/1342320530.db2.gz IAUYMLUHOWRCIE-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001034210592 1342320532 /nfs/dbraw/zinc/32/05/32/1342320532.db2.gz IAUYMLUHOWRCIE-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034545283 1342606835 /nfs/dbraw/zinc/60/68/35/1342606835.db2.gz PZTPKHJEZHCEDR-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039448077 1345073022 /nfs/dbraw/zinc/07/30/22/1345073022.db2.gz VZRUTIBTKADCNG-HSALFYBXSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039448077 1345073025 /nfs/dbraw/zinc/07/30/25/1345073025.db2.gz VZRUTIBTKADCNG-HSALFYBXSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001041424629 1345725373 /nfs/dbraw/zinc/72/53/73/1345725373.db2.gz NANWZGQHOXHCAW-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424629 1345725378 /nfs/dbraw/zinc/72/53/78/1345725378.db2.gz NANWZGQHOXHCAW-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001041424629 1345725385 /nfs/dbraw/zinc/72/53/85/1345725385.db2.gz NANWZGQHOXHCAW-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049760674 1348005641 /nfs/dbraw/zinc/00/56/41/1348005641.db2.gz AXXJZFKGZIOIBN-XUVXKRRUSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049914115 1348108797 /nfs/dbraw/zinc/10/87/97/1348108797.db2.gz MTXXHSXSPDQKFG-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052446621 1348543242 /nfs/dbraw/zinc/54/32/42/1348543242.db2.gz MHLSURLQWXYHPS-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446621 1348543244 /nfs/dbraw/zinc/54/32/44/1348543244.db2.gz MHLSURLQWXYHPS-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052446621 1348543247 /nfs/dbraw/zinc/54/32/47/1348543247.db2.gz MHLSURLQWXYHPS-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCCC)CC1 ZINC001052989375 1348789772 /nfs/dbraw/zinc/78/97/72/1348789772.db2.gz CHUSIPWWQDEDDW-KDURUIRLSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267507 1349264857 /nfs/dbraw/zinc/26/48/57/1349264857.db2.gz YBSULQRGMXIUFT-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267507 1349264862 /nfs/dbraw/zinc/26/48/62/1349264862.db2.gz YBSULQRGMXIUFT-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267507 1349264864 /nfs/dbraw/zinc/26/48/64/1349264864.db2.gz YBSULQRGMXIUFT-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)cc2C1 ZINC001054292355 1349298158 /nfs/dbraw/zinc/29/81/58/1349298158.db2.gz BBKKVMLZJVHAQG-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292355 1349298160 /nfs/dbraw/zinc/29/81/60/1349298160.db2.gz BBKKVMLZJVHAQG-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3CC)cc2C1 ZINC001054292355 1349298164 /nfs/dbraw/zinc/29/81/64/1349298164.db2.gz BBKKVMLZJVHAQG-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258014 1363718735 /nfs/dbraw/zinc/71/87/35/1363718735.db2.gz NFYKLRHDPZQMET-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001099258014 1363718736 /nfs/dbraw/zinc/71/87/36/1363718736.db2.gz NFYKLRHDPZQMET-QGZVFWFLSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086927347 1359252665 /nfs/dbraw/zinc/25/26/65/1359252665.db2.gz ZTPQVEAPNAVEBR-RTBURBONSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC(C)(C)C1 ZINC001089472335 1360455787 /nfs/dbraw/zinc/45/57/87/1360455787.db2.gz GOWXOLUSWWUUHN-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472335 1360455790 /nfs/dbraw/zinc/45/57/90/1360455790.db2.gz GOWXOLUSWWUUHN-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC(C)(C)C1 ZINC001089472335 1360455792 /nfs/dbraw/zinc/45/57/92/1360455792.db2.gz GOWXOLUSWWUUHN-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC(C)(C)C1 ZINC001089560702 1360508460 /nfs/dbraw/zinc/50/84/60/1360508460.db2.gz FFUXFGKMIXOVPI-LJQANCHMSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC001094493702 1361829862 /nfs/dbraw/zinc/82/98/62/1361829862.db2.gz MNGSWURSHAZSDD-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094493702 1361829865 /nfs/dbraw/zinc/82/98/65/1361829865.db2.gz MNGSWURSHAZSDD-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC001094493702 1361829867 /nfs/dbraw/zinc/82/98/67/1361829867.db2.gz MNGSWURSHAZSDD-QKNQBKEWSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098191452 1363250268 /nfs/dbraw/zinc/25/02/68/1363250268.db2.gz GTUSYABYQUZTQD-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098191452 1363250272 /nfs/dbraw/zinc/25/02/72/1363250272.db2.gz GTUSYABYQUZTQD-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098191452 1363250274 /nfs/dbraw/zinc/25/02/74/1363250274.db2.gz GTUSYABYQUZTQD-YSTOQKLRSA-N 2 1 347.547 3.329 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529092 1363834642 /nfs/dbraw/zinc/83/46/42/1363834642.db2.gz LFVRQCJPPBCLPQ-HAGHYFMRSA-N 2 1 349.563 3.077 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001101550548 1364613433 /nfs/dbraw/zinc/61/34/33/1364613433.db2.gz NSPGVONAQQSIBU-RTBURBONSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185447329 1387719521 /nfs/dbraw/zinc/71/95/21/1387719521.db2.gz ROLQGXITWYLGGJ-OALUTQOASA-N 2 1 339.568 3.373 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105518295 1366505279 /nfs/dbraw/zinc/50/52/79/1366505279.db2.gz WELJDJSSCLWOGQ-OALUTQOASA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@@H+]2CCC[C@H]2C)CCC1 ZINC001105560845 1366530539 /nfs/dbraw/zinc/53/05/39/1366530539.db2.gz DIJLYHPTLJTDBH-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578656 1366542068 /nfs/dbraw/zinc/54/20/68/1366542068.db2.gz DCIHCPDSZLWPAL-GOSISDBHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109272650 1367036521 /nfs/dbraw/zinc/03/65/21/1367036521.db2.gz OFLUCGUENFGLKO-FYQPLNBISA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109272650 1367036526 /nfs/dbraw/zinc/03/65/26/1367036526.db2.gz OFLUCGUENFGLKO-FYQPLNBISA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109272650 1367036530 /nfs/dbraw/zinc/03/65/30/1367036530.db2.gz OFLUCGUENFGLKO-FYQPLNBISA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CCC[C@@H]12 ZINC001107566564 1367047547 /nfs/dbraw/zinc/04/75/47/1367047547.db2.gz AGAZXQKPJKKGOG-SFHLNBCPSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587765 1367059382 /nfs/dbraw/zinc/05/93/82/1367059382.db2.gz VQCIMRVKQCVIHP-TZIWHRDSSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324752 1367227087 /nfs/dbraw/zinc/22/70/87/1367227087.db2.gz NONQGUSGANRGRW-VQTJNVASSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109878217 1367377553 /nfs/dbraw/zinc/37/75/53/1367377553.db2.gz MNNTYHOHFUOVCP-AABGKKOBSA-N 2 1 349.563 3.410 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082175 1367420442 /nfs/dbraw/zinc/42/04/42/1367420442.db2.gz VETANKBZUGWMKO-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082175 1367420446 /nfs/dbraw/zinc/42/04/46/1367420446.db2.gz VETANKBZUGWMKO-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082175 1367420450 /nfs/dbraw/zinc/42/04/50/1367420450.db2.gz VETANKBZUGWMKO-WOJBJXKFSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082173 1367420824 /nfs/dbraw/zinc/42/08/24/1367420824.db2.gz VETANKBZUGWMKO-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082173 1367420827 /nfs/dbraw/zinc/42/08/27/1367420827.db2.gz VETANKBZUGWMKO-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082173 1367420828 /nfs/dbraw/zinc/42/08/28/1367420828.db2.gz VETANKBZUGWMKO-VQTJNVASSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001111835201 1368490195 /nfs/dbraw/zinc/49/01/95/1368490195.db2.gz BBESPOULZGPCBV-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001111835201 1368490197 /nfs/dbraw/zinc/49/01/97/1368490197.db2.gz BBESPOULZGPCBV-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835201 1368490200 /nfs/dbraw/zinc/49/02/00/1368490200.db2.gz BBESPOULZGPCBV-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001111835201 1368490203 /nfs/dbraw/zinc/49/02/03/1368490203.db2.gz BBESPOULZGPCBV-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)n2ccnc2CC)CC1 ZINC001195900300 1368513236 /nfs/dbraw/zinc/51/32/36/1368513236.db2.gz KMNWPHBYFRWRIV-QZTJIDSGSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900300 1368513241 /nfs/dbraw/zinc/51/32/41/1368513241.db2.gz KMNWPHBYFRWRIV-QZTJIDSGSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900300 1368513243 /nfs/dbraw/zinc/51/32/43/1368513243.db2.gz KMNWPHBYFRWRIV-QZTJIDSGSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001111870529 1368518128 /nfs/dbraw/zinc/51/81/28/1368518128.db2.gz AYCKJICSFMROCB-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870529 1368518129 /nfs/dbraw/zinc/51/81/29/1368518129.db2.gz AYCKJICSFMROCB-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001111870529 1368518131 /nfs/dbraw/zinc/51/81/31/1368518131.db2.gz AYCKJICSFMROCB-ZJOUEHCJSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001111870700 1368518398 /nfs/dbraw/zinc/51/83/98/1368518398.db2.gz KGCDLGYJXYIPJF-DYXWJJEUSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001111870700 1368518400 /nfs/dbraw/zinc/51/84/00/1368518400.db2.gz KGCDLGYJXYIPJF-DYXWJJEUSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001111870700 1368518404 /nfs/dbraw/zinc/51/84/04/1368518404.db2.gz KGCDLGYJXYIPJF-DYXWJJEUSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001196009981 1368534272 /nfs/dbraw/zinc/53/42/72/1368534272.db2.gz IJGPCVTYKYZHOU-GOSISDBHSA-N 2 1 343.531 3.171 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984546 1368591473 /nfs/dbraw/zinc/59/14/73/1368591473.db2.gz BYFGWKYKGFQYGF-ICSRJNTNSA-N 2 1 346.519 3.133 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984546 1368591476 /nfs/dbraw/zinc/59/14/76/1368591476.db2.gz BYFGWKYKGFQYGF-ICSRJNTNSA-N 2 1 346.519 3.133 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112020550 1368622874 /nfs/dbraw/zinc/62/28/74/1368622874.db2.gz NEPBANBYIFYNAP-FPOVZHCZSA-N 2 1 347.547 3.189 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112585604 1368938427 /nfs/dbraw/zinc/93/84/27/1368938427.db2.gz HRUMDCOOMVZVOQ-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001114502672 1369977368 /nfs/dbraw/zinc/97/73/68/1369977368.db2.gz ZBMHPFFOHDZSSG-ZGXWSNOMSA-N 2 1 349.563 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001114502672 1369977372 /nfs/dbraw/zinc/97/73/72/1369977372.db2.gz ZBMHPFFOHDZSSG-ZGXWSNOMSA-N 2 1 349.563 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001114502672 1369977376 /nfs/dbraw/zinc/97/73/76/1369977376.db2.gz ZBMHPFFOHDZSSG-ZGXWSNOMSA-N 2 1 349.563 3.124 20 30 EGEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203103808 1369984109 /nfs/dbraw/zinc/98/41/09/1369984109.db2.gz MIOVKJYJDWXZLO-ZWKOTPCHSA-N 2 1 347.547 3.233 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C12CCC2 ZINC001203230249 1370032954 /nfs/dbraw/zinc/03/29/54/1370032954.db2.gz LBBQWXCJXNNFAD-RTBURBONSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577902 1370177618 /nfs/dbraw/zinc/17/76/18/1370177618.db2.gz UDHUFZRVBABURS-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203652388 1370202133 /nfs/dbraw/zinc/20/21/33/1370202133.db2.gz UGYBYHWBSPHNST-MSOLQXFVSA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115730955 1370714228 /nfs/dbraw/zinc/71/42/28/1370714228.db2.gz VORXKCKANWIOSQ-UHFFFAOYSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768988 1370753480 /nfs/dbraw/zinc/75/34/80/1370753480.db2.gz QRZZSIWHYJFZSK-RBUKOAKNSA-N 2 1 347.547 3.378 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)CC[C@@H]1C[NH3+] ZINC001205627205 1370816194 /nfs/dbraw/zinc/81/61/94/1370816194.db2.gz NVZCKRJHDJOOSK-GXTWGEPZSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)CC[C@H]1C[NH3+] ZINC001205627206 1370816811 /nfs/dbraw/zinc/81/68/11/1370816811.db2.gz NVZCKRJHDJOOSK-JSGCOSHPSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CCC[C@H]1C[NH3+] ZINC001206002898 1370934767 /nfs/dbraw/zinc/93/47/67/1370934767.db2.gz CJWMWDCLRDNBRX-JSGCOSHPSA-N 2 1 336.277 3.128 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006828 1370936222 /nfs/dbraw/zinc/93/62/22/1370936222.db2.gz SLUIBDYZXXUUHU-QUCCMNQESA-N 2 1 349.563 3.291 20 30 EGEDMP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1C#N ZINC001207108970 1371295330 /nfs/dbraw/zinc/29/53/30/1371295330.db2.gz QORBRPCGHLYNCL-SFTDATJTSA-N 2 1 348.494 3.241 20 30 EGEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1C#N ZINC001207108970 1371295336 /nfs/dbraw/zinc/29/53/36/1371295336.db2.gz QORBRPCGHLYNCL-SFTDATJTSA-N 2 1 348.494 3.241 20 30 EGEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1C#N ZINC001207108970 1371295340 /nfs/dbraw/zinc/29/53/40/1371295340.db2.gz QORBRPCGHLYNCL-SFTDATJTSA-N 2 1 348.494 3.241 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208361449 1371735746 /nfs/dbraw/zinc/73/57/46/1371735746.db2.gz DUAHCIICNFMRDW-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001208601669 1371836196 /nfs/dbraw/zinc/83/61/96/1371836196.db2.gz QFEUIMSDKLLDGG-LJQANCHMSA-N 2 1 327.472 3.133 20 30 EGEDMP N#Cc1ccc(CC[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001208925779 1371947430 /nfs/dbraw/zinc/94/74/30/1371947430.db2.gz RIRMPBZKSNGGPJ-RTBURBONSA-N 2 1 337.492 3.226 20 30 EGEDMP C=CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2CC2CC2)C1 ZINC001209160946 1372018498 /nfs/dbraw/zinc/01/84/98/1372018498.db2.gz DRCIUGFETYGWMQ-AABGKKOBSA-N 2 1 328.504 3.024 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122057146 1372164635 /nfs/dbraw/zinc/16/46/35/1372164635.db2.gz WAWXDBMIWUUKED-PMRGXDQWSA-N 2 1 347.547 3.092 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889400 1373136645 /nfs/dbraw/zinc/13/66/45/1373136645.db2.gz KVUPJJYDFIFNNQ-GUDVDZBRSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223846304 1375045234 /nfs/dbraw/zinc/04/52/34/1375045234.db2.gz CFLBURWGFXXQBX-MOPGFXCFSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223846304 1375045238 /nfs/dbraw/zinc/04/52/38/1375045238.db2.gz CFLBURWGFXXQBX-MOPGFXCFSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001223846304 1375045244 /nfs/dbraw/zinc/04/52/44/1375045244.db2.gz CFLBURWGFXXQBX-MOPGFXCFSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCCCC[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001225245198 1375099305 /nfs/dbraw/zinc/09/93/05/1375099305.db2.gz RNYVDCXGQKVNTB-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150965 1375171412 /nfs/dbraw/zinc/17/14/12/1375171412.db2.gz ZWPGKZBDMITBJD-OALUTQOASA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227082912 1375386010 /nfs/dbraw/zinc/38/60/10/1375386010.db2.gz LCWRXFKRFNEUFZ-QRVBRYPASA-N 2 1 337.552 3.458 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133120904 1375786825 /nfs/dbraw/zinc/78/68/25/1375786825.db2.gz CDWCIIPJRTUJKS-ZWKOTPCHSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133186664 1375832004 /nfs/dbraw/zinc/83/20/04/1375832004.db2.gz YNCDJLCDIZNWGI-RBUKOAKNSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001229544380 1375853226 /nfs/dbraw/zinc/85/32/26/1375853226.db2.gz GRWRBVGCTXMNDY-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001133347360 1375936183 /nfs/dbraw/zinc/93/61/83/1375936183.db2.gz WDSMRRXNKWKLPW-RTBURBONSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001230598402 1376093367 /nfs/dbraw/zinc/09/33/67/1376093367.db2.gz NOFHZHOAVQVHIP-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134608626 1376623592 /nfs/dbraw/zinc/62/35/92/1376623592.db2.gz XYYQQDZDHROZCK-SJORKVTESA-N 2 1 325.541 3.314 20 30 EGEDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2cc(C#N)ccc21 ZINC001235430043 1376872562 /nfs/dbraw/zinc/87/25/62/1376872562.db2.gz WDVBIXXYYKVLTO-QZTJIDSGSA-N 2 1 336.483 3.262 20 30 EGEDMP N#Cc1ccccc1O[C@H]1CCC[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235970007 1376924635 /nfs/dbraw/zinc/92/46/35/1376924635.db2.gz XINPMGMNFNUJLM-IBGZPJMESA-N 2 1 339.483 3.181 20 30 EGEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135601777 1377159697 /nfs/dbraw/zinc/15/96/97/1377159697.db2.gz XUZYCLQSYZUPFF-IAGOWNOFSA-N 2 1 334.508 3.236 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266251837 1377249052 /nfs/dbraw/zinc/24/90/52/1377249052.db2.gz HIMLCISSXXNDRD-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP CN1CCC([N@H+](C)Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139423649 1377881368 /nfs/dbraw/zinc/88/13/68/1377881368.db2.gz GRPWNNOAWLVHMX-UHFFFAOYSA-N 2 1 336.439 3.272 20 30 EGEDMP CN1CCC([N@@H+](C)Cc2ccc(Oc3ccc(C#N)cc3)nc2)CC1 ZINC001139423649 1377881375 /nfs/dbraw/zinc/88/13/75/1377881375.db2.gz GRPWNNOAWLVHMX-UHFFFAOYSA-N 2 1 336.439 3.272 20 30 EGEDMP C[NH+]1CCC2(C[NH+](Cc3ccc(Oc4ccc(C#N)cc4)nc3)C2)CC1 ZINC001139427582 1377882297 /nfs/dbraw/zinc/88/22/97/1377882297.db2.gz LMYJOFSWXFTDGI-UHFFFAOYSA-N 2 1 348.450 3.273 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147741943 1379070625 /nfs/dbraw/zinc/07/06/25/1379070625.db2.gz AUIAYMIWIGWQKA-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147741943 1379070630 /nfs/dbraw/zinc/07/06/30/1379070630.db2.gz AUIAYMIWIGWQKA-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001147741943 1379070634 /nfs/dbraw/zinc/07/06/34/1379070634.db2.gz AUIAYMIWIGWQKA-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458291 1379176040 /nfs/dbraw/zinc/17/60/40/1379176040.db2.gz MFZIOGJWYYSLEJ-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458291 1379176041 /nfs/dbraw/zinc/17/60/41/1379176041.db2.gz MFZIOGJWYYSLEJ-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458291 1379176044 /nfs/dbraw/zinc/17/60/44/1379176044.db2.gz MFZIOGJWYYSLEJ-IBGZPJMESA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148811574 1379273283 /nfs/dbraw/zinc/27/32/83/1379273283.db2.gz DPZDOQGGGUYHKL-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148811574 1379273284 /nfs/dbraw/zinc/27/32/84/1379273284.db2.gz DPZDOQGGGUYHKL-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001148811574 1379273286 /nfs/dbraw/zinc/27/32/86/1379273286.db2.gz DPZDOQGGGUYHKL-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362296 1380064820 /nfs/dbraw/zinc/06/48/20/1380064820.db2.gz OAYYGMMHXKCLEF-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362296 1380064823 /nfs/dbraw/zinc/06/48/23/1380064823.db2.gz OAYYGMMHXKCLEF-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362296 1380064827 /nfs/dbraw/zinc/06/48/27/1380064827.db2.gz OAYYGMMHXKCLEF-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153829137 1380138985 /nfs/dbraw/zinc/13/89/85/1380138985.db2.gz ZRFFYGKCTXRNLX-QGZVFWFLSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844616 1380363465 /nfs/dbraw/zinc/36/34/65/1380363465.db2.gz QEAYWAPPFQDYTJ-OTWHNJEPSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844616 1380363468 /nfs/dbraw/zinc/36/34/68/1380363468.db2.gz QEAYWAPPFQDYTJ-OTWHNJEPSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844616 1380363470 /nfs/dbraw/zinc/36/34/70/1380363470.db2.gz QEAYWAPPFQDYTJ-OTWHNJEPSA-N 2 1 337.552 3.290 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844696 1380363683 /nfs/dbraw/zinc/36/36/83/1380363683.db2.gz VJGYRGTVEBGMAP-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844696 1380363688 /nfs/dbraw/zinc/36/36/88/1380363688.db2.gz VJGYRGTVEBGMAP-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844696 1380363693 /nfs/dbraw/zinc/36/36/93/1380363693.db2.gz VJGYRGTVEBGMAP-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001157973452 1381089361 /nfs/dbraw/zinc/08/93/61/1381089361.db2.gz DKXLCMJHKUQJQK-ZWKOTPCHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001157973452 1381089364 /nfs/dbraw/zinc/08/93/64/1381089364.db2.gz DKXLCMJHKUQJQK-ZWKOTPCHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001158768193 1381389815 /nfs/dbraw/zinc/38/98/15/1381389815.db2.gz NUOVLGRNVQENRM-RBUKOAKNSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160467488 1382115029 /nfs/dbraw/zinc/11/50/29/1382115029.db2.gz UTIPXFKJZRUIBP-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160467488 1382115031 /nfs/dbraw/zinc/11/50/31/1382115031.db2.gz UTIPXFKJZRUIBP-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160467488 1382115035 /nfs/dbraw/zinc/11/50/35/1382115035.db2.gz UTIPXFKJZRUIBP-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160478840 1382117534 /nfs/dbraw/zinc/11/75/34/1382117534.db2.gz AQACQRASQNHKHF-LJQANCHMSA-N 2 1 337.552 3.435 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161679238 1382478495 /nfs/dbraw/zinc/47/84/95/1382478495.db2.gz UPXQODVSUOIAJR-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679238 1382478496 /nfs/dbraw/zinc/47/84/96/1382478496.db2.gz UPXQODVSUOIAJR-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679238 1382478497 /nfs/dbraw/zinc/47/84/97/1382478497.db2.gz UPXQODVSUOIAJR-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161678738 1382478537 /nfs/dbraw/zinc/47/85/37/1382478537.db2.gz KXRFDYCVXFVKOF-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161678738 1382478538 /nfs/dbraw/zinc/47/85/38/1382478538.db2.gz KXRFDYCVXFVKOF-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CCCC)CC1 ZINC001161678738 1382478539 /nfs/dbraw/zinc/47/85/39/1382478539.db2.gz KXRFDYCVXFVKOF-FQEVSTJZSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001165809476 1383348928 /nfs/dbraw/zinc/34/89/28/1383348928.db2.gz GIKKMWONVSKKAU-UHFFFAOYSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927232 1383366238 /nfs/dbraw/zinc/36/62/38/1383366238.db2.gz WNUVPXUVQWABHZ-RBUKOAKNSA-N 2 1 349.563 3.338 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001166802814 1383479942 /nfs/dbraw/zinc/47/99/42/1383479942.db2.gz KWYYGAYCRNOHAT-IBGZPJMESA-N 2 1 347.547 3.236 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167699312 1383715133 /nfs/dbraw/zinc/71/51/33/1383715133.db2.gz HUHCSGUUMOIENX-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001171223798 1384473322 /nfs/dbraw/zinc/47/33/22/1384473322.db2.gz NUUNLTPMBNZAIO-KRWDZBQOSA-N 2 1 341.499 3.064 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001171223798 1384473326 /nfs/dbraw/zinc/47/33/26/1384473326.db2.gz NUUNLTPMBNZAIO-KRWDZBQOSA-N 2 1 341.499 3.064 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171238691 1384477112 /nfs/dbraw/zinc/47/71/12/1384477112.db2.gz YHPCFTVZVNGDFE-RBUKOAKNSA-N 2 1 337.552 3.195 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001171247597 1384477788 /nfs/dbraw/zinc/47/77/88/1384477788.db2.gz MUKXMTRVBSENDA-PKOBYXMFSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)C(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171970369 1384697949 /nfs/dbraw/zinc/69/79/49/1384697949.db2.gz CDFXPILKZXKLOS-IBGZPJMESA-N 2 1 343.515 3.102 20 30 EGEDMP COc1cccc(C2([NH3+])CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)c1 ZINC001172300155 1384763039 /nfs/dbraw/zinc/76/30/39/1384763039.db2.gz ROVUCQXFZBNYMN-KRWDZBQOSA-N 2 1 349.478 3.448 20 30 EGEDMP C[C@@H](CCCC#N)[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001172495352 1384804909 /nfs/dbraw/zinc/80/49/09/1384804909.db2.gz PJIQMJWWRLSIRW-ZWKOTPCHSA-N 2 1 345.487 3.417 20 30 EGEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001172499777 1384805302 /nfs/dbraw/zinc/80/53/02/1384805302.db2.gz UBUADHSKIPUOAI-IBGZPJMESA-N 2 1 341.499 3.436 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759263 1385686134 /nfs/dbraw/zinc/68/61/34/1385686134.db2.gz HPKIKCBIRGLHRN-HKUYNNGSSA-N 2 1 331.504 3.130 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001176760209 1385686584 /nfs/dbraw/zinc/68/65/84/1385686584.db2.gz RMYSXEBIYNBBJX-PKOBYXMFSA-N 2 1 331.504 3.130 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001177394976 1385941840 /nfs/dbraw/zinc/94/18/40/1385941840.db2.gz WXHWCIARLUCQDZ-ICSRJNTNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177484680 1385973961 /nfs/dbraw/zinc/97/39/61/1385973961.db2.gz HQLFXRGMQAWDPG-HDICACEKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(Cl)C[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488427 1385975785 /nfs/dbraw/zinc/97/57/85/1385975785.db2.gz CCUBWLUXPUCYIA-UHFFFAOYSA-N 2 1 343.943 3.078 20 30 EGEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490746 1386233924 /nfs/dbraw/zinc/23/39/24/1386233924.db2.gz SEZTZDVAGVJIRH-SFHVURJKSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178833310 1386321818 /nfs/dbraw/zinc/32/18/18/1386321818.db2.gz SBOMFSUFFATWPY-IBGZPJMESA-N 2 1 337.552 3.483 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001179134065 1386407558 /nfs/dbraw/zinc/40/75/58/1386407558.db2.gz FZNDEUZEFRUOJK-UHFFFAOYSA-N 2 1 337.552 3.483 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001179357832 1386462065 /nfs/dbraw/zinc/46/20/65/1386462065.db2.gz MKOHHRXGAOYFOD-LJQANCHMSA-N 2 1 337.552 3.341 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179720127 1386564444 /nfs/dbraw/zinc/56/44/44/1386564444.db2.gz ZFKVYIJQTRRKES-HKUYNNGSSA-N 2 1 346.519 3.297 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001180375410 1386778341 /nfs/dbraw/zinc/77/83/41/1386778341.db2.gz CVZDANJLWSSDNH-LJQANCHMSA-N 2 1 331.504 3.132 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001181728275 1387046652 /nfs/dbraw/zinc/04/66/52/1387046652.db2.gz KDFYSCXVSJGREB-YFVAEKQCSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001723633040 1424499690 /nfs/dbraw/zinc/49/96/90/1424499690.db2.gz CMWKLUNJCGDXRR-AABGKKOBSA-N 2 1 349.563 3.384 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001753550441 1440434888 /nfs/dbraw/zinc/43/48/88/1440434888.db2.gz RBPBWJFKKKFCBS-UXHICEINSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001753581447 1440440188 /nfs/dbraw/zinc/44/01/88/1440440188.db2.gz OQBZDLGLBGDMCH-QAQDUYKDSA-N 2 1 335.536 3.233 20 30 EGEDMP CCCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001754547184 1440628204 /nfs/dbraw/zinc/62/82/04/1440628204.db2.gz SKFVDWAMOYQGAM-UMQXSMKFSA-N 2 1 349.563 3.410 20 30 EGEDMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCCC1 ZINC001754547892 1440628630 /nfs/dbraw/zinc/62/86/30/1440628630.db2.gz VLFJVGODTJBIRQ-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001754547892 1440628631 /nfs/dbraw/zinc/62/86/31/1440628631.db2.gz VLFJVGODTJBIRQ-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001754547892 1440628632 /nfs/dbraw/zinc/62/86/32/1440628632.db2.gz VLFJVGODTJBIRQ-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001754948338 1440714186 /nfs/dbraw/zinc/71/41/86/1440714186.db2.gz YKSUENXCLUEVNB-LPHOPBHVSA-N 2 1 329.488 3.014 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755138295 1440759274 /nfs/dbraw/zinc/75/92/74/1440759274.db2.gz KAYBDWJRQKGSHA-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138295 1440759275 /nfs/dbraw/zinc/75/92/75/1440759275.db2.gz KAYBDWJRQKGSHA-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138295 1440759276 /nfs/dbraw/zinc/75/92/76/1440759276.db2.gz KAYBDWJRQKGSHA-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001755142631 1440761594 /nfs/dbraw/zinc/76/15/94/1440761594.db2.gz SVDWHEMIFFTATE-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001755143487 1440762073 /nfs/dbraw/zinc/76/20/73/1440762073.db2.gz JUEYKZFJLRFHNZ-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001755143487 1440762074 /nfs/dbraw/zinc/76/20/74/1440762074.db2.gz JUEYKZFJLRFHNZ-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001755143487 1440762075 /nfs/dbraw/zinc/76/20/75/1440762075.db2.gz JUEYKZFJLRFHNZ-QZTJIDSGSA-N 2 1 337.552 3.125 20 30 EGEDMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001755536315 1440869704 /nfs/dbraw/zinc/86/97/04/1440869704.db2.gz NRCCFWFVIRUBPI-HXUWFJFHSA-N 2 1 349.563 3.386 20 30 EGEDMP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1C#N ZINC000174323092 533658040 /nfs/dbraw/zinc/65/80/40/533658040.db2.gz LEMXGUQWVNPLAS-UHFFFAOYSA-N 2 1 327.472 3.311 20 30 EGEDMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C#N)c(F)c1 ZINC000271954239 267180393 /nfs/dbraw/zinc/18/03/93/267180393.db2.gz PJLMAEOHPAZQGS-VHKYSDTDSA-N 2 1 345.462 3.116 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)C1 ZINC000190765013 455379400 /nfs/dbraw/zinc/37/94/00/455379400.db2.gz ABZYJEKJMXVTMX-KRWDZBQOSA-N 2 1 336.483 3.418 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000132322616 454328961 /nfs/dbraw/zinc/32/89/61/454328961.db2.gz SNAGJWGMNOLMFY-UHFFFAOYSA-N 2 1 346.425 3.485 20 30 EGEDMP CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H](C)C#N ZINC000091983482 454499753 /nfs/dbraw/zinc/49/97/53/454499753.db2.gz UGYYASXDDLBQHO-KRWDZBQOSA-N 2 1 328.504 3.199 20 30 EGEDMP CC[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C[C@@H](C)C#N ZINC000091983482 454499758 /nfs/dbraw/zinc/49/97/58/454499758.db2.gz UGYYASXDDLBQHO-KRWDZBQOSA-N 2 1 328.504 3.199 20 30 EGEDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(OCCCC#N)c3)CC[C@@H]21 ZINC000092043265 454507753 /nfs/dbraw/zinc/50/77/53/454507753.db2.gz PHJARDOJFWBHDH-QUCCMNQESA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CC[C@@H]21 ZINC000092043265 454507758 /nfs/dbraw/zinc/50/77/58/454507758.db2.gz PHJARDOJFWBHDH-QUCCMNQESA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CC[C@@H]21 ZINC000092043265 454507763 /nfs/dbraw/zinc/50/77/63/454507763.db2.gz PHJARDOJFWBHDH-QUCCMNQESA-N 2 1 327.472 3.285 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)C[C@H](C)O1 ZINC000048710000 454509298 /nfs/dbraw/zinc/50/92/98/454509298.db2.gz YVYMFYUFTIMUJE-HDICACEKSA-N 2 1 349.478 3.457 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)C1 ZINC000170911313 454998182 /nfs/dbraw/zinc/99/81/82/454998182.db2.gz UCOJABJZSDXOHZ-MRXNPFEDSA-N 2 1 337.471 3.240 20 30 EGEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170911320 454998890 /nfs/dbraw/zinc/99/88/90/454998890.db2.gz UZSINDXVQUJWRE-MRXNPFEDSA-N 2 1 337.471 3.240 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000264098781 455190732 /nfs/dbraw/zinc/19/07/32/455190732.db2.gz MIANSBDXFGYHHQ-QGZVFWFLSA-N 2 1 342.443 3.242 20 30 EGEDMP C=CCn1c(C)cc(C(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000247572105 455627420 /nfs/dbraw/zinc/62/74/20/455627420.db2.gz LLPRHIMDKIQQNC-BEFAXECRSA-N 2 1 340.471 3.253 20 30 EGEDMP CC(C)[N@@H+](C)CCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000269601423 455850472 /nfs/dbraw/zinc/85/04/72/455850472.db2.gz HPDDHTVMYBMYBU-UHFFFAOYSA-N 2 1 332.370 3.042 20 30 EGEDMP C=CCN1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272700887 456044427 /nfs/dbraw/zinc/04/44/27/456044427.db2.gz YOXNPDGKLOUXLL-UYAOXDASSA-N 2 1 327.516 3.137 20 30 EGEDMP C=CCOCCC[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000348030834 456439420 /nfs/dbraw/zinc/43/94/20/456439420.db2.gz JFHAKKQGUVURPT-UHFFFAOYSA-N 2 1 346.519 3.367 20 30 EGEDMP C=CCOCCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000348030834 456439426 /nfs/dbraw/zinc/43/94/26/456439426.db2.gz JFHAKKQGUVURPT-UHFFFAOYSA-N 2 1 346.519 3.367 20 30 EGEDMP C=CCOCCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000348030834 456439432 /nfs/dbraw/zinc/43/94/32/456439432.db2.gz JFHAKKQGUVURPT-UHFFFAOYSA-N 2 1 346.519 3.367 20 30 EGEDMP C=CCCC[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000341139118 456819262 /nfs/dbraw/zinc/81/92/62/456819262.db2.gz RNSUJESBUUKIOT-IPMKNSEASA-N 2 1 338.536 3.321 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1CC[NH+](CC3CCCC3)CC1)C2 ZINC000329770436 456938394 /nfs/dbraw/zinc/93/83/94/456938394.db2.gz GAJWVFJFCNFFMK-KRWDZBQOSA-N 2 1 344.503 3.365 20 30 EGEDMP N#CCSCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338286 458496298 /nfs/dbraw/zinc/49/62/98/458496298.db2.gz VZRBXMZWBSCABW-MOPGFXCFSA-N 2 1 329.513 3.087 20 30 EGEDMP N#CCSCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338286 458496301 /nfs/dbraw/zinc/49/63/01/458496301.db2.gz VZRBXMZWBSCABW-MOPGFXCFSA-N 2 1 329.513 3.087 20 30 EGEDMP N#CCSCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377338286 458496304 /nfs/dbraw/zinc/49/63/04/458496304.db2.gz VZRBXMZWBSCABW-MOPGFXCFSA-N 2 1 329.513 3.087 20 30 EGEDMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424141099 458568760 /nfs/dbraw/zinc/56/87/60/458568760.db2.gz WTTHKRFGTJUQQA-KRWDZBQOSA-N 2 1 339.443 3.014 20 30 EGEDMP C=C(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000470905635 458662885 /nfs/dbraw/zinc/66/28/85/458662885.db2.gz HEDBAWBERKWSKB-UHFFFAOYSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000470905635 458662890 /nfs/dbraw/zinc/66/28/90/458662890.db2.gz HEDBAWBERKWSKB-UHFFFAOYSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCCCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000488164525 459539627 /nfs/dbraw/zinc/53/96/27/459539627.db2.gz QQMGMHWOOFGVBR-RTBURBONSA-N 2 1 338.536 3.323 20 30 EGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1ccccc1C#N ZINC000603110055 460244586 /nfs/dbraw/zinc/24/45/86/460244586.db2.gz KYMCESYROXHVHC-UHFFFAOYSA-N 2 1 342.487 3.085 20 30 EGEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619754709 460431997 /nfs/dbraw/zinc/43/19/97/460431997.db2.gz ISSKOGGCSAZNGG-BEFAXECRSA-N 2 1 349.906 3.438 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619754709 460432003 /nfs/dbraw/zinc/43/20/03/460432003.db2.gz ISSKOGGCSAZNGG-BEFAXECRSA-N 2 1 349.906 3.438 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000631065965 461516088 /nfs/dbraw/zinc/51/60/88/461516088.db2.gz YLLVNVGULSMVGU-UHFFFAOYSA-N 2 1 343.515 3.294 20 30 EGEDMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000191439160 528070676 /nfs/dbraw/zinc/07/06/76/528070676.db2.gz FSNSKQXWRWCVSN-UHFFFAOYSA-N 2 1 342.531 3.186 20 30 EGEDMP CCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000134549643 1293776347 /nfs/dbraw/zinc/77/63/47/1293776347.db2.gz VMNCZBUWMFVTNE-CZUORRHYSA-N 2 1 340.874 3.176 20 30 EGEDMP CC[C@@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000180458050 1294890158 /nfs/dbraw/zinc/89/01/58/1294890158.db2.gz BKKHPBFRVKMBPP-SFHVURJKSA-N 2 1 345.487 3.339 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=[NH2+])NCC2CCC2)cc1 ZINC000303771061 1296848585 /nfs/dbraw/zinc/84/85/85/1296848585.db2.gz CHWVGNZLUVJALT-INIZCTEOSA-N 2 1 328.504 3.265 20 30 EGEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000303779668 1296852456 /nfs/dbraw/zinc/85/24/56/1296852456.db2.gz KUBLIQVDYBJESS-GOSISDBHSA-N 2 1 340.471 3.124 20 30 EGEDMP Cc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000303901541 1296876708 /nfs/dbraw/zinc/87/67/08/1296876708.db2.gz XLTOSJZHMHMIDX-IBGZPJMESA-N 2 1 336.483 3.286 20 30 EGEDMP COc1ccccc1[C@@H](CNC(=[NH2+])N1CCCCC1)[NH+]1CCCCC1 ZINC000303909261 1296879894 /nfs/dbraw/zinc/87/98/94/1296879894.db2.gz YBDXRJBUJQMKGJ-GOSISDBHSA-N 2 1 344.503 3.023 20 30 EGEDMP C[C@H](CCNC(=[NH2+])NCCc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000304519472 1296930151 /nfs/dbraw/zinc/93/01/51/1296930151.db2.gz WYOLXZZZRAOLBM-GOSISDBHSA-N 2 1 338.499 3.044 20 30 EGEDMP C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000304747679 1296938290 /nfs/dbraw/zinc/93/82/90/1296938290.db2.gz GQBULGPDSDGSCY-NWDGAFQWSA-N 2 1 343.302 3.301 20 30 EGEDMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NCC1CCC1 ZINC000304780588 1296943238 /nfs/dbraw/zinc/94/32/38/1296943238.db2.gz FYLBJCLCYCYGHF-UHFFFAOYSA-N 2 1 340.471 3.116 20 30 EGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=[NH2+])NCC1CCC1 ZINC000304780588 1296943251 /nfs/dbraw/zinc/94/32/51/1296943251.db2.gz FYLBJCLCYCYGHF-UHFFFAOYSA-N 2 1 340.471 3.116 20 30 EGEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000799178857 1310500350 /nfs/dbraw/zinc/50/03/50/1310500350.db2.gz NRUODAZQKKWKEF-UHFFFAOYSA-N 2 1 349.425 3.467 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)CC1 ZINC000957647587 1317519394 /nfs/dbraw/zinc/51/93/94/1317519394.db2.gz ODIXWSQAIXFCSG-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(C#N)c1 ZINC000902803258 1317618982 /nfs/dbraw/zinc/61/89/82/1317618982.db2.gz UORFDUXJVJZONS-PMACEKPBSA-N 2 1 327.472 3.242 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961377062 1319532258 /nfs/dbraw/zinc/53/22/58/1319532258.db2.gz WQPCDIHTEUTDHK-UXHICEINSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695617 1319821381 /nfs/dbraw/zinc/82/13/81/1319821381.db2.gz COOZPYMZVWICML-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023695617 1319821392 /nfs/dbraw/zinc/82/13/92/1319821392.db2.gz COOZPYMZVWICML-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001023695617 1319821398 /nfs/dbraw/zinc/82/13/98/1319821398.db2.gz COOZPYMZVWICML-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440559 1323401488 /nfs/dbraw/zinc/40/14/88/1323401488.db2.gz RHWXKRHJNVPNIB-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440559 1323401493 /nfs/dbraw/zinc/40/14/93/1323401493.db2.gz RHWXKRHJNVPNIB-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440559 1323401498 /nfs/dbraw/zinc/40/14/98/1323401498.db2.gz RHWXKRHJNVPNIB-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001024440682 1323402339 /nfs/dbraw/zinc/40/23/39/1323402339.db2.gz RHWXKRHJNVPNIB-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001024440682 1323402345 /nfs/dbraw/zinc/40/23/45/1323402345.db2.gz RHWXKRHJNVPNIB-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001024440682 1323402348 /nfs/dbraw/zinc/40/23/48/1323402348.db2.gz RHWXKRHJNVPNIB-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024739077 1323639694 /nfs/dbraw/zinc/63/96/94/1323639694.db2.gz XMTYRNJULWHYSK-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279580 1324101963 /nfs/dbraw/zinc/10/19/63/1324101963.db2.gz DTARIDSATZLDOJ-VQTJNVASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000964015567 1325475677 /nfs/dbraw/zinc/47/56/77/1325475677.db2.gz VFXGJJFXBLIBLZ-CTWPCTMYSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947471753 1333141750 /nfs/dbraw/zinc/14/17/50/1333141750.db2.gz FBFXLHLZHDYKED-WBVHZDCISA-N 2 1 340.471 3.192 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056951 1333358484 /nfs/dbraw/zinc/35/84/84/1333358484.db2.gz OOZMSYXUESLCSS-PXNSSMCTSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948070347 1333364609 /nfs/dbraw/zinc/36/46/09/1333364609.db2.gz OOVORDGVTXTZNQ-RDJZCZTQSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948070347 1333364610 /nfs/dbraw/zinc/36/46/10/1333364610.db2.gz OOVORDGVTXTZNQ-RDJZCZTQSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000948373329 1333499310 /nfs/dbraw/zinc/49/93/10/1333499310.db2.gz MNQXKSPHKUYIKN-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439572 1333526419 /nfs/dbraw/zinc/52/64/19/1333526419.db2.gz SBCGJAQMTRKRFM-QZTJIDSGSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439572 1333526420 /nfs/dbraw/zinc/52/64/20/1333526420.db2.gz SBCGJAQMTRKRFM-QZTJIDSGSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647905 1333611208 /nfs/dbraw/zinc/61/12/08/1333611208.db2.gz NFKGFFNTVNWOFW-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928453 1336092796 /nfs/dbraw/zinc/09/27/96/1336092796.db2.gz LFBBNKSZLULRRH-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928453 1336092797 /nfs/dbraw/zinc/09/27/97/1336092797.db2.gz LFBBNKSZLULRRH-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928453 1336092800 /nfs/dbraw/zinc/09/28/00/1336092800.db2.gz LFBBNKSZLULRRH-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000969100537 1336142688 /nfs/dbraw/zinc/14/26/88/1336142688.db2.gz AGMDPXOMQMRTED-LJQANCHMSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153693 1336164437 /nfs/dbraw/zinc/16/44/37/1336164437.db2.gz NBTODIUQPLJSMU-HXUWFJFHSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156490 1336166083 /nfs/dbraw/zinc/16/60/83/1336166083.db2.gz UFOHBJRMDLWVGM-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156490 1336166084 /nfs/dbraw/zinc/16/60/84/1336166084.db2.gz UFOHBJRMDLWVGM-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156490 1336166086 /nfs/dbraw/zinc/16/60/86/1336166086.db2.gz UFOHBJRMDLWVGM-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016862259 1338751311 /nfs/dbraw/zinc/75/13/11/1338751311.db2.gz UYPQNFACVAENFX-RTBURBONSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918291 1340883671 /nfs/dbraw/zinc/88/36/71/1340883671.db2.gz DIGYCROEORECJZ-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918291 1340883673 /nfs/dbraw/zinc/88/36/73/1340883673.db2.gz DIGYCROEORECJZ-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918291 1340883676 /nfs/dbraw/zinc/88/36/76/1340883676.db2.gz DIGYCROEORECJZ-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918288 1340883700 /nfs/dbraw/zinc/88/37/00/1340883700.db2.gz DIGYCROEORECJZ-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918288 1340883701 /nfs/dbraw/zinc/88/37/01/1340883701.db2.gz DIGYCROEORECJZ-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918288 1340883702 /nfs/dbraw/zinc/88/37/02/1340883702.db2.gz DIGYCROEORECJZ-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033837506 1342035702 /nfs/dbraw/zinc/03/57/02/1342035702.db2.gz RYBXTQOIRAIJHE-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033837506 1342035704 /nfs/dbraw/zinc/03/57/04/1342035704.db2.gz RYBXTQOIRAIJHE-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033837506 1342035709 /nfs/dbraw/zinc/03/57/09/1342035709.db2.gz RYBXTQOIRAIJHE-UYAOXDASSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033837503 1342035774 /nfs/dbraw/zinc/03/57/74/1342035774.db2.gz RYBXTQOIRAIJHE-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033837503 1342035775 /nfs/dbraw/zinc/03/57/75/1342035775.db2.gz RYBXTQOIRAIJHE-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033837503 1342035776 /nfs/dbraw/zinc/03/57/76/1342035776.db2.gz RYBXTQOIRAIJHE-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877842 1342055462 /nfs/dbraw/zinc/05/54/62/1342055462.db2.gz HEWRHTODXJQKLB-SFHVURJKSA-N 2 1 340.471 3.145 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037934167 1344189468 /nfs/dbraw/zinc/18/94/68/1344189468.db2.gz LDQKEBSQGYWSJD-ROUUACIJSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001039387080 1345039472 /nfs/dbraw/zinc/03/94/72/1345039472.db2.gz QRIXGHBGRJTFAR-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001039387080 1345039475 /nfs/dbraw/zinc/03/94/75/1345039475.db2.gz QRIXGHBGRJTFAR-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001039387080 1345039478 /nfs/dbraw/zinc/03/94/78/1345039478.db2.gz QRIXGHBGRJTFAR-HSALFYBXSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001040433542 1345496420 /nfs/dbraw/zinc/49/64/20/1345496420.db2.gz XEBXEUAMFGSLIJ-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040541647 1345537411 /nfs/dbraw/zinc/53/74/11/1345537411.db2.gz COJGDOHQKRIRAS-NRFANRHFSA-N 2 1 347.547 3.143 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040727480 1345571362 /nfs/dbraw/zinc/57/13/62/1345571362.db2.gz RRTQNJCZBZIZQL-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040874738 1345591989 /nfs/dbraw/zinc/59/19/89/1345591989.db2.gz KMIKOVXHUVSZBD-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001040875168 1345592724 /nfs/dbraw/zinc/59/27/24/1345592724.db2.gz UQRFKHGFAKHBHL-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052448335 1348544239 /nfs/dbraw/zinc/54/42/39/1348544239.db2.gz XRAJHNLSZPNWQY-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052448335 1348544241 /nfs/dbraw/zinc/54/42/41/1348544241.db2.gz XRAJHNLSZPNWQY-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052448335 1348544244 /nfs/dbraw/zinc/54/42/44/1348544244.db2.gz XRAJHNLSZPNWQY-QUCCMNQESA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967075 1348778713 /nfs/dbraw/zinc/77/87/13/1348778713.db2.gz DBJIEULHRDRKFH-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052990623 1348790207 /nfs/dbraw/zinc/79/02/07/1348790207.db2.gz ITRDNZKLBZUYHP-SVFBPWRDSA-N 2 1 347.547 3.137 20 30 EGEDMP C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052990623 1348790210 /nfs/dbraw/zinc/79/02/10/1348790210.db2.gz ITRDNZKLBZUYHP-SVFBPWRDSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226744 1349220588 /nfs/dbraw/zinc/22/05/88/1349220588.db2.gz YBQKWRYXVQDLTH-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001054226744 1349220591 /nfs/dbraw/zinc/22/05/91/1349220591.db2.gz YBQKWRYXVQDLTH-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001054226744 1349220592 /nfs/dbraw/zinc/22/05/92/1349220592.db2.gz YBQKWRYXVQDLTH-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3C)cc2C1 ZINC001054271594 1349270651 /nfs/dbraw/zinc/27/06/51/1349270651.db2.gz RZANAIXADHSCKD-UHFFFAOYSA-N 2 1 346.434 3.074 20 30 EGEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3C)cc2C1 ZINC001054271594 1349270653 /nfs/dbraw/zinc/27/06/53/1349270653.db2.gz RZANAIXADHSCKD-UHFFFAOYSA-N 2 1 346.434 3.074 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072099487 1355129276 /nfs/dbraw/zinc/12/92/76/1355129276.db2.gz RKMPXUHXRFYODN-HKUYNNGSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072110067 1355136469 /nfs/dbraw/zinc/13/64/69/1355136469.db2.gz RXRAIPGJHMJBKR-DLBZAZTESA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049662 1358378510 /nfs/dbraw/zinc/37/85/10/1358378510.db2.gz QSXBDAWFNIJBIN-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049662 1358378513 /nfs/dbraw/zinc/37/85/13/1358378513.db2.gz QSXBDAWFNIJBIN-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049662 1358378518 /nfs/dbraw/zinc/37/85/18/1358378518.db2.gz QSXBDAWFNIJBIN-AQNXPRMDSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921660 1359248489 /nfs/dbraw/zinc/24/84/89/1359248489.db2.gz WBZIPJMSRMERNB-MOPGFXCFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572525 1359536705 /nfs/dbraw/zinc/53/67/05/1359536705.db2.gz VEGGRDCAKZLTBS-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089384251 1360386415 /nfs/dbraw/zinc/38/64/15/1360386415.db2.gz BMZVTRNFZOMPTD-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001089662289 1360572536 /nfs/dbraw/zinc/57/25/36/1360572536.db2.gz AXVLVYNOPDLHFW-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662289 1360572537 /nfs/dbraw/zinc/57/25/37/1360572537.db2.gz AXVLVYNOPDLHFW-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001089662289 1360572538 /nfs/dbraw/zinc/57/25/38/1360572538.db2.gz AXVLVYNOPDLHFW-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001089684028 1360589955 /nfs/dbraw/zinc/58/99/55/1360589955.db2.gz MSPPLXCLFQPKQT-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684028 1360589957 /nfs/dbraw/zinc/58/99/57/1360589957.db2.gz MSPPLXCLFQPKQT-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001089684028 1360589959 /nfs/dbraw/zinc/58/99/59/1360589959.db2.gz MSPPLXCLFQPKQT-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001089717761 1360619480 /nfs/dbraw/zinc/61/94/80/1360619480.db2.gz DLKHBOOLIIKOMR-IBGZPJMESA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184681988 1387507312 /nfs/dbraw/zinc/50/73/12/1387507312.db2.gz AMSVPJKYRFLTCP-ZWKOTPCHSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001094950833 1361958198 /nfs/dbraw/zinc/95/81/98/1361958198.db2.gz SFHGNFRSZUPTTR-LNLFQRSKSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098991303 1363560365 /nfs/dbraw/zinc/56/03/65/1363560365.db2.gz WJXWCTCNTLBRAF-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098991303 1363560366 /nfs/dbraw/zinc/56/03/66/1363560366.db2.gz WJXWCTCNTLBRAF-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098991303 1363560368 /nfs/dbraw/zinc/56/03/68/1363560368.db2.gz WJXWCTCNTLBRAF-DYXWJJEUSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099116270 1363631915 /nfs/dbraw/zinc/63/19/15/1363631915.db2.gz OYWGXIPDLSATQG-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116270 1363631917 /nfs/dbraw/zinc/63/19/17/1363631917.db2.gz OYWGXIPDLSATQG-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116270 1363631920 /nfs/dbraw/zinc/63/19/20/1363631920.db2.gz OYWGXIPDLSATQG-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001099164702 1363665171 /nfs/dbraw/zinc/66/51/71/1363665171.db2.gz GQVGWZQYPPRUSM-GOSISDBHSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099234799 1363705995 /nfs/dbraw/zinc/70/59/95/1363705995.db2.gz MICODNATTVWORG-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234799 1363706000 /nfs/dbraw/zinc/70/60/00/1363706000.db2.gz MICODNATTVWORG-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234799 1363706004 /nfs/dbraw/zinc/70/60/04/1363706004.db2.gz MICODNATTVWORG-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001099270985 1363725562 /nfs/dbraw/zinc/72/55/62/1363725562.db2.gz RSEBXHPZKGBBPL-MSOLQXFVSA-N 2 1 337.552 3.146 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099271807 1363726208 /nfs/dbraw/zinc/72/62/08/1363726208.db2.gz ZXDRGJBLVAKOCE-GOSISDBHSA-N 2 1 346.519 3.155 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001099271807 1363726212 /nfs/dbraw/zinc/72/62/12/1363726212.db2.gz ZXDRGJBLVAKOCE-GOSISDBHSA-N 2 1 346.519 3.155 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099280939 1363730246 /nfs/dbraw/zinc/73/02/46/1363730246.db2.gz OYHPDMBDEHOVNK-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001100383137 1364097444 /nfs/dbraw/zinc/09/74/44/1364097444.db2.gz NCBNUDSUCZHRCG-CTWPCTMYSA-N 2 1 337.552 3.316 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001103269557 1365464296 /nfs/dbraw/zinc/46/42/96/1365464296.db2.gz DJAWKPSKFMDDCQ-RTBURBONSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103663867 1365711860 /nfs/dbraw/zinc/71/18/60/1365711860.db2.gz YJKRHVXSBNRQQZ-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663867 1365711862 /nfs/dbraw/zinc/71/18/62/1365711862.db2.gz YJKRHVXSBNRQQZ-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103663867 1365711863 /nfs/dbraw/zinc/71/18/63/1365711863.db2.gz YJKRHVXSBNRQQZ-RTBURBONSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724452 1365749624 /nfs/dbraw/zinc/74/96/24/1365749624.db2.gz DBTYRTFZJRMHES-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724452 1365749626 /nfs/dbraw/zinc/74/96/26/1365749626.db2.gz DBTYRTFZJRMHES-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362747 1365988327 /nfs/dbraw/zinc/98/83/27/1365988327.db2.gz HRUZKLAXBNGFFW-KZNAEPCWSA-N 2 1 337.552 3.146 20 30 EGEDMP C=CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001105540056 1366519408 /nfs/dbraw/zinc/51/94/08/1366519408.db2.gz YAJWIWJLYMPGJH-OTWHNJEPSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH2+]CC1([C@H]2CCCCN2C(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105574532 1366539377 /nfs/dbraw/zinc/53/93/77/1366539377.db2.gz AHJPETZJBQIFRG-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106112054 1366612520 /nfs/dbraw/zinc/61/25/20/1366612520.db2.gz WGCILMDPAJCSQT-VAMGGRTRSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442656 1366965161 /nfs/dbraw/zinc/96/51/61/1366965161.db2.gz IDYRZTUXTSSMQH-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442656 1366965163 /nfs/dbraw/zinc/96/51/63/1366965163.db2.gz IDYRZTUXTSSMQH-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442656 1366965166 /nfs/dbraw/zinc/96/51/66/1366965166.db2.gz IDYRZTUXTSSMQH-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC3([NH+](C)C)CCCC3)CCC[C@@H]12 ZINC001107487108 1366987467 /nfs/dbraw/zinc/98/74/67/1366987467.db2.gz OZFQLQMDZYUXFC-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082168 1367420844 /nfs/dbraw/zinc/42/08/44/1367420844.db2.gz VETANKBZUGWMKO-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082168 1367420847 /nfs/dbraw/zinc/42/08/47/1367420847.db2.gz VETANKBZUGWMKO-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082168 1367420850 /nfs/dbraw/zinc/42/08/50/1367420850.db2.gz VETANKBZUGWMKO-PMACEKPBSA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001110660391 1367903088 /nfs/dbraw/zinc/90/30/88/1367903088.db2.gz CMLHJRJBFXLXMV-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001110660391 1367903092 /nfs/dbraw/zinc/90/30/92/1367903092.db2.gz CMLHJRJBFXLXMV-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001110660391 1367903093 /nfs/dbraw/zinc/90/30/93/1367903093.db2.gz CMLHJRJBFXLXMV-YSTOQKLRSA-N 2 1 345.531 3.081 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111020995 1368144254 /nfs/dbraw/zinc/14/42/54/1368144254.db2.gz ODXVINLZYKHBMC-MANSERQUSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111020995 1368144255 /nfs/dbraw/zinc/14/42/55/1368144255.db2.gz ODXVINLZYKHBMC-MANSERQUSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111020995 1368144258 /nfs/dbraw/zinc/14/42/58/1368144258.db2.gz ODXVINLZYKHBMC-MANSERQUSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266243 1368219404 /nfs/dbraw/zinc/21/94/04/1368219404.db2.gz MULWSJOLNNPMHY-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194266243 1368219406 /nfs/dbraw/zinc/21/94/06/1368219406.db2.gz MULWSJOLNNPMHY-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001194266243 1368219408 /nfs/dbraw/zinc/21/94/08/1368219408.db2.gz MULWSJOLNNPMHY-RBUKOAKNSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297724 1368257478 /nfs/dbraw/zinc/25/74/78/1368257478.db2.gz QYDODDJXOCAVQM-QRVBRYPASA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111816976 1368479438 /nfs/dbraw/zinc/47/94/38/1368479438.db2.gz HKPAEENXHDIDNC-RXVVDRJESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](CC(C)C)n2ccnc2)CC1 ZINC001196242117 1368574147 /nfs/dbraw/zinc/57/41/47/1368574147.db2.gz BPGSBLNRXRWGII-OALUTQOASA-N 2 1 346.519 3.359 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001196641716 1368654585 /nfs/dbraw/zinc/65/45/85/1368654585.db2.gz MWARZAXOUPUYFV-FQEVSTJZSA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197158223 1368756836 /nfs/dbraw/zinc/75/68/36/1368756836.db2.gz MAJLGNATAUWRPQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001197158223 1368756843 /nfs/dbraw/zinc/75/68/43/1368756843.db2.gz MAJLGNATAUWRPQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001197158223 1368756845 /nfs/dbraw/zinc/75/68/45/1368756845.db2.gz MAJLGNATAUWRPQ-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197324671 1368788693 /nfs/dbraw/zinc/78/86/93/1368788693.db2.gz PXMSSBCRTCWOHK-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001197324671 1368788696 /nfs/dbraw/zinc/78/86/96/1368788696.db2.gz PXMSSBCRTCWOHK-GOSISDBHSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001200644017 1369404750 /nfs/dbraw/zinc/40/47/50/1369404750.db2.gz IEEGQGBRZQZDKW-SJORKVTESA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201399165 1369537217 /nfs/dbraw/zinc/53/72/17/1369537217.db2.gz IDZKMABIKDCTOA-HXUWFJFHSA-N 2 1 349.563 3.434 20 30 EGEDMP N#Cc1ccccc1C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001204370549 1370456976 /nfs/dbraw/zinc/45/69/76/1370456976.db2.gz CLYQGYUSXGQXQR-UHFFFAOYSA-N 2 1 346.478 3.441 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205461558 1370762751 /nfs/dbraw/zinc/76/27/51/1370762751.db2.gz NLJFNONTTPQRCH-IBGZPJMESA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001205562419 1370792034 /nfs/dbraw/zinc/79/20/34/1370792034.db2.gz VYMIWUPLDASFJX-UHFFFAOYSA-N 2 1 337.552 3.291 20 30 EGEDMP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001206317043 1371019743 /nfs/dbraw/zinc/01/97/43/1371019743.db2.gz BPPLIYZJXCIAOF-MRXNPFEDSA-N 2 1 336.277 3.272 20 30 EGEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001206614416 1371109223 /nfs/dbraw/zinc/10/92/23/1371109223.db2.gz DXOAJRKDRQKLAX-UHFFFAOYSA-N 2 1 343.943 3.079 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001206621744 1371110519 /nfs/dbraw/zinc/11/05/19/1371110519.db2.gz FSNWLPNKZURMCG-UHFFFAOYSA-N 2 1 337.552 3.293 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953395 1371243944 /nfs/dbraw/zinc/24/39/44/1371243944.db2.gz IBUHTPFVUMMXSS-HXUWFJFHSA-N 2 1 343.515 3.084 20 30 EGEDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1C#N ZINC001207108969 1371295593 /nfs/dbraw/zinc/29/55/93/1371295593.db2.gz QORBRPCGHLYNCL-RTWAWAEBSA-N 2 1 348.494 3.241 20 30 EGEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)cc1C#N ZINC001207108969 1371295596 /nfs/dbraw/zinc/29/55/96/1371295596.db2.gz QORBRPCGHLYNCL-RTWAWAEBSA-N 2 1 348.494 3.241 20 30 EGEDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)cc1C#N ZINC001207108969 1371295599 /nfs/dbraw/zinc/29/55/99/1371295599.db2.gz QORBRPCGHLYNCL-RTWAWAEBSA-N 2 1 348.494 3.241 20 30 EGEDMP C=CCOc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1OC ZINC001326236959 1388131296 /nfs/dbraw/zinc/13/12/96/1388131296.db2.gz SWJANHJDLGQESN-UHFFFAOYSA-N 2 1 330.472 3.226 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207859043 1371521750 /nfs/dbraw/zinc/52/17/50/1371521750.db2.gz GOKISAIEOQBWHT-QZTJIDSGSA-N 2 1 335.536 3.022 20 30 EGEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049026 1371580421 /nfs/dbraw/zinc/58/04/21/1371580421.db2.gz LMZHQHLRMTZOHI-MOPGFXCFSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001120467697 1371585991 /nfs/dbraw/zinc/58/59/91/1371585991.db2.gz APALINHMGRFJBO-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP Cc1c[nH+]c2n1CCC21CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208857913 1371921289 /nfs/dbraw/zinc/92/12/89/1371921289.db2.gz BBVCYHGJABXSTE-UHFFFAOYSA-N 2 1 334.467 3.433 20 30 EGEDMP C=CCCCCCCC[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001209441762 1372107379 /nfs/dbraw/zinc/10/73/79/1372107379.db2.gz LSMBDIRGQNNACD-UHFFFAOYSA-N 2 1 335.536 3.189 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211256805 1372513247 /nfs/dbraw/zinc/51/32/47/1372513247.db2.gz NMBQNXOIUZLCPR-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211256806 1372513323 /nfs/dbraw/zinc/51/33/23/1372513323.db2.gz NMBQNXOIUZLCPR-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214668012 1373099397 /nfs/dbraw/zinc/09/93/97/1373099397.db2.gz MRZKOZKXZLLUOF-FCGDIQPGSA-N 2 1 337.552 3.124 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105852 1375149898 /nfs/dbraw/zinc/14/98/98/1375149898.db2.gz NSHVJKRODQHIMJ-QZTJIDSGSA-N 2 1 337.552 3.410 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141601 1375167276 /nfs/dbraw/zinc/16/72/76/1375167276.db2.gz SMDJKKBNAMOMKA-SJORKVTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141601 1375167279 /nfs/dbraw/zinc/16/72/79/1375167279.db2.gz SMDJKKBNAMOMKA-SJORKVTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141601 1375167283 /nfs/dbraw/zinc/16/72/83/1375167283.db2.gz SMDJKKBNAMOMKA-SJORKVTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140831 1375167535 /nfs/dbraw/zinc/16/75/35/1375167535.db2.gz LIZJYRJSKBYMHA-IAGOWNOFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140831 1375167536 /nfs/dbraw/zinc/16/75/36/1375167536.db2.gz LIZJYRJSKBYMHA-IAGOWNOFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140831 1375167539 /nfs/dbraw/zinc/16/75/39/1375167539.db2.gz LIZJYRJSKBYMHA-IAGOWNOFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132334629 1375312841 /nfs/dbraw/zinc/31/28/41/1375312841.db2.gz BCOAERXROSACQR-QZTJIDSGSA-N 2 1 346.519 3.332 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001132334629 1375312845 /nfs/dbraw/zinc/31/28/45/1375312845.db2.gz BCOAERXROSACQR-QZTJIDSGSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229126439 1375769946 /nfs/dbraw/zinc/76/99/46/1375769946.db2.gz JDXMIULFFRPATP-QXAKKESOSA-N 2 1 346.519 3.343 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077656 1376883040 /nfs/dbraw/zinc/88/30/40/1376883040.db2.gz QWOAHFNIOHWUTF-MSOLQXFVSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135476613 1377110808 /nfs/dbraw/zinc/11/08/08/1377110808.db2.gz LJGKZLNBBUBUDJ-MSOLQXFVSA-N 2 1 337.552 3.338 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135690242 1377184287 /nfs/dbraw/zinc/18/42/87/1377184287.db2.gz GJKHGXWZJBXVDP-MSOLQXFVSA-N 2 1 325.541 3.338 20 30 EGEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404295 1377879050 /nfs/dbraw/zinc/87/90/50/1377879050.db2.gz ZEVVBUBPDCZEER-UXHICEINSA-N 2 1 332.451 3.004 20 30 EGEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404295 1377879051 /nfs/dbraw/zinc/87/90/51/1377879051.db2.gz ZEVVBUBPDCZEER-UXHICEINSA-N 2 1 332.451 3.004 20 30 EGEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]2C1 ZINC001139404295 1377879052 /nfs/dbraw/zinc/87/90/52/1377879052.db2.gz ZEVVBUBPDCZEER-UXHICEINSA-N 2 1 332.451 3.004 20 30 EGEDMP N#Cc1cncc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001144085773 1378681192 /nfs/dbraw/zinc/68/11/92/1378681192.db2.gz FQJWWWNRNBMPBD-YADHBBJMSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cncc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001144085773 1378681197 /nfs/dbraw/zinc/68/11/97/1378681197.db2.gz FQJWWWNRNBMPBD-YADHBBJMSA-N 2 1 346.478 3.297 20 30 EGEDMP N#Cc1cncc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C2)c1 ZINC001144085773 1378681203 /nfs/dbraw/zinc/68/12/03/1378681203.db2.gz FQJWWWNRNBMPBD-YADHBBJMSA-N 2 1 346.478 3.297 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001153433554 1380076148 /nfs/dbraw/zinc/07/61/48/1380076148.db2.gz WZOMXTPRLQIMAF-IAGOWNOFSA-N 2 1 334.508 3.189 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153433554 1380076154 /nfs/dbraw/zinc/07/61/54/1380076154.db2.gz WZOMXTPRLQIMAF-IAGOWNOFSA-N 2 1 334.508 3.189 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153433554 1380076157 /nfs/dbraw/zinc/07/61/57/1380076157.db2.gz WZOMXTPRLQIMAF-IAGOWNOFSA-N 2 1 334.508 3.189 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001156305499 1380554984 /nfs/dbraw/zinc/55/49/84/1380554984.db2.gz BDENKUIQZWXXPB-IAGOWNOFSA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001156305499 1380554985 /nfs/dbraw/zinc/55/49/85/1380554985.db2.gz BDENKUIQZWXXPB-IAGOWNOFSA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156305499 1380554986 /nfs/dbraw/zinc/55/49/86/1380554986.db2.gz BDENKUIQZWXXPB-IAGOWNOFSA-N 2 1 343.943 3.220 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156305499 1380554987 /nfs/dbraw/zinc/55/49/87/1380554987.db2.gz BDENKUIQZWXXPB-IAGOWNOFSA-N 2 1 343.943 3.220 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001158083293 1381123570 /nfs/dbraw/zinc/12/35/70/1381123570.db2.gz UAWWLIPVVOCSRB-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158083293 1381123571 /nfs/dbraw/zinc/12/35/71/1381123571.db2.gz UAWWLIPVVOCSRB-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158083293 1381123577 /nfs/dbraw/zinc/12/35/77/1381123577.db2.gz UAWWLIPVVOCSRB-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007878 1382269759 /nfs/dbraw/zinc/26/97/59/1382269759.db2.gz FWORQRQFCSZVIA-BJLQDIEVSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161007878 1382269760 /nfs/dbraw/zinc/26/97/60/1382269760.db2.gz FWORQRQFCSZVIA-BJLQDIEVSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161007878 1382269767 /nfs/dbraw/zinc/26/97/67/1382269767.db2.gz FWORQRQFCSZVIA-BJLQDIEVSA-N 2 1 347.547 3.210 20 30 EGEDMP CCCCCCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161874577 1382535712 /nfs/dbraw/zinc/53/57/12/1382535712.db2.gz DIZDIPTYEIKKRC-UHFFFAOYSA-N 2 1 346.519 3.300 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161874577 1382535716 /nfs/dbraw/zinc/53/57/16/1382535716.db2.gz DIZDIPTYEIKKRC-UHFFFAOYSA-N 2 1 346.519 3.300 20 30 EGEDMP C=CCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164515177 1383195336 /nfs/dbraw/zinc/19/53/36/1383195336.db2.gz XDIWSGABIRDVBC-LJQANCHMSA-N 2 1 349.563 3.482 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001165776566 1383344392 /nfs/dbraw/zinc/34/43/92/1383344392.db2.gz OZYMDJPSORFLBD-GOSISDBHSA-N 2 1 337.552 3.317 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793460 1383478361 /nfs/dbraw/zinc/47/83/61/1383478361.db2.gz PMESWQGFHDGXCR-MOPGFXCFSA-N 2 1 349.563 3.339 20 30 EGEDMP C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)CCC[NH+](CC)CC)C2 ZINC001167827033 1383751217 /nfs/dbraw/zinc/75/12/17/1383751217.db2.gz ROYTZXINOUYMDY-SLFFLAALSA-N 2 1 338.536 3.323 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H]2CCC[NH+](C3COC3)C2)cc1 ZINC001168374383 1383888134 /nfs/dbraw/zinc/88/81/34/1383888134.db2.gz LOZXGWIDFFIXIV-CTNGQTDRSA-N 2 1 341.499 3.285 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H]2CCC[NH+](C3COC3)C2)cc1 ZINC001168374383 1383888139 /nfs/dbraw/zinc/88/81/39/1383888139.db2.gz LOZXGWIDFFIXIV-CTNGQTDRSA-N 2 1 341.499 3.285 20 30 EGEDMP C=CC[NH+]1CCC[C@H]1c1ccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc1 ZINC001168374383 1383888143 /nfs/dbraw/zinc/88/81/43/1383888143.db2.gz LOZXGWIDFFIXIV-CTNGQTDRSA-N 2 1 341.499 3.285 20 30 EGEDMP C=CC[NH+]1CCC[C@H]1c1ccc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc1 ZINC001168374383 1383888146 /nfs/dbraw/zinc/88/81/46/1383888146.db2.gz LOZXGWIDFFIXIV-CTNGQTDRSA-N 2 1 341.499 3.285 20 30 EGEDMP N#Cc1cccc(O[C@H]2CCC[N@@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168387555 1383891302 /nfs/dbraw/zinc/89/13/02/1383891302.db2.gz KCUFAZKZLNOREJ-NRFANRHFSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1cccc(O[C@H]2CCC[N@H+](C3CC[NH+](CC4CC4)CC3)C2)c1 ZINC001168387555 1383891305 /nfs/dbraw/zinc/89/13/05/1383891305.db2.gz KCUFAZKZLNOREJ-NRFANRHFSA-N 2 1 339.483 3.276 20 30 EGEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785837 1384385095 /nfs/dbraw/zinc/38/50/95/1384385095.db2.gz PDOCYMNMQDUGCZ-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001171222663 1384472499 /nfs/dbraw/zinc/47/24/99/1384472499.db2.gz ILKYXZLSEKSNGD-INIZCTEOSA-N 2 1 329.463 3.388 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171253799 1384479092 /nfs/dbraw/zinc/47/90/92/1384479092.db2.gz KZDVSLPROGMLFC-GOSISDBHSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646098 1384591288 /nfs/dbraw/zinc/59/12/88/1384591288.db2.gz IVIQKQHGAIMYDG-RTBURBONSA-N 2 1 337.552 3.338 20 30 EGEDMP CC1(C)C[C@H]([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CO1 ZINC001172279653 1384758677 /nfs/dbraw/zinc/75/86/77/1384758677.db2.gz DWWPXTPYNISDKC-FHWLQOOXSA-N 2 1 327.472 3.198 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174881657 1385164584 /nfs/dbraw/zinc/16/45/84/1385164584.db2.gz LLNDXAATDRFSQX-RBUKOAKNSA-N 2 1 337.552 3.339 20 30 EGEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882916 1385164871 /nfs/dbraw/zinc/16/48/71/1385164871.db2.gz YMLNOUBXEUHVRP-ICSRJNTNSA-N 2 1 347.547 3.071 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175565284 1385333810 /nfs/dbraw/zinc/33/38/10/1385333810.db2.gz IMRSHFGDDBMPAF-QGZVFWFLSA-N 2 1 334.508 3.237 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001175572799 1385335346 /nfs/dbraw/zinc/33/53/46/1385335346.db2.gz MGJVKDWQYNQEJL-IAGOWNOFSA-N 2 1 343.943 3.266 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178689432 1386279056 /nfs/dbraw/zinc/27/90/56/1386279056.db2.gz XWYBCAARYAXWIX-IBGZPJMESA-N 2 1 337.552 3.197 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001178693416 1386279732 /nfs/dbraw/zinc/27/97/32/1386279732.db2.gz QACBCKLLAORMAN-IBGZPJMESA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178698359 1386281583 /nfs/dbraw/zinc/28/15/83/1386281583.db2.gz DZJZWBLXPIKKJN-ZWKOTPCHSA-N 2 1 346.519 3.381 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001178902932 1386343829 /nfs/dbraw/zinc/34/38/29/1386343829.db2.gz NPGDARLAVLVJFU-UHFFFAOYSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179408959 1386477910 /nfs/dbraw/zinc/47/79/10/1386477910.db2.gz DHIVKKFXPXVPLQ-VJANTYMQSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001179592480 1386526917 /nfs/dbraw/zinc/52/69/17/1386526917.db2.gz CXRHRPQUHKSWEL-UHFFFAOYSA-N 2 1 325.541 3.197 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001179593011 1386527048 /nfs/dbraw/zinc/52/70/48/1386527048.db2.gz USTOOMAGBGQCCF-UHFFFAOYSA-N 2 1 345.531 3.003 20 30 EGEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccc(C(C)C)cc1 ZINC001713699128 1418455465 /nfs/dbraw/zinc/45/54/65/1418455465.db2.gz UKXYBXQEIKNFRP-VQTJNVASSA-N 2 1 343.515 3.227 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001752514783 1440190933 /nfs/dbraw/zinc/19/09/33/1440190933.db2.gz SQZYTRNWEOYZCT-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001752736980 1440204377 /nfs/dbraw/zinc/20/43/77/1440204377.db2.gz GNOIKALJXODVLU-FCGDIQPGSA-N 2 1 335.536 3.211 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001752833707 1440226522 /nfs/dbraw/zinc/22/65/22/1440226522.db2.gz IZABOAPKLSPNGR-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001752833707 1440226523 /nfs/dbraw/zinc/22/65/23/1440226523.db2.gz IZABOAPKLSPNGR-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001752833707 1440226524 /nfs/dbraw/zinc/22/65/24/1440226524.db2.gz IZABOAPKLSPNGR-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001753447780 1440404822 /nfs/dbraw/zinc/40/48/22/1440404822.db2.gz GJTOBFUOVSISRE-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001753447780 1440404823 /nfs/dbraw/zinc/40/48/23/1440404823.db2.gz GJTOBFUOVSISRE-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753447780 1440404824 /nfs/dbraw/zinc/40/48/24/1440404824.db2.gz GJTOBFUOVSISRE-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001753447780 1440404825 /nfs/dbraw/zinc/40/48/25/1440404825.db2.gz GJTOBFUOVSISRE-VQTJNVASSA-N 2 1 343.515 3.178 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001754564294 1440634816 /nfs/dbraw/zinc/63/48/16/1440634816.db2.gz AGSNHIZMTGBOMX-SBHAEUEKSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001754564294 1440634817 /nfs/dbraw/zinc/63/48/17/1440634817.db2.gz AGSNHIZMTGBOMX-SBHAEUEKSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001754564294 1440634818 /nfs/dbraw/zinc/63/48/18/1440634818.db2.gz AGSNHIZMTGBOMX-SBHAEUEKSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001754567807 1440636362 /nfs/dbraw/zinc/63/63/62/1440636362.db2.gz UEDFRVPEQFMAEH-FPOVZHCZSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001754567807 1440636363 /nfs/dbraw/zinc/63/63/63/1440636363.db2.gz UEDFRVPEQFMAEH-FPOVZHCZSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001754567807 1440636364 /nfs/dbraw/zinc/63/63/64/1440636364.db2.gz UEDFRVPEQFMAEH-FPOVZHCZSA-N 2 1 349.563 3.223 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001754568116 1440636701 /nfs/dbraw/zinc/63/67/01/1440636701.db2.gz ADEBZKZKQQKPEN-NRFANRHFSA-N 2 1 347.547 3.143 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001754578964 1440638325 /nfs/dbraw/zinc/63/83/25/1440638325.db2.gz YUIBTXBNTSIVPW-PKOBYXMFSA-N 2 1 335.536 3.116 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001754578964 1440638326 /nfs/dbraw/zinc/63/83/26/1440638326.db2.gz YUIBTXBNTSIVPW-PKOBYXMFSA-N 2 1 335.536 3.116 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754685756 1440664821 /nfs/dbraw/zinc/66/48/21/1440664821.db2.gz QXXHCIHBACUBTO-WIYYLYMNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001754685756 1440664822 /nfs/dbraw/zinc/66/48/22/1440664822.db2.gz QXXHCIHBACUBTO-WIYYLYMNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001754685756 1440664823 /nfs/dbraw/zinc/66/48/23/1440664823.db2.gz QXXHCIHBACUBTO-WIYYLYMNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001754685756 1440664824 /nfs/dbraw/zinc/66/48/24/1440664824.db2.gz QXXHCIHBACUBTO-WIYYLYMNSA-N 2 1 343.515 3.054 20 30 EGEDMP C=CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001754947577 1440713897 /nfs/dbraw/zinc/71/38/97/1440713897.db2.gz OOZNVUPQSHGKQS-VQIMIIECSA-N 2 1 329.488 3.014 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755034291 1440733413 /nfs/dbraw/zinc/73/34/13/1440733413.db2.gz OVBNCIDTQZXJKF-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755136298 1440758415 /nfs/dbraw/zinc/75/84/15/1440758415.db2.gz SZKMEXVAAORXJI-LJQANCHMSA-N 2 1 343.515 3.226 20 30 EGEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001755183467 1440771880 /nfs/dbraw/zinc/77/18/80/1440771880.db2.gz BVWRGYMUDSPSEN-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000360838371 283192323 /nfs/dbraw/zinc/19/23/23/283192323.db2.gz CCZJYFPXPNMPJG-PZJWPPBQSA-N 2 1 341.499 3.152 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000268669629 252122122 /nfs/dbraw/zinc/12/21/22/252122122.db2.gz KARWKGCEXTUZMH-FPOVZHCZSA-N 2 1 341.499 3.036 20 30 EGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000268669629 252122125 /nfs/dbraw/zinc/12/21/25/252122125.db2.gz KARWKGCEXTUZMH-FPOVZHCZSA-N 2 1 341.499 3.036 20 30 EGEDMP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000246793910 141034417 /nfs/dbraw/zinc/03/44/17/141034417.db2.gz MLRRCRHILBKALL-QFBILLFUSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000246793910 141034420 /nfs/dbraw/zinc/03/44/20/141034420.db2.gz MLRRCRHILBKALL-QFBILLFUSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000246793910 141034423 /nfs/dbraw/zinc/03/44/23/141034423.db2.gz MLRRCRHILBKALL-QFBILLFUSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000246793910 141034426 /nfs/dbraw/zinc/03/44/26/141034426.db2.gz MLRRCRHILBKALL-QFBILLFUSA-N 2 1 325.456 3.016 20 30 EGEDMP N#Cc1ccc(OCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471029579 270055345 /nfs/dbraw/zinc/05/53/45/270055345.db2.gz PAVXHJIZCITRAP-OYRHEFFESA-N 2 1 347.462 3.001 20 30 EGEDMP N#Cc1ccc(OCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471029579 270055347 /nfs/dbraw/zinc/05/53/47/270055347.db2.gz PAVXHJIZCITRAP-OYRHEFFESA-N 2 1 347.462 3.001 20 30 EGEDMP N#Cc1ccc(OCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471029579 270055348 /nfs/dbraw/zinc/05/53/48/270055348.db2.gz PAVXHJIZCITRAP-OYRHEFFESA-N 2 1 347.462 3.001 20 30 EGEDMP N#Cc1ccc(OCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471029579 270055349 /nfs/dbraw/zinc/05/53/49/270055349.db2.gz PAVXHJIZCITRAP-OYRHEFFESA-N 2 1 347.462 3.001 20 30 EGEDMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000367518873 274218469 /nfs/dbraw/zinc/21/84/69/274218469.db2.gz KRNYEWDXBULNMS-MSOLQXFVSA-N 2 1 340.515 3.237 20 30 EGEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000367518873 274218470 /nfs/dbraw/zinc/21/84/70/274218470.db2.gz KRNYEWDXBULNMS-MSOLQXFVSA-N 2 1 340.515 3.237 20 30 EGEDMP C[N@@H+](CCOc1cccc(C#N)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110297 453965160 /nfs/dbraw/zinc/96/51/60/453965160.db2.gz GUWURJDVDYCUDO-NRFANRHFSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1cccc(C#N)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110297 453965163 /nfs/dbraw/zinc/96/51/63/453965163.db2.gz GUWURJDVDYCUDO-NRFANRHFSA-N 2 1 349.478 3.391 20 30 EGEDMP C[NH+](CCOc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110297 453965164 /nfs/dbraw/zinc/96/51/64/453965164.db2.gz GUWURJDVDYCUDO-NRFANRHFSA-N 2 1 349.478 3.391 20 30 EGEDMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000064613718 454494036 /nfs/dbraw/zinc/49/40/36/454494036.db2.gz ILISOVDAUDWTQZ-UHFFFAOYSA-N 2 1 345.487 3.342 20 30 EGEDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000135217558 454648725 /nfs/dbraw/zinc/64/87/25/454648725.db2.gz MLRRCRHILBKALL-VQIMIIECSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1C#N ZINC000135217558 454648732 /nfs/dbraw/zinc/64/87/32/454648732.db2.gz MLRRCRHILBKALL-VQIMIIECSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1C#N ZINC000135217558 454648739 /nfs/dbraw/zinc/64/87/39/454648739.db2.gz MLRRCRHILBKALL-VQIMIIECSA-N 2 1 325.456 3.016 20 30 EGEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C#N ZINC000135217558 454648744 /nfs/dbraw/zinc/64/87/44/454648744.db2.gz MLRRCRHILBKALL-VQIMIIECSA-N 2 1 325.456 3.016 20 30 EGEDMP C=CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC1 ZINC000182242062 455469650 /nfs/dbraw/zinc/46/96/50/455469650.db2.gz XWACJGNTXVTMPZ-RTWAWAEBSA-N 2 1 328.500 3.478 20 30 EGEDMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1C#N ZINC000177583162 454880243 /nfs/dbraw/zinc/88/02/43/454880243.db2.gz GHMQIMWORPRCSW-UHFFFAOYSA-N 2 1 327.472 3.454 20 30 EGEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270564893 455984095 /nfs/dbraw/zinc/98/40/95/455984095.db2.gz LCSUJZJYFAHQFE-NORZTCDRSA-N 2 1 340.874 3.175 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280892284 456073180 /nfs/dbraw/zinc/07/31/80/456073180.db2.gz QGTVXBZVVLYPSD-PBASOCQRSA-N 2 1 328.500 3.468 20 30 EGEDMP C=CC[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000357813253 457699742 /nfs/dbraw/zinc/69/97/42/457699742.db2.gz AAXGQZUXCKFVNC-UHFFFAOYSA-N 2 1 341.499 3.051 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459400567 458360113 /nfs/dbraw/zinc/36/01/13/458360113.db2.gz LAVOOFDFPZSWAF-GOSISDBHSA-N 2 1 343.515 3.042 20 30 EGEDMP CC1(C#N)CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000449063661 458419666 /nfs/dbraw/zinc/41/96/66/458419666.db2.gz QKKFSWYWNKXVDV-UHFFFAOYSA-N 2 1 327.472 3.081 20 30 EGEDMP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000377885203 458562444 /nfs/dbraw/zinc/56/24/44/458562444.db2.gz RQWJAOVTTOHTAB-VQIMIIECSA-N 2 1 327.472 3.141 20 30 EGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000531911522 458999338 /nfs/dbraw/zinc/99/93/38/458999338.db2.gz WDUPRDZESZISNL-UHFFFAOYSA-N 2 1 329.488 3.379 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559754406 459275678 /nfs/dbraw/zinc/27/56/78/459275678.db2.gz ZRFZIMPAKSKEIO-RTWAWAEBSA-N 2 1 327.516 3.452 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000602511763 459976086 /nfs/dbraw/zinc/97/60/86/459976086.db2.gz KMSICBAYLJSHDI-SFHVURJKSA-N 2 1 329.488 3.197 20 30 EGEDMP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n1 ZINC000602525861 459982642 /nfs/dbraw/zinc/98/26/42/459982642.db2.gz SVJBVBTZFZAPCV-OAHLLOKOSA-N 2 1 326.469 3.017 20 30 EGEDMP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000602525861 459982649 /nfs/dbraw/zinc/98/26/49/459982649.db2.gz SVJBVBTZFZAPCV-OAHLLOKOSA-N 2 1 326.469 3.017 20 30 EGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602545873 459992393 /nfs/dbraw/zinc/99/23/93/459992393.db2.gz RBVYKSQZSDPTNN-KRWDZBQOSA-N 2 1 329.488 3.327 20 30 EGEDMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC000598724180 460007161 /nfs/dbraw/zinc/00/71/61/460007161.db2.gz JDXYSULLRRHISW-HOJAQTOUSA-N 2 1 343.515 3.177 20 30 EGEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619754710 460432601 /nfs/dbraw/zinc/43/26/01/460432601.db2.gz ISSKOGGCSAZNGG-DNVCBOLYSA-N 2 1 349.906 3.438 20 30 EGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619754710 460432605 /nfs/dbraw/zinc/43/26/05/460432605.db2.gz ISSKOGGCSAZNGG-DNVCBOLYSA-N 2 1 349.906 3.438 20 30 EGEDMP N#CCC[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000601964626 460964218 /nfs/dbraw/zinc/96/42/18/460964218.db2.gz JMZZYTMMHCEQML-VXKWHMMOSA-N 2 1 349.478 3.258 20 30 EGEDMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CCCO1 ZINC000617815547 460983540 /nfs/dbraw/zinc/98/35/40/460983540.db2.gz WVWSFYBHJBYPMZ-JXFKEZNVSA-N 2 1 327.472 3.026 20 30 EGEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000657969050 462332383 /nfs/dbraw/zinc/33/23/83/462332383.db2.gz IMKPJTOXKPYGSJ-QMMLZNLJSA-N 2 1 328.500 3.478 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000152962400 526604357 /nfs/dbraw/zinc/60/43/57/526604357.db2.gz YMLBPANGWINJKR-GHTZIAJQSA-N 2 1 327.516 3.280 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccccc1C#N ZINC000191514589 528863386 /nfs/dbraw/zinc/86/33/86/528863386.db2.gz NPRGKIBGCCKCNS-UHFFFAOYSA-N 2 1 326.444 3.108 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccccc1C#N ZINC000191514589 528863392 /nfs/dbraw/zinc/86/33/92/528863392.db2.gz NPRGKIBGCCKCNS-UHFFFAOYSA-N 2 1 326.444 3.108 20 30 EGEDMP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccc(C)cc2)[NH+]2CCCC2)o1 ZINC000104191355 1293019891 /nfs/dbraw/zinc/01/98/91/1293019891.db2.gz KVGRYIQAKKITLH-KRWDZBQOSA-N 2 1 326.444 3.460 20 30 EGEDMP CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303784441 1296855420 /nfs/dbraw/zinc/85/54/20/1296855420.db2.gz PBSNYVBIBOSZFH-QFBILLFUSA-N 2 1 346.519 3.284 20 30 EGEDMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303873918 1296863487 /nfs/dbraw/zinc/86/34/87/1296863487.db2.gz GZKFYXGKUCHIJK-HNNXBMFYSA-N 2 1 348.491 3.085 20 30 EGEDMP C[C@@H](NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000303968065 1296882078 /nfs/dbraw/zinc/88/20/78/1296882078.db2.gz AGEKYURMBBZYHY-GHMZBOCLSA-N 2 1 343.302 3.441 20 30 EGEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000305003015 1296950446 /nfs/dbraw/zinc/95/04/46/1296950446.db2.gz HUIXDADFBDNXJU-MRXNPFEDSA-N 2 1 328.504 3.270 20 30 EGEDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000902816055 1317619266 /nfs/dbraw/zinc/61/92/66/1317619266.db2.gz NPKCSIFFDDKFGO-FCHUYYIVSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000902816055 1317619270 /nfs/dbraw/zinc/61/92/70/1317619270.db2.gz NPKCSIFFDDKFGO-FCHUYYIVSA-N 2 1 349.478 3.236 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740156 1318650663 /nfs/dbraw/zinc/65/06/63/1318650663.db2.gz QSCOYAJYHHLZJF-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024460826 1323415923 /nfs/dbraw/zinc/41/59/23/1323415923.db2.gz GXWAYWKPGKCKKR-QGZVFWFLSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC001024460826 1323415927 /nfs/dbraw/zinc/41/59/27/1323415927.db2.gz GXWAYWKPGKCKKR-QGZVFWFLSA-N 2 1 349.544 3.360 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001025279579 1324102068 /nfs/dbraw/zinc/10/20/68/1324102068.db2.gz DTARIDSATZLDOJ-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000963430397 1325241629 /nfs/dbraw/zinc/24/16/29/1325241629.db2.gz UZOGUAIZRKAEHK-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C[C@H]1C[C@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000927162838 1327900574 /nfs/dbraw/zinc/90/05/74/1327900574.db2.gz BACRWKSOQQQEOH-FXAWDEMLSA-N 2 1 349.482 3.008 20 30 EGEDMP C[C@H]1C[C@H]([NH2+]CCNc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000927162838 1327900581 /nfs/dbraw/zinc/90/05/81/1327900581.db2.gz BACRWKSOQQQEOH-FXAWDEMLSA-N 2 1 349.482 3.008 20 30 EGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNc2ccc(C#N)cn2)cc1 ZINC000927166785 1327903786 /nfs/dbraw/zinc/90/37/86/1327903786.db2.gz YVRKTIMBBIEEOG-OAHLLOKOSA-N 2 1 346.438 3.210 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942100045 1331829882 /nfs/dbraw/zinc/82/98/82/1331829882.db2.gz MXPFIXGHEIYGRY-WBVHZDCISA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423622 1333520060 /nfs/dbraw/zinc/52/00/60/1333520060.db2.gz BFYJRTZROACCCT-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423622 1333520063 /nfs/dbraw/zinc/52/00/63/1333520063.db2.gz BFYJRTZROACCCT-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423622 1333520064 /nfs/dbraw/zinc/52/00/64/1333520064.db2.gz BFYJRTZROACCCT-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829294 1333701131 /nfs/dbraw/zinc/70/11/31/1333701131.db2.gz JEBWMZOFICGJTD-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829294 1333701135 /nfs/dbraw/zinc/70/11/35/1333701135.db2.gz JEBWMZOFICGJTD-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829294 1333701138 /nfs/dbraw/zinc/70/11/38/1333701138.db2.gz JEBWMZOFICGJTD-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000948829813 1333701928 /nfs/dbraw/zinc/70/19/28/1333701928.db2.gz WXTLRDBEPUEIMX-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829813 1333701930 /nfs/dbraw/zinc/70/19/30/1333701930.db2.gz WXTLRDBEPUEIMX-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000948829813 1333701933 /nfs/dbraw/zinc/70/19/33/1333701933.db2.gz WXTLRDBEPUEIMX-OALUTQOASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326025 1336294767 /nfs/dbraw/zinc/29/47/67/1336294767.db2.gz MDBGUMBDBDBLKQ-YLJYHZDGSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001008273771 1336811519 /nfs/dbraw/zinc/81/15/19/1336811519.db2.gz AHFLJEMJXHULDM-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001008273771 1336811520 /nfs/dbraw/zinc/81/15/20/1336811520.db2.gz AHFLJEMJXHULDM-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001008273771 1336811521 /nfs/dbraw/zinc/81/15/21/1336811521.db2.gz AHFLJEMJXHULDM-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009165184 1336979714 /nfs/dbraw/zinc/97/97/14/1336979714.db2.gz BWGPMEWEYGNWND-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009165184 1336979717 /nfs/dbraw/zinc/97/97/17/1336979717.db2.gz BWGPMEWEYGNWND-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009165184 1336979720 /nfs/dbraw/zinc/97/97/20/1336979720.db2.gz BWGPMEWEYGNWND-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033837501 1342035852 /nfs/dbraw/zinc/03/58/52/1342035852.db2.gz RYBXTQOIRAIJHE-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033837501 1342035854 /nfs/dbraw/zinc/03/58/54/1342035854.db2.gz RYBXTQOIRAIJHE-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033837501 1342035856 /nfs/dbraw/zinc/03/58/56/1342035856.db2.gz RYBXTQOIRAIJHE-ICSRJNTNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034290209 1342376096 /nfs/dbraw/zinc/37/60/96/1342376096.db2.gz YSCWJMZDRLGQTA-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034290209 1342376099 /nfs/dbraw/zinc/37/60/99/1342376099.db2.gz YSCWJMZDRLGQTA-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034290209 1342376104 /nfs/dbraw/zinc/37/61/04/1342376104.db2.gz YSCWJMZDRLGQTA-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039282145 1344995299 /nfs/dbraw/zinc/99/52/99/1344995299.db2.gz DCARKXFMQQIKTP-NXEWRWPSSA-N 2 1 347.547 3.185 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039448117 1345073056 /nfs/dbraw/zinc/07/30/56/1345073056.db2.gz WVYCLQQTKGAFFP-ZCNNSNEGSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556596 1347591368 /nfs/dbraw/zinc/59/13/68/1347591368.db2.gz NGPWGUPTRARNQF-FSGKZVOOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556596 1347591370 /nfs/dbraw/zinc/59/13/70/1347591370.db2.gz NGPWGUPTRARNQF-FSGKZVOOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556596 1347591372 /nfs/dbraw/zinc/59/13/72/1347591372.db2.gz NGPWGUPTRARNQF-FSGKZVOOSA-N 2 1 347.547 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001049526539 1347892786 /nfs/dbraw/zinc/89/27/86/1347892786.db2.gz VQQDXNAVRNXZNO-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526539 1347892787 /nfs/dbraw/zinc/89/27/87/1347892787.db2.gz VQQDXNAVRNXZNO-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001049526539 1347892791 /nfs/dbraw/zinc/89/27/91/1347892791.db2.gz VQQDXNAVRNXZNO-XUVXKRRUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049906797 1348105015 /nfs/dbraw/zinc/10/50/15/1348105015.db2.gz AHZFOEPNYMEYFK-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050686788 1348327012 /nfs/dbraw/zinc/32/70/12/1348327012.db2.gz AXLPDPFIIRGTRI-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054156383 1349159968 /nfs/dbraw/zinc/15/99/68/1349159968.db2.gz NZIUREBZOPGOFD-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156383 1349159969 /nfs/dbraw/zinc/15/99/69/1349159969.db2.gz NZIUREBZOPGOFD-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156383 1349159974 /nfs/dbraw/zinc/15/99/74/1349159974.db2.gz NZIUREBZOPGOFD-OAQYLSRUSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071546364 1354758892 /nfs/dbraw/zinc/75/88/92/1354758892.db2.gz KSXYCTKXUGLNSL-DOTOQJQBSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[C@@H]1C ZINC001071546364 1354758894 /nfs/dbraw/zinc/75/88/94/1354758894.db2.gz KSXYCTKXUGLNSL-DOTOQJQBSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404566 1360403338 /nfs/dbraw/zinc/40/33/38/1360403338.db2.gz WLFUGLWBNVTWKA-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404566 1360403339 /nfs/dbraw/zinc/40/33/39/1360403339.db2.gz WLFUGLWBNVTWKA-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC(C)(C)C1 ZINC001089404566 1360403340 /nfs/dbraw/zinc/40/33/40/1360403340.db2.gz WLFUGLWBNVTWKA-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099258261 1363718608 /nfs/dbraw/zinc/71/86/08/1363718608.db2.gz OZBKVUFCPDYSQA-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921661 1359248412 /nfs/dbraw/zinc/24/84/12/1359248412.db2.gz WBZIPJMSRMERNB-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087699530 1359599067 /nfs/dbraw/zinc/59/90/67/1359599067.db2.gz ZYDZAXRIJCMJDX-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087699530 1359599070 /nfs/dbraw/zinc/59/90/70/1359599070.db2.gz ZYDZAXRIJCMJDX-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1CC ZINC001087699530 1359599071 /nfs/dbraw/zinc/59/90/71/1359599071.db2.gz ZYDZAXRIJCMJDX-ZCNNSNEGSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493562 1360470619 /nfs/dbraw/zinc/47/06/19/1360470619.db2.gz XUNAKNOKKXWKCB-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493562 1360470620 /nfs/dbraw/zinc/47/06/20/1360470620.db2.gz XUNAKNOKKXWKCB-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089493562 1360470622 /nfs/dbraw/zinc/47/06/22/1360470622.db2.gz XUNAKNOKKXWKCB-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511281 1360482553 /nfs/dbraw/zinc/48/25/53/1360482553.db2.gz PNFDMMRDLIQGGI-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511281 1360482555 /nfs/dbraw/zinc/48/25/55/1360482555.db2.gz PNFDMMRDLIQGGI-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098821600 1363482141 /nfs/dbraw/zinc/48/21/41/1363482141.db2.gz PVCKYXIELKRVIK-ICSRJNTNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+][C@@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)C1CCCC1 ZINC001098827356 1363484150 /nfs/dbraw/zinc/48/41/50/1363484150.db2.gz UYHOAFGSMGCCDS-ICSRJNTNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110359 1363628116 /nfs/dbraw/zinc/62/81/16/1363628116.db2.gz CIHVYKFECYJXKI-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001099153005 1363658742 /nfs/dbraw/zinc/65/87/42/1363658742.db2.gz CUVRIBOPSWZKDN-KRWDZBQOSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099252674 1363714930 /nfs/dbraw/zinc/71/49/30/1363714930.db2.gz YZGNSAGZNKXQGE-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001100383131 1364097482 /nfs/dbraw/zinc/09/74/82/1364097482.db2.gz MXLACIXNFUTLHL-CTWPCTMYSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001101543647 1364608402 /nfs/dbraw/zinc/60/84/02/1364608402.db2.gz ULPJIGGXERDVSV-RBUKOAKNSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001101551367 1364613928 /nfs/dbraw/zinc/61/39/28/1364613928.db2.gz HILAKPGMMHVOQV-UHFFFAOYSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974948 1364795351 /nfs/dbraw/zinc/79/53/51/1364795351.db2.gz YIRZMUSZQOKQCH-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276775 1364981930 /nfs/dbraw/zinc/98/19/30/1364981930.db2.gz VLIDJBBMVIGMAL-FUMNGEBKSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276775 1364981933 /nfs/dbraw/zinc/98/19/33/1364981933.db2.gz VLIDJBBMVIGMAL-FUMNGEBKSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276775 1364981938 /nfs/dbraw/zinc/98/19/38/1364981938.db2.gz VLIDJBBMVIGMAL-FUMNGEBKSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103084065 1365371593 /nfs/dbraw/zinc/37/15/93/1365371593.db2.gz WUQXMCUQZWGWEW-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378970 1365995231 /nfs/dbraw/zinc/99/52/31/1365995231.db2.gz POJASIHBKBCOJN-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185750681 1387789842 /nfs/dbraw/zinc/78/98/42/1387789842.db2.gz LUGZHUZMYOITKZ-MOPGFXCFSA-N 2 1 339.568 3.371 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)CCC1 ZINC001105572632 1366538973 /nfs/dbraw/zinc/53/89/73/1366538973.db2.gz XKVSAPVXNBMUMG-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105579692 1366543106 /nfs/dbraw/zinc/54/31/06/1366543106.db2.gz SWJDYUHYOZFRNK-SFHVURJKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249655 1366633716 /nfs/dbraw/zinc/63/37/16/1366633716.db2.gz MGWLVKCTVDIMAO-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715899 1366779431 /nfs/dbraw/zinc/77/94/31/1366779431.db2.gz ONPJCXPNWKZZMH-FGTMMUONSA-N 2 1 346.519 3.045 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495097 1366994030 /nfs/dbraw/zinc/99/40/30/1366994030.db2.gz JOCPANGIBATDLR-WIYYLYMNSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189912947 1367130332 /nfs/dbraw/zinc/13/03/32/1367130332.db2.gz LENNGNCYPKBMMS-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189912947 1367130340 /nfs/dbraw/zinc/13/03/40/1367130340.db2.gz LENNGNCYPKBMMS-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001189912947 1367130343 /nfs/dbraw/zinc/13/03/43/1367130343.db2.gz LENNGNCYPKBMMS-RBUKOAKNSA-N 2 1 337.552 3.221 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190083363 1367168357 /nfs/dbraw/zinc/16/83/57/1367168357.db2.gz ANSMJOMWKWHHAZ-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190083363 1367168360 /nfs/dbraw/zinc/16/83/60/1367168360.db2.gz ANSMJOMWKWHHAZ-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190083363 1367168364 /nfs/dbraw/zinc/16/83/64/1367168364.db2.gz ANSMJOMWKWHHAZ-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744552 1367341167 /nfs/dbraw/zinc/34/11/67/1367341167.db2.gz RNDGKSIULBCCAF-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190744552 1367341171 /nfs/dbraw/zinc/34/11/71/1367341171.db2.gz RNDGKSIULBCCAF-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190744552 1367341174 /nfs/dbraw/zinc/34/11/74/1367341174.db2.gz RNDGKSIULBCCAF-OALUTQOASA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108803865 1367606033 /nfs/dbraw/zinc/60/60/33/1367606033.db2.gz HBTAGWIYNVLYKQ-UFYCRDLUSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191950572 1367647840 /nfs/dbraw/zinc/64/78/40/1367647840.db2.gz URZKMXIBKGYNSD-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191950572 1367647846 /nfs/dbraw/zinc/64/78/46/1367647846.db2.gz URZKMXIBKGYNSD-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191950572 1367647851 /nfs/dbraw/zinc/64/78/51/1367647851.db2.gz URZKMXIBKGYNSD-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193560329 1368061048 /nfs/dbraw/zinc/06/10/48/1368061048.db2.gz QOCWJOULRCDSEU-SFHVURJKSA-N 2 1 325.541 3.221 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001111127227 1368161614 /nfs/dbraw/zinc/16/16/14/1368161614.db2.gz BAOFSWOKJUZTDF-OWYHZJEWSA-N 2 1 344.503 3.056 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001111127227 1368161620 /nfs/dbraw/zinc/16/16/20/1368161620.db2.gz BAOFSWOKJUZTDF-OWYHZJEWSA-N 2 1 344.503 3.056 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001111127227 1368161622 /nfs/dbraw/zinc/16/16/22/1368161622.db2.gz BAOFSWOKJUZTDF-OWYHZJEWSA-N 2 1 344.503 3.056 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194071966 1368178689 /nfs/dbraw/zinc/17/86/89/1368178689.db2.gz KKZVXCMGILOXRS-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227333 1368212576 /nfs/dbraw/zinc/21/25/76/1368212576.db2.gz KAPSLGZWTHJHEX-PXNSSMCTSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194266770 1368219557 /nfs/dbraw/zinc/21/95/57/1368219557.db2.gz ZYAXHTBLCVDVLD-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266770 1368219561 /nfs/dbraw/zinc/21/95/61/1368219561.db2.gz ZYAXHTBLCVDVLD-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266770 1368219564 /nfs/dbraw/zinc/21/95/64/1368219564.db2.gz ZYAXHTBLCVDVLD-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655936 1368657448 /nfs/dbraw/zinc/65/74/48/1368657448.db2.gz LRRCZZHTLWGBJR-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353350 1368784756 /nfs/dbraw/zinc/78/47/56/1368784756.db2.gz CWRSTJVNQZDVMT-ZVDOUQERSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001197448297 1368816563 /nfs/dbraw/zinc/81/65/63/1368816563.db2.gz UUXWNJSENAKQSY-GOSISDBHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410504 1368830530 /nfs/dbraw/zinc/83/05/30/1368830530.db2.gz BGVPPEDFWXFCGU-ZJOUEHCJSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200578203 1369393514 /nfs/dbraw/zinc/39/35/14/1369393514.db2.gz OFXXRSIUMOUJEL-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001113434395 1369424965 /nfs/dbraw/zinc/42/49/65/1369424965.db2.gz FKJOMVCELOKAOZ-UHFFFAOYSA-N 2 1 334.508 3.086 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201399161 1369537179 /nfs/dbraw/zinc/53/71/79/1369537179.db2.gz IDZKMABIKDCTOA-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCCC[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001201814286 1369627883 /nfs/dbraw/zinc/62/78/83/1369627883.db2.gz NHMCUJAEZMYVPC-UHFFFAOYSA-N 2 1 347.547 3.171 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001203517956 1370152077 /nfs/dbraw/zinc/15/20/77/1370152077.db2.gz KKYGJDVUNDOGFX-FQEVSTJZSA-N 2 1 335.536 3.023 20 30 EGEDMP CC#CC[NH2+]C1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001115648565 1370636878 /nfs/dbraw/zinc/63/68/78/1370636878.db2.gz YAUYHXFCCYHVGE-UHFFFAOYSA-N 2 1 347.547 3.073 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729792 1370712265 /nfs/dbraw/zinc/71/22/65/1370712265.db2.gz SQSABFKCGDTABP-IBGZPJMESA-N 2 1 349.563 3.483 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730704 1370714262 /nfs/dbraw/zinc/71/42/62/1370714262.db2.gz PQIDIHJGCLWWIU-UHFFFAOYSA-N 2 1 335.536 3.093 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461824 1370762197 /nfs/dbraw/zinc/76/21/97/1370762197.db2.gz PBBHXNLBRWYQOT-FQEVSTJZSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461415 1370762338 /nfs/dbraw/zinc/76/23/38/1370762338.db2.gz IFUNFHCOYTXSDP-HXUWFJFHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461825 1370762545 /nfs/dbraw/zinc/76/25/45/1370762545.db2.gz PBBHXNLBRWYQOT-HXUWFJFHSA-N 2 1 347.547 3.188 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)cc2)c1 ZINC001205558420 1370791665 /nfs/dbraw/zinc/79/16/65/1370791665.db2.gz FAHRJSODPGGDHG-HXUWFJFHSA-N 2 1 338.430 3.273 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)cc2)c1 ZINC001206352450 1371030277 /nfs/dbraw/zinc/03/02/77/1371030277.db2.gz XROAHVKSUOYBPW-FQEVSTJZSA-N 2 1 338.430 3.273 20 30 EGEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)cc2)c1 ZINC001206352450 1371030281 /nfs/dbraw/zinc/03/02/81/1371030281.db2.gz XROAHVKSUOYBPW-FQEVSTJZSA-N 2 1 338.430 3.273 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207539137 1371428796 /nfs/dbraw/zinc/42/87/96/1371428796.db2.gz ZXLQJLNMRFKKBT-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207539137 1371428804 /nfs/dbraw/zinc/42/88/04/1371428804.db2.gz ZXLQJLNMRFKKBT-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207539137 1371428815 /nfs/dbraw/zinc/42/88/15/1371428815.db2.gz ZXLQJLNMRFKKBT-VAMGGRTRSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CCCCC1 ZINC001119990429 1371445316 /nfs/dbraw/zinc/44/53/16/1371445316.db2.gz YTCWIWIQWHYDEW-GOSISDBHSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001120450622 1371581106 /nfs/dbraw/zinc/58/11/06/1371581106.db2.gz XFRJEGMNEXVARN-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450622 1371581110 /nfs/dbraw/zinc/58/11/10/1371581110.db2.gz XFRJEGMNEXVARN-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001120450622 1371581114 /nfs/dbraw/zinc/58/11/14/1371581114.db2.gz XFRJEGMNEXVARN-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001120460565 1371584590 /nfs/dbraw/zinc/58/45/90/1371584590.db2.gz QJKDMBMZLIOLAP-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073984 1371588252 /nfs/dbraw/zinc/58/82/52/1371588252.db2.gz RNSPOYLWAJBZAR-CEXWTWQISA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129515 1371604385 /nfs/dbraw/zinc/60/43/85/1371604385.db2.gz XGFSSRGJVATMDW-WSTZPKSXSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129515 1371604390 /nfs/dbraw/zinc/60/43/90/1371604390.db2.gz XGFSSRGJVATMDW-WSTZPKSXSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129515 1371604396 /nfs/dbraw/zinc/60/43/96/1371604396.db2.gz XGFSSRGJVATMDW-WSTZPKSXSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001208279236 1371695521 /nfs/dbraw/zinc/69/55/21/1371695521.db2.gz LETNFKRTEJJJMU-OALUTQOASA-N 2 1 337.552 3.412 20 30 EGEDMP COC1CC[NH+](C2CC[NH+](CCCc3cccc(C#N)c3)CC2)CC1 ZINC001208853898 1371919288 /nfs/dbraw/zinc/91/92/88/1371919288.db2.gz ANRQAVFILSLAQZ-UHFFFAOYSA-N 2 1 341.499 3.066 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294950 1371926810 /nfs/dbraw/zinc/92/68/10/1371926810.db2.gz JGDLLZMYUFTIAF-MBEFBZSESA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211256971 1372513564 /nfs/dbraw/zinc/51/35/64/1372513564.db2.gz NMBQNXOIUZLCPR-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211336744 1372534061 /nfs/dbraw/zinc/53/40/61/1372534061.db2.gz CVMRMTXQNVLPDZ-FUHIMQAGSA-N 2 1 343.515 3.153 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211366659 1372541351 /nfs/dbraw/zinc/54/13/51/1372541351.db2.gz IJSQJHOWAKOMBO-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211366659 1372541354 /nfs/dbraw/zinc/54/13/54/1372541354.db2.gz IJSQJHOWAKOMBO-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001211366659 1372541357 /nfs/dbraw/zinc/54/13/57/1372541357.db2.gz IJSQJHOWAKOMBO-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170452 1375059221 /nfs/dbraw/zinc/05/92/21/1375059221.db2.gz XMHVFHCURREZAU-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132153640 1375173110 /nfs/dbraw/zinc/17/31/10/1375173110.db2.gz RTTLUEIZHBSKIO-MSOLQXFVSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132153640 1375173114 /nfs/dbraw/zinc/17/31/14/1375173114.db2.gz RTTLUEIZHBSKIO-MSOLQXFVSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)CC[C@H]1C ZINC001132153640 1375173119 /nfs/dbraw/zinc/17/31/19/1375173119.db2.gz RTTLUEIZHBSKIO-MSOLQXFVSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202026 1375205781 /nfs/dbraw/zinc/20/57/81/1375205781.db2.gz BAOZQTIHDQTZSJ-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132334631 1375313089 /nfs/dbraw/zinc/31/30/89/1375313089.db2.gz BCOAERXROSACQR-ZWKOTPCHSA-N 2 1 346.519 3.332 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132334631 1375313094 /nfs/dbraw/zinc/31/30/94/1375313094.db2.gz BCOAERXROSACQR-ZWKOTPCHSA-N 2 1 346.519 3.332 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132410068 1375358097 /nfs/dbraw/zinc/35/80/97/1375358097.db2.gz JKIAQWUDMPBIIO-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132410068 1375358104 /nfs/dbraw/zinc/35/81/04/1375358104.db2.gz JKIAQWUDMPBIIO-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410068 1375358108 /nfs/dbraw/zinc/35/81/08/1375358108.db2.gz JKIAQWUDMPBIIO-ROUUACIJSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132518967 1375437650 /nfs/dbraw/zinc/43/76/50/1375437650.db2.gz QQTWNSMSHJISDI-ZWKOTPCHSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132518967 1375437653 /nfs/dbraw/zinc/43/76/53/1375437653.db2.gz QQTWNSMSHJISDI-ZWKOTPCHSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132518967 1375437657 /nfs/dbraw/zinc/43/76/57/1375437657.db2.gz QQTWNSMSHJISDI-ZWKOTPCHSA-N 2 1 325.541 3.266 20 30 EGEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228852387 1375693768 /nfs/dbraw/zinc/69/37/68/1375693768.db2.gz KFJSVSJGFNCJDT-KZNAEPCWSA-N 2 1 346.519 3.378 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CC[C@@H]1C ZINC001133185853 1375829208 /nfs/dbraw/zinc/82/92/08/1375829208.db2.gz JZNHTQSBPWBXFD-RBUKOAKNSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001229544382 1375853235 /nfs/dbraw/zinc/85/32/35/1375853235.db2.gz GRWRBVGCTXMNDY-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001230591843 1376090715 /nfs/dbraw/zinc/09/07/15/1376090715.db2.gz LKIBSRINCADCBG-VQTJNVASSA-N 2 1 349.563 3.242 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC001235193004 1376860222 /nfs/dbraw/zinc/86/02/22/1376860222.db2.gz JVOFZAFQIYDZCK-WOJBJXKFSA-N 2 1 346.478 3.367 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159678 1388469494 /nfs/dbraw/zinc/46/94/94/1388469494.db2.gz FODPOMCQPRPENH-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159678 1388469498 /nfs/dbraw/zinc/46/94/98/1388469498.db2.gz FODPOMCQPRPENH-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159678 1388469501 /nfs/dbraw/zinc/46/95/01/1388469501.db2.gz FODPOMCQPRPENH-RBUKOAKNSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135690244 1377184341 /nfs/dbraw/zinc/18/43/41/1377184341.db2.gz GJKHGXWZJBXVDP-ROUUACIJSA-N 2 1 325.541 3.338 20 30 EGEDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCC#N)C3CCCC3)cc2)CC1 ZINC001139409710 1377880717 /nfs/dbraw/zinc/88/07/17/1377880717.db2.gz QFAALGPOIMKRRZ-UHFFFAOYSA-N 2 1 326.488 3.097 20 30 EGEDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)cc2)CC1 ZINC001140309328 1378044421 /nfs/dbraw/zinc/04/44/21/1378044421.db2.gz BLBSWYHUBHVWSY-UHFFFAOYSA-N 2 1 348.494 3.332 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001147716794 1379064453 /nfs/dbraw/zinc/06/44/53/1379064453.db2.gz NEDIOQBFFXCPPF-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716794 1379064458 /nfs/dbraw/zinc/06/44/58/1379064458.db2.gz NEDIOQBFFXCPPF-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001147716794 1379064465 /nfs/dbraw/zinc/06/44/65/1379064465.db2.gz NEDIOQBFFXCPPF-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001148147424 1379124750 /nfs/dbraw/zinc/12/47/50/1379124750.db2.gz RZWNKXRCAHSHLO-OALUTQOASA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001148147424 1379124752 /nfs/dbraw/zinc/12/47/52/1379124752.db2.gz RZWNKXRCAHSHLO-OALUTQOASA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001148147424 1379124758 /nfs/dbraw/zinc/12/47/58/1379124758.db2.gz RZWNKXRCAHSHLO-OALUTQOASA-N 2 1 349.563 3.221 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3ccnc3)C2)C1 ZINC001148357397 1379156096 /nfs/dbraw/zinc/15/60/96/1379156096.db2.gz MHUVMYODQCCTHR-SFHVURJKSA-N 2 1 344.503 3.115 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001148390424 1379163173 /nfs/dbraw/zinc/16/31/73/1379163173.db2.gz GVYNPTAOBMLDND-RBUKOAKNSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154482036 1380286332 /nfs/dbraw/zinc/28/63/32/1380286332.db2.gz WTEVSJNBNQWKHR-GOSISDBHSA-N 2 1 345.531 3.197 20 30 EGEDMP C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283108 1380433361 /nfs/dbraw/zinc/43/33/61/1380433361.db2.gz HYDLMMVTMFESTE-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155283108 1380433362 /nfs/dbraw/zinc/43/33/62/1380433362.db2.gz HYDLMMVTMFESTE-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155283108 1380433363 /nfs/dbraw/zinc/43/33/63/1380433363.db2.gz HYDLMMVTMFESTE-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001156306606 1380555042 /nfs/dbraw/zinc/55/50/42/1380555042.db2.gz QZPAWBBHCSEXBU-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156306606 1380555043 /nfs/dbraw/zinc/55/50/43/1380555043.db2.gz QZPAWBBHCSEXBU-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001156306606 1380555044 /nfs/dbraw/zinc/55/50/44/1380555044.db2.gz QZPAWBBHCSEXBU-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001156318719 1380557511 /nfs/dbraw/zinc/55/75/11/1380557511.db2.gz GVAJGOBJNLWFJL-QUCCMNQESA-N 2 1 345.531 3.472 20 30 EGEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318719 1380557513 /nfs/dbraw/zinc/55/75/13/1380557513.db2.gz GVAJGOBJNLWFJL-QUCCMNQESA-N 2 1 345.531 3.472 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001156318719 1380557514 /nfs/dbraw/zinc/55/75/14/1380557514.db2.gz GVAJGOBJNLWFJL-QUCCMNQESA-N 2 1 345.531 3.472 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158100008 1381127908 /nfs/dbraw/zinc/12/79/08/1381127908.db2.gz UTBIHICPZHOMAB-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383451 1382392488 /nfs/dbraw/zinc/39/24/88/1382392488.db2.gz YKBQJOXJSGFMMK-UHFFFAOYSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001161383451 1382392492 /nfs/dbraw/zinc/39/24/92/1382392492.db2.gz YKBQJOXJSGFMMK-UHFFFAOYSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161391925 1382396974 /nfs/dbraw/zinc/39/69/74/1382396974.db2.gz ZEYUDXGTIZPWDM-GOSISDBHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001161491089 1382420823 /nfs/dbraw/zinc/42/08/23/1382420823.db2.gz FWNQJMFBOLZLSA-HXUWFJFHSA-N 2 1 349.563 3.457 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161704926 1382485255 /nfs/dbraw/zinc/48/52/55/1382485255.db2.gz KURPNOKDAARXQO-UXHICEINSA-N 2 1 347.547 3.211 20 30 EGEDMP N#Cc1c2c(c[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1)CCN2Cc1ccccc1 ZINC001162393321 1382745766 /nfs/dbraw/zinc/74/57/66/1382745766.db2.gz JZYWRJOCUVIXOG-MSOLQXFVSA-N 2 1 347.466 3.198 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153138 1383828397 /nfs/dbraw/zinc/82/83/97/1383828397.db2.gz JJOMMQOWQHCQMZ-UHFFFAOYSA-N 2 1 334.508 3.038 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCC([NH+](C)C)CC1)[C@H]2CC ZINC001168319044 1383871530 /nfs/dbraw/zinc/87/15/30/1383871530.db2.gz MPUUFCNWPQWQMI-XSNSTOHYSA-N 2 1 347.547 3.281 20 30 EGEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)CC1 ZINC001168326970 1383873089 /nfs/dbraw/zinc/87/30/89/1383873089.db2.gz GUIIGZNMZMQYGM-ACBHZAAOSA-N 2 1 327.472 3.274 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335412 1383875813 /nfs/dbraw/zinc/87/58/13/1383875813.db2.gz IACISLCKOLQXKL-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169799658 1384187452 /nfs/dbraw/zinc/18/74/52/1384187452.db2.gz WTWUKKOCPPKEQI-ZWKOTPCHSA-N 2 1 325.541 3.316 20 30 EGEDMP COc1cccc(C2([NH3+])CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)c1 ZINC001171198191 1384466887 /nfs/dbraw/zinc/46/68/87/1384466887.db2.gz IPCXGUGSPYWKFC-KRWDZBQOSA-N 2 1 349.478 3.448 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175295214 1385242205 /nfs/dbraw/zinc/24/22/05/1385242205.db2.gz DPPBAMPZKVQPAR-IBGZPJMESA-N 2 1 345.531 3.002 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001175296454 1385242945 /nfs/dbraw/zinc/24/29/45/1385242945.db2.gz PBACALOCFOLPIL-LJQANCHMSA-N 2 1 345.531 3.002 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001175572801 1385335670 /nfs/dbraw/zinc/33/56/70/1385335670.db2.gz MGJVKDWQYNQEJL-SJORKVTESA-N 2 1 343.943 3.266 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001177317201 1385911134 /nfs/dbraw/zinc/91/11/34/1385911134.db2.gz QKFAKDLSODDFNV-PMACEKPBSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001177323535 1385914241 /nfs/dbraw/zinc/91/42/41/1385914241.db2.gz ANZCRMVNRVCYAD-VQTJNVASSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001177440932 1385958047 /nfs/dbraw/zinc/95/80/47/1385958047.db2.gz UUDOBIXVVLSNQN-UXHICEINSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688720 1386278045 /nfs/dbraw/zinc/27/80/45/1386278045.db2.gz HUKWJBQJXCJHCX-FHWLQOOXSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001178693340 1386280067 /nfs/dbraw/zinc/28/00/67/1386280067.db2.gz NMRMFEPOZPPJBC-LJQANCHMSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001179745604 1386569973 /nfs/dbraw/zinc/56/99/73/1386569973.db2.gz DLDGYKYOSABCHF-IBGZPJMESA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001700094410 1413508513 /nfs/dbraw/zinc/50/85/13/1413508513.db2.gz JQMSOAYRNMOKRI-HNNXBMFYSA-N 2 1 349.906 3.190 20 30 EGEDMP C=C(C)C[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001724892914 1425281945 /nfs/dbraw/zinc/28/19/45/1425281945.db2.gz QFESXUFDOIAJER-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001752837295 1440228554 /nfs/dbraw/zinc/22/85/54/1440228554.db2.gz RVCDENURIVVDME-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753377646 1440387412 /nfs/dbraw/zinc/38/74/12/1440387412.db2.gz GHEKNZXPTNKPRW-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753377646 1440387413 /nfs/dbraw/zinc/38/74/13/1440387413.db2.gz GHEKNZXPTNKPRW-GOSISDBHSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001753440497 1440401521 /nfs/dbraw/zinc/40/15/21/1440401521.db2.gz YFHNZCMWSUHQFD-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001753440497 1440401522 /nfs/dbraw/zinc/40/15/22/1440401522.db2.gz YFHNZCMWSUHQFD-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001753440497 1440401523 /nfs/dbraw/zinc/40/15/23/1440401523.db2.gz YFHNZCMWSUHQFD-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001753472790 1440414395 /nfs/dbraw/zinc/41/43/95/1440414395.db2.gz BGJTVHCNRRSPDU-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001754560425 1440633510 /nfs/dbraw/zinc/63/35/10/1440633510.db2.gz KZVLJFWWTACTNN-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001754567806 1440636317 /nfs/dbraw/zinc/63/63/17/1440636317.db2.gz UEDFRVPEQFMAEH-CTNGQTDRSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001754567806 1440636318 /nfs/dbraw/zinc/63/63/18/1440636318.db2.gz UEDFRVPEQFMAEH-CTNGQTDRSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001754567806 1440636319 /nfs/dbraw/zinc/63/63/19/1440636319.db2.gz UEDFRVPEQFMAEH-CTNGQTDRSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001754567809 1440636457 /nfs/dbraw/zinc/63/64/57/1440636457.db2.gz UEDFRVPEQFMAEH-TZIWHRDSSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001754567809 1440636458 /nfs/dbraw/zinc/63/64/58/1440636458.db2.gz UEDFRVPEQFMAEH-TZIWHRDSSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001754567809 1440636459 /nfs/dbraw/zinc/63/64/59/1440636459.db2.gz UEDFRVPEQFMAEH-TZIWHRDSSA-N 2 1 349.563 3.223 20 30 EGEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001754696706 1440667135 /nfs/dbraw/zinc/66/71/35/1440667135.db2.gz BQMUOKKZNSIVKQ-FPOVZHCZSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001754782587 1440686663 /nfs/dbraw/zinc/68/66/63/1440686663.db2.gz DQZKEJSIXWZSCM-HXUWFJFHSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001754947139 1440713702 /nfs/dbraw/zinc/71/37/02/1440713702.db2.gz GLUPFGQWHSLXNQ-QGZVFWFLSA-N 2 1 340.471 3.125 20 30 EGEDMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001755042363 1440738222 /nfs/dbraw/zinc/73/82/22/1440738222.db2.gz MEYCIHXPFUGFMY-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001755042363 1440738223 /nfs/dbraw/zinc/73/82/23/1440738223.db2.gz MEYCIHXPFUGFMY-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001755042363 1440738224 /nfs/dbraw/zinc/73/82/24/1440738224.db2.gz MEYCIHXPFUGFMY-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001755139296 1440759550 /nfs/dbraw/zinc/75/95/50/1440759550.db2.gz VKCKNBMJHWIFBK-SJORKVTESA-N 2 1 335.536 3.042 20 30 EGEDMP CC#CC[NH2+]CC1(NC(=O)CC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC001755352082 1440828177 /nfs/dbraw/zinc/82/81/77/1440828177.db2.gz NKRCHMCUBAWZGK-UHFFFAOYSA-N 2 1 347.547 3.073 20 30 EGEDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688789 252140912 /nfs/dbraw/zinc/14/09/12/252140912.db2.gz OMGVZQMIOXUTQN-SLYNCCJLSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688789 252140915 /nfs/dbraw/zinc/14/09/15/252140915.db2.gz OMGVZQMIOXUTQN-SLYNCCJLSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688789 252140918 /nfs/dbraw/zinc/14/09/18/252140918.db2.gz OMGVZQMIOXUTQN-SLYNCCJLSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688789 252140921 /nfs/dbraw/zinc/14/09/21/252140921.db2.gz OMGVZQMIOXUTQN-SLYNCCJLSA-N 2 1 341.499 3.178 20 30 EGEDMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1C#N ZINC000192919913 153267123 /nfs/dbraw/zinc/26/71/23/153267123.db2.gz HDOXWFZYVMKUIR-LJQANCHMSA-N 2 1 335.451 3.179 20 30 EGEDMP C[NH+]1CCC2(CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)CC1 ZINC000366907977 168155316 /nfs/dbraw/zinc/15/53/16/168155316.db2.gz COXYFJUUDXWFCU-UHFFFAOYSA-N 2 1 327.472 3.135 20 30 EGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544711 266155303 /nfs/dbraw/zinc/15/53/03/266155303.db2.gz YYCYGVBJSHESLK-ZFWWWQNUSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544711 266155305 /nfs/dbraw/zinc/15/53/05/266155305.db2.gz YYCYGVBJSHESLK-ZFWWWQNUSA-N 2 1 334.489 3.402 20 30 EGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000329544711 266155307 /nfs/dbraw/zinc/15/53/07/266155307.db2.gz YYCYGVBJSHESLK-ZFWWWQNUSA-N 2 1 334.489 3.402 20 30 EGEDMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271974214 267181527 /nfs/dbraw/zinc/18/15/27/267181527.db2.gz VFXIFHMFAWBOOJ-XHSDSOJGSA-N 2 1 333.451 3.237 20 30 EGEDMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000183103396 455229601 /nfs/dbraw/zinc/22/96/01/455229601.db2.gz RATKNHBGDYDZCV-RDJZCZTQSA-N 2 1 327.472 3.309 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000057969803 454158313 /nfs/dbraw/zinc/15/83/13/454158313.db2.gz RIASLYRZNVEDBP-GOSISDBHSA-N 2 1 332.488 3.470 20 30 EGEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2)[NH+]2CCCC2)cc1 ZINC000066242522 454671479 /nfs/dbraw/zinc/67/14/79/454671479.db2.gz QFFXQZDWBXLPFK-IBGZPJMESA-N 2 1 338.455 3.259 20 30 EGEDMP C=CCc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(OC)c1O ZINC000113335775 454922881 /nfs/dbraw/zinc/92/28/81/454922881.db2.gz DKNZASJJYSBECS-CQSZACIVSA-N 2 1 329.444 3.060 20 30 EGEDMP C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156909153 455156411 /nfs/dbraw/zinc/15/64/11/455156411.db2.gz BUVMYAHWFSVVQH-ZWOKBUDYSA-N 2 1 343.515 3.074 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000267440881 455550550 /nfs/dbraw/zinc/55/05/50/455550550.db2.gz OZOMUOFULNNSBO-GOSISDBHSA-N 2 1 338.455 3.086 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000253354792 455833884 /nfs/dbraw/zinc/83/38/84/455833884.db2.gz MOQMQPGIXYAQMU-BMQTXXJKSA-N 2 1 341.499 3.468 20 30 EGEDMP COc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1C#N ZINC000285834949 455925774 /nfs/dbraw/zinc/92/57/74/455925774.db2.gz XBUCANSPIDNIHN-UHFFFAOYSA-N 2 1 327.428 3.114 20 30 EGEDMP COc1ccc(CN(C)CCC[N@H+](C)Cc2ccco2)cc1C#N ZINC000285834949 455925777 /nfs/dbraw/zinc/92/57/77/455925777.db2.gz XBUCANSPIDNIHN-UHFFFAOYSA-N 2 1 327.428 3.114 20 30 EGEDMP COc1ccc(CN(C)CCC[N@@H+](C)Cc2ccco2)cc1C#N ZINC000285834949 455925779 /nfs/dbraw/zinc/92/57/79/455925779.db2.gz XBUCANSPIDNIHN-UHFFFAOYSA-N 2 1 327.428 3.114 20 30 EGEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270571946 455985930 /nfs/dbraw/zinc/98/59/30/455985930.db2.gz NGIREOMLECKRQM-BBRMVZONSA-N 2 1 340.874 3.032 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)ccc1OC ZINC000290622419 456385508 /nfs/dbraw/zinc/38/55/08/456385508.db2.gz XKECZFFDQZOPFF-FUHWJXTLSA-N 2 1 332.488 3.422 20 30 EGEDMP C=C(C)COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290622419 456385514 /nfs/dbraw/zinc/38/55/14/456385514.db2.gz XKECZFFDQZOPFF-FUHWJXTLSA-N 2 1 332.488 3.422 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290622419 456385518 /nfs/dbraw/zinc/38/55/18/456385518.db2.gz XKECZFFDQZOPFF-FUHWJXTLSA-N 2 1 332.488 3.422 20 30 EGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC2 ZINC000353413881 456686564 /nfs/dbraw/zinc/68/65/64/456686564.db2.gz RFWNEABXLZIVGW-JOCHJYFZSA-N 2 1 347.462 3.168 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292117416 456859499 /nfs/dbraw/zinc/85/94/99/456859499.db2.gz KPTSIXSXVJMUHG-INIZCTEOSA-N 2 1 329.488 3.080 20 30 EGEDMP Cn1ccnc1[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)C1CCOCC1 ZINC000329440555 456890468 /nfs/dbraw/zinc/89/04/68/456890468.db2.gz JXHVSRXPJORFIQ-AEFFLSMTSA-N 2 1 348.491 3.109 20 30 EGEDMP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363581934 457371210 /nfs/dbraw/zinc/37/12/10/457371210.db2.gz BRORXMJTACVJLJ-ZWKOTPCHSA-N 2 1 330.472 3.367 20 30 EGEDMP C=C(C)COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000363581934 457371216 /nfs/dbraw/zinc/37/12/16/457371216.db2.gz BRORXMJTACVJLJ-ZWKOTPCHSA-N 2 1 330.472 3.367 20 30 EGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC(C)(C)CCC#N)CC2)CC1 ZINC000374285105 457568994 /nfs/dbraw/zinc/56/89/94/457568994.db2.gz RUCNVVXDMOMAIN-UHFFFAOYSA-N 2 1 348.579 3.444 20 30 EGEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(C)(C)CCC#N ZINC000374285105 457568998 /nfs/dbraw/zinc/56/89/98/457568998.db2.gz RUCNVVXDMOMAIN-UHFFFAOYSA-N 3 1 348.579 3.444 20 30 EGEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(C)(C)CCC#N ZINC000374285105 457569008 /nfs/dbraw/zinc/56/90/08/457569008.db2.gz RUCNVVXDMOMAIN-UHFFFAOYSA-N 3 1 348.579 3.444 20 30 EGEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358140378 457810180 /nfs/dbraw/zinc/81/01/80/457810180.db2.gz MXQFDIPHKGDEDH-GWFLUQINSA-N 2 1 327.472 3.178 20 30 EGEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000358140378 457810184 /nfs/dbraw/zinc/81/01/84/457810184.db2.gz MXQFDIPHKGDEDH-GWFLUQINSA-N 2 1 327.472 3.178 20 30 EGEDMP C=CCC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000533498499 459243403 /nfs/dbraw/zinc/24/34/03/459243403.db2.gz NRXIGWPFCMHXNB-ZWKOTPCHSA-N 2 1 333.545 3.371 20 30 EGEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1cccs1 ZINC000598718884 460004376 /nfs/dbraw/zinc/00/43/76/460004376.db2.gz HKNAAEXFVUICLS-HLLBOEOZSA-N 2 1 335.517 3.021 20 30 EGEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1cccs1 ZINC000598718884 460004377 /nfs/dbraw/zinc/00/43/77/460004377.db2.gz HKNAAEXFVUICLS-HLLBOEOZSA-N 2 1 335.517 3.021 20 30 EGEDMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000611807462 460468124 /nfs/dbraw/zinc/46/81/24/460468124.db2.gz MFJULNQREALRON-HTAPYJJXSA-N 2 1 349.478 3.333 20 30 EGEDMP C=CCc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(OC)c1O ZINC000663346559 461577798 /nfs/dbraw/zinc/57/77/98/461577798.db2.gz UUGHEIBZWUMKRY-KRWDZBQOSA-N 2 1 344.499 3.341 20 30 EGEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093693531 1292931041 /nfs/dbraw/zinc/93/10/41/1292931041.db2.gz XKYWKFVYHSEURO-LJQANCHMSA-N 2 1 328.504 3.200 20 30 EGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000093693531 1292931053 /nfs/dbraw/zinc/93/10/53/1292931053.db2.gz XKYWKFVYHSEURO-LJQANCHMSA-N 2 1 328.504 3.200 20 30 EGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000120804939 1293340681 /nfs/dbraw/zinc/34/06/81/1293340681.db2.gz PERBMMLOXQZHBK-PKOBYXMFSA-N 2 1 329.488 3.435 20 30 EGEDMP CCC[N@@H+](CC)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160715959 1294275831 /nfs/dbraw/zinc/27/58/31/1294275831.db2.gz FJDKEEKLUBSPQJ-UHFFFAOYSA-N 2 1 332.370 3.044 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000164398856 1294348079 /nfs/dbraw/zinc/34/80/79/1294348079.db2.gz WNDZQLSYVUSOGC-INIZCTEOSA-N 2 1 330.472 3.047 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000164772207 1294352651 /nfs/dbraw/zinc/35/26/51/1294352651.db2.gz JQIOASXFAZAKQR-YLJYHZDGSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1O ZINC000164772207 1294352656 /nfs/dbraw/zinc/35/26/56/1294352656.db2.gz JQIOASXFAZAKQR-YLJYHZDGSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000164772207 1294352659 /nfs/dbraw/zinc/35/26/59/1294352659.db2.gz JQIOASXFAZAKQR-YLJYHZDGSA-N 2 1 344.499 3.436 20 30 EGEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCCC2)[C@H]1c1cccs1 ZINC000262482146 1296635023 /nfs/dbraw/zinc/63/50/23/1296635023.db2.gz IDJOGKWSZHQBIU-RDJZCZTQSA-N 2 1 334.533 3.322 20 30 EGEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303723929 1296846036 /nfs/dbraw/zinc/84/60/36/1296846036.db2.gz ZJMVVDGEZDUPPJ-AAEUAGOBSA-N 2 1 343.302 3.443 20 30 EGEDMP CC1CC[NH+]([C@@H](CNC(=[NH2+])N2CCCCC2)c2cccs2)CC1 ZINC000303779637 1296852155 /nfs/dbraw/zinc/85/21/55/1296852155.db2.gz KSRCVDIGZKNYEH-INIZCTEOSA-N 2 1 334.533 3.322 20 30 EGEDMP C=C(C)CNC(=[NH2+])NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000303911447 1296879036 /nfs/dbraw/zinc/87/90/36/1296879036.db2.gz ZPTNIXYWQYXGHA-CALCHBBNSA-N 2 1 328.504 3.145 20 30 EGEDMP C=C(C[NH+](C)C)C(=O)N(CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000764474438 1302068257 /nfs/dbraw/zinc/06/82/57/1302068257.db2.gz ZTVHEGRYMRLAPA-FQEVSTJZSA-N 2 1 343.515 3.007 20 30 EGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471267 1303119986 /nfs/dbraw/zinc/11/99/86/1303119986.db2.gz RQBBJLGVBINOTD-FXAWDEMLSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471267 1303119994 /nfs/dbraw/zinc/11/99/94/1303119994.db2.gz RQBBJLGVBINOTD-FXAWDEMLSA-N 2 1 328.504 3.341 20 30 EGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1C ZINC000769471267 1303119999 /nfs/dbraw/zinc/11/99/99/1303119999.db2.gz RQBBJLGVBINOTD-FXAWDEMLSA-N 2 1 328.504 3.341 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769516989 1303133777 /nfs/dbraw/zinc/13/37/77/1303133777.db2.gz XUTGYLTZMQXZEN-LPHOPBHVSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000769516989 1303133781 /nfs/dbraw/zinc/13/37/81/1303133781.db2.gz XUTGYLTZMQXZEN-LPHOPBHVSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000769516989 1303133784 /nfs/dbraw/zinc/13/37/84/1303133784.db2.gz XUTGYLTZMQXZEN-LPHOPBHVSA-N 2 1 327.472 3.141 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000769516989 1303133789 /nfs/dbraw/zinc/13/37/89/1303133789.db2.gz XUTGYLTZMQXZEN-LPHOPBHVSA-N 2 1 327.472 3.141 20 30 EGEDMP C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1C[NH+](C)[C@@H](C)C#C ZINC000769978341 1303201622 /nfs/dbraw/zinc/20/16/22/1303201622.db2.gz XEMAHAIJZKVKJC-CABCVRRESA-N 2 1 347.300 3.356 20 30 EGEDMP C#C[C@@H](C)[NH+](C)Cc1ccc(Br)cc1C[N@H+](C)[C@@H](C)C#C ZINC000769978341 1303201630 /nfs/dbraw/zinc/20/16/30/1303201630.db2.gz XEMAHAIJZKVKJC-CABCVRRESA-N 2 1 347.300 3.356 20 30 EGEDMP C#C[C@@H](C)[NH+](C)Cc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)C#C ZINC000769978341 1303201637 /nfs/dbraw/zinc/20/16/37/1303201637.db2.gz XEMAHAIJZKVKJC-CABCVRRESA-N 2 1 347.300 3.356 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414277 1319518542 /nfs/dbraw/zinc/51/85/42/1319518542.db2.gz POCQWKHRLSZXNH-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414277 1319518550 /nfs/dbraw/zinc/51/85/50/1319518550.db2.gz POCQWKHRLSZXNH-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414277 1319518558 /nfs/dbraw/zinc/51/85/58/1319518558.db2.gz POCQWKHRLSZXNH-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000961377061 1319533312 /nfs/dbraw/zinc/53/33/12/1319533312.db2.gz WQPCDIHTEUTDHK-PMACEKPBSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001025231147 1324017271 /nfs/dbraw/zinc/01/72/71/1324017271.db2.gz GNYVEIFETYGJHM-RBUKOAKNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001026571658 1324904723 /nfs/dbraw/zinc/90/47/23/1324904723.db2.gz GOPCDJLMSIZHAU-OFLPRAFFSA-N 2 1 341.927 3.019 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000963419204 1325229061 /nfs/dbraw/zinc/22/90/61/1325229061.db2.gz CPPMWJJOEFRRJB-AFMYVXGZSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@@H](CO)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000926545030 1327609445 /nfs/dbraw/zinc/60/94/45/1327609445.db2.gz GOLLRCQWSIRDAZ-UDEWTMQYSA-N 2 1 328.500 3.489 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485380 1328318586 /nfs/dbraw/zinc/31/85/86/1328318586.db2.gz BEZSVRHZXUHLAF-NVXWUHKLSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485380 1328318591 /nfs/dbraw/zinc/31/85/91/1328318591.db2.gz BEZSVRHZXUHLAF-NVXWUHKLSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942100042 1331830499 /nfs/dbraw/zinc/83/04/99/1331830499.db2.gz MXPFIXGHEIYGRY-DOTOQJQBSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947309564 1333084124 /nfs/dbraw/zinc/08/41/24/1333084124.db2.gz FMAMCBHKJRYHRM-ZWKOTPCHSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908268 1333302274 /nfs/dbraw/zinc/30/22/74/1333302274.db2.gz QUBICYOAKJEMJZ-YLJYHZDGSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057684 1333358777 /nfs/dbraw/zinc/35/87/77/1333358777.db2.gz XSUUSPKRQIOMKX-CRAIPNDOSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948057684 1333358780 /nfs/dbraw/zinc/35/87/80/1333358780.db2.gz XSUUSPKRQIOMKX-CRAIPNDOSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC000948079010 1333368246 /nfs/dbraw/zinc/36/82/46/1333368246.db2.gz RNZMGHQTRULKMT-IAGOWNOFSA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434331 1333523276 /nfs/dbraw/zinc/52/32/76/1333523276.db2.gz AYXWOQVRPRPDSF-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434331 1333523278 /nfs/dbraw/zinc/52/32/78/1333523278.db2.gz AYXWOQVRPRPDSF-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434331 1333523280 /nfs/dbraw/zinc/52/32/80/1333523280.db2.gz AYXWOQVRPRPDSF-WOJBJXKFSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000948439512 1333525261 /nfs/dbraw/zinc/52/52/61/1333525261.db2.gz QVCLABCGOZBGED-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000948439512 1333525265 /nfs/dbraw/zinc/52/52/65/1333525265.db2.gz QVCLABCGOZBGED-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000948439512 1333525267 /nfs/dbraw/zinc/52/52/67/1333525267.db2.gz QVCLABCGOZBGED-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948440029 1333526623 /nfs/dbraw/zinc/52/66/23/1333526623.db2.gz ZUTSZBXHDXBKNT-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440029 1333526625 /nfs/dbraw/zinc/52/66/25/1333526625.db2.gz ZUTSZBXHDXBKNT-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440029 1333526628 /nfs/dbraw/zinc/52/66/28/1333526628.db2.gz ZUTSZBXHDXBKNT-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888435 1336080562 /nfs/dbraw/zinc/08/05/62/1336080562.db2.gz VCNBUXQJTWOTNU-QZTJIDSGSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968888435 1336080565 /nfs/dbraw/zinc/08/05/65/1336080565.db2.gz VCNBUXQJTWOTNU-QZTJIDSGSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928181 1336092921 /nfs/dbraw/zinc/09/29/21/1336092921.db2.gz DTNQRGLFDRUSJO-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928181 1336092922 /nfs/dbraw/zinc/09/29/22/1336092922.db2.gz DTNQRGLFDRUSJO-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928181 1336092925 /nfs/dbraw/zinc/09/29/25/1336092925.db2.gz DTNQRGLFDRUSJO-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000969002615 1336115358 /nfs/dbraw/zinc/11/53/58/1336115358.db2.gz YQNPITSHMAOLAJ-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000969002615 1336115359 /nfs/dbraw/zinc/11/53/59/1336115359.db2.gz YQNPITSHMAOLAJ-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000969002615 1336115361 /nfs/dbraw/zinc/11/53/61/1336115361.db2.gz YQNPITSHMAOLAJ-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153705 1336164712 /nfs/dbraw/zinc/16/47/12/1336164712.db2.gz NJQMDVTUXAEKPC-HXUWFJFHSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093048 1340421133 /nfs/dbraw/zinc/42/11/33/1340421133.db2.gz GMAOLQKOUKTGCO-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093048 1340421138 /nfs/dbraw/zinc/42/11/38/1340421138.db2.gz GMAOLQKOUKTGCO-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093048 1340421141 /nfs/dbraw/zinc/42/11/41/1340421141.db2.gz GMAOLQKOUKTGCO-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437565 1342500049 /nfs/dbraw/zinc/50/00/49/1342500049.db2.gz HJOKZYBVJPSMLJ-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001034716363 1342711111 /nfs/dbraw/zinc/71/11/11/1342711111.db2.gz YVONMGHQDDSCHA-QWFCFKBJSA-N 2 1 347.547 3.377 20 30 EGEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837109 1343220476 /nfs/dbraw/zinc/22/04/76/1343220476.db2.gz HAUVUBFAJPQKKS-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230416 1345386393 /nfs/dbraw/zinc/38/63/93/1345386393.db2.gz CEMNEVBSWDKWAP-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230416 1345386397 /nfs/dbraw/zinc/38/63/97/1345386397.db2.gz CEMNEVBSWDKWAP-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230416 1345386401 /nfs/dbraw/zinc/38/64/01/1345386401.db2.gz CEMNEVBSWDKWAP-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040431415 1345494652 /nfs/dbraw/zinc/49/46/52/1345494652.db2.gz IBBSFSJCDVEOLY-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431415 1345494654 /nfs/dbraw/zinc/49/46/54/1345494654.db2.gz IBBSFSJCDVEOLY-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431415 1345494656 /nfs/dbraw/zinc/49/46/56/1345494656.db2.gz IBBSFSJCDVEOLY-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH+]1CCC2(CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)CC1 ZINC001040754136 1345574578 /nfs/dbraw/zinc/57/45/78/1345574578.db2.gz FXSQWGJDBWAZNX-UHFFFAOYSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041726506 1345833548 /nfs/dbraw/zinc/83/35/48/1345833548.db2.gz ZMQSTPFLLJDEPA-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001041780654 1345847216 /nfs/dbraw/zinc/84/72/16/1345847216.db2.gz CLVCADXZADHHRC-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041780654 1345847219 /nfs/dbraw/zinc/84/72/19/1345847219.db2.gz CLVCADXZADHHRC-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C2)C1 ZINC001041780654 1345847222 /nfs/dbraw/zinc/84/72/22/1345847222.db2.gz CLVCADXZADHHRC-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945183 1346780921 /nfs/dbraw/zinc/78/09/21/1346780921.db2.gz NXVMXYBDSRCSDF-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945183 1346780922 /nfs/dbraw/zinc/78/09/22/1346780922.db2.gz NXVMXYBDSRCSDF-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945183 1346780923 /nfs/dbraw/zinc/78/09/23/1346780923.db2.gz NXVMXYBDSRCSDF-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001045945157 1346780965 /nfs/dbraw/zinc/78/09/65/1346780965.db2.gz NKGUJBJJVNQIAA-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945157 1346780966 /nfs/dbraw/zinc/78/09/66/1346780966.db2.gz NKGUJBJJVNQIAA-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001045945157 1346780970 /nfs/dbraw/zinc/78/09/70/1346780970.db2.gz NKGUJBJJVNQIAA-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761487 1348006363 /nfs/dbraw/zinc/00/63/63/1348006363.db2.gz KUUBZSYTAZKYCA-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761487 1348006367 /nfs/dbraw/zinc/00/63/67/1348006367.db2.gz KUUBZSYTAZKYCA-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001049913917 1348109038 /nfs/dbraw/zinc/10/90/38/1348109038.db2.gz KDLNTDDTYWOHMD-ZCNNSNEGSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049918812 1348112229 /nfs/dbraw/zinc/11/22/29/1348112229.db2.gz MRGKCGNIOGPELK-VQTJNVASSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C[NH+](C)C ZINC001049921410 1348114059 /nfs/dbraw/zinc/11/40/59/1348114059.db2.gz WGMZXHFJFLBHBS-VQTJNVASSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001052967391 1348778433 /nfs/dbraw/zinc/77/84/33/1348778433.db2.gz HEAXNJJLJCKQJB-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)C[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)cc2C1 ZINC001054264868 1349262414 /nfs/dbraw/zinc/26/24/14/1349262414.db2.gz UPPWUOZKUILPDD-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264868 1349262416 /nfs/dbraw/zinc/26/24/16/1349262416.db2.gz UPPWUOZKUILPDD-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)cc2C1 ZINC001054264868 1349262421 /nfs/dbraw/zinc/26/24/21/1349262421.db2.gz UPPWUOZKUILPDD-HXUWFJFHSA-N 2 1 341.499 3.067 20 30 EGEDMP C=CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)cc2C1 ZINC001054267124 1349264117 /nfs/dbraw/zinc/26/41/17/1349264117.db2.gz ARIBYSSYSIGXHN-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267124 1349264119 /nfs/dbraw/zinc/26/41/19/1349264119.db2.gz ARIBYSSYSIGXHN-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3CCC)cc2C1 ZINC001054267124 1349264120 /nfs/dbraw/zinc/26/41/20/1349264120.db2.gz ARIBYSSYSIGXHN-FQEVSTJZSA-N 2 1 341.499 3.069 20 30 EGEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)c3ccccc3C[NH+](C)C)cc2C1 ZINC001054292637 1349298206 /nfs/dbraw/zinc/29/82/06/1349298206.db2.gz PRGYMGPIAKVSAX-UHFFFAOYSA-N 2 1 349.478 3.180 20 30 EGEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ccccc3C[NH+](C)C)cc2C1 ZINC001054292637 1349298213 /nfs/dbraw/zinc/29/82/13/1349298213.db2.gz PRGYMGPIAKVSAX-UHFFFAOYSA-N 2 1 349.478 3.180 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071958180 1355042859 /nfs/dbraw/zinc/04/28/59/1355042859.db2.gz VCEXVHBCXLOEOF-IEBWSBKVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781675 1359640626 /nfs/dbraw/zinc/64/06/26/1359640626.db2.gz XSZAZYQXWQDAJK-RBUKOAKNSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001088367245 1359851729 /nfs/dbraw/zinc/85/17/29/1359851729.db2.gz FWNJTWZRGUHKSG-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089638905 1360552334 /nfs/dbraw/zinc/55/23/34/1360552334.db2.gz IYURUBUGJOBEDE-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638905 1360552336 /nfs/dbraw/zinc/55/23/36/1360552336.db2.gz IYURUBUGJOBEDE-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089638905 1360552339 /nfs/dbraw/zinc/55/23/39/1360552339.db2.gz IYURUBUGJOBEDE-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687076 1360592758 /nfs/dbraw/zinc/59/27/58/1360592758.db2.gz DWLFVHWNHPWCSD-QGZVFWFLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001089687076 1360592760 /nfs/dbraw/zinc/59/27/60/1360592760.db2.gz DWLFVHWNHPWCSD-QGZVFWFLSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891408 1387556265 /nfs/dbraw/zinc/55/62/65/1387556265.db2.gz FYUUSDZYSUFAGS-RBUKOAKNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106372 1363624849 /nfs/dbraw/zinc/62/48/49/1363624849.db2.gz DWULGQWKTPLJOG-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106372 1363624851 /nfs/dbraw/zinc/62/48/51/1363624851.db2.gz DWULGQWKTPLJOG-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106372 1363624852 /nfs/dbraw/zinc/62/48/52/1363624852.db2.gz DWULGQWKTPLJOG-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001099240575 1363709483 /nfs/dbraw/zinc/70/94/83/1363709483.db2.gz SOHOQLJHFMUBKG-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099240575 1363709485 /nfs/dbraw/zinc/70/94/85/1363709485.db2.gz SOHOQLJHFMUBKG-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001099240575 1363709488 /nfs/dbraw/zinc/70/94/88/1363709488.db2.gz SOHOQLJHFMUBKG-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281377 1363730299 /nfs/dbraw/zinc/73/02/99/1363730299.db2.gz TYJPETSXQDNOAP-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100470844 1364126736 /nfs/dbraw/zinc/12/67/36/1364126736.db2.gz DIBSOQFEIRJJGX-MHJFOBGBSA-N 2 1 349.563 3.338 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520655 1365097056 /nfs/dbraw/zinc/09/70/56/1365097056.db2.gz UHUYDDFRPIKRLP-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102600213 1365131648 /nfs/dbraw/zinc/13/16/48/1365131648.db2.gz SQWJVCVRKWORCO-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600213 1365131651 /nfs/dbraw/zinc/13/16/51/1365131651.db2.gz SQWJVCVRKWORCO-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600213 1365131653 /nfs/dbraw/zinc/13/16/53/1365131653.db2.gz SQWJVCVRKWORCO-AQNXPRMDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001103168315 1365418569 /nfs/dbraw/zinc/41/85/69/1365418569.db2.gz DPTFQUVQOKDGPC-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001103168315 1365418572 /nfs/dbraw/zinc/41/85/72/1365418572.db2.gz DPTFQUVQOKDGPC-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001103168315 1365418575 /nfs/dbraw/zinc/41/85/75/1365418575.db2.gz DPTFQUVQOKDGPC-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001185546393 1387744199 /nfs/dbraw/zinc/74/41/99/1387744199.db2.gz BKYKWKNOHXPGIX-MOPGFXCFSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103434321 1365557674 /nfs/dbraw/zinc/55/76/74/1365557674.db2.gz YXDDVGKFVYCPCU-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103434321 1365557675 /nfs/dbraw/zinc/55/76/75/1365557675.db2.gz YXDDVGKFVYCPCU-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103434321 1365557679 /nfs/dbraw/zinc/55/76/79/1365557679.db2.gz YXDDVGKFVYCPCU-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001103753370 1365764835 /nfs/dbraw/zinc/76/48/35/1365764835.db2.gz FJNOTINMEAAFGW-QZTJIDSGSA-N 2 1 343.515 3.012 20 30 EGEDMP C=CCCCCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001185760486 1387791914 /nfs/dbraw/zinc/79/19/14/1387791914.db2.gz AHXKXLBUQLFREN-RTBURBONSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932949 1366229592 /nfs/dbraw/zinc/22/95/92/1366229592.db2.gz WZQKISZNYXPYHK-CEXWTWQISA-N 2 1 337.552 3.147 20 30 EGEDMP CCCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001104939368 1366232006 /nfs/dbraw/zinc/23/20/06/1366232006.db2.gz NHDCXBXEACMEQO-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=C(C)CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577113 1366541360 /nfs/dbraw/zinc/54/13/60/1366541360.db2.gz QQNDRMJMHRTJST-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442962 1366964986 /nfs/dbraw/zinc/96/49/86/1366964986.db2.gz UFWHDIZVGOFABS-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442962 1366964987 /nfs/dbraw/zinc/96/49/87/1366964987.db2.gz UFWHDIZVGOFABS-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442962 1366964990 /nfs/dbraw/zinc/96/49/90/1366964990.db2.gz UFWHDIZVGOFABS-QKNQBKEWSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567740 1367049228 /nfs/dbraw/zinc/04/92/28/1367049228.db2.gz HYOGULBEXHCCSA-TZIWHRDSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191542705 1367525028 /nfs/dbraw/zinc/52/50/28/1367525028.db2.gz HVJCBUVGOOPYKR-OALUTQOASA-N 2 1 349.563 3.386 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191560390 1367527432 /nfs/dbraw/zinc/52/74/32/1367527432.db2.gz FAOIYICQNCPSSP-ZWKOTPCHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158092 1367530908 /nfs/dbraw/zinc/53/09/08/1367530908.db2.gz HDNQPRHCUKYGGA-FYQPLNBISA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001108780458 1367592496 /nfs/dbraw/zinc/59/24/96/1367592496.db2.gz BPYSXTZRRRHECJ-OTWHNJEPSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108794043 1367600344 /nfs/dbraw/zinc/60/03/44/1367600344.db2.gz MKZXMHHTWISCCL-FHWLQOOXSA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CCC)C2 ZINC001108802569 1367604733 /nfs/dbraw/zinc/60/47/33/1367604733.db2.gz GBDBDRTYVZJGSE-OTWHNJEPSA-N 2 1 337.552 3.268 20 30 EGEDMP C=CCC[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001192905297 1367901166 /nfs/dbraw/zinc/90/11/66/1367901166.db2.gz DOFMUGXFPLCILA-MOPGFXCFSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905297 1367901169 /nfs/dbraw/zinc/90/11/69/1367901169.db2.gz DOFMUGXFPLCILA-MOPGFXCFSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCCCCC)C1 ZINC001192905297 1367901174 /nfs/dbraw/zinc/90/11/74/1367901174.db2.gz DOFMUGXFPLCILA-MOPGFXCFSA-N 2 1 337.552 3.386 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111164326 1368174331 /nfs/dbraw/zinc/17/43/31/1368174331.db2.gz UACZMJLGVVMJEH-YRXWBPOGSA-N 2 1 335.536 3.041 20 30 EGEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194246002 1368216712 /nfs/dbraw/zinc/21/67/12/1368216712.db2.gz IROFOXOYIHRRHN-HKUYNNGSSA-N 2 1 343.515 3.249 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111467362 1368311487 /nfs/dbraw/zinc/31/14/87/1368311487.db2.gz GULQVZGEMGJLHY-YSTOQKLRSA-N 2 1 347.547 3.185 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)n2ccnc2CC)CC1 ZINC001195900299 1368512574 /nfs/dbraw/zinc/51/25/74/1368512574.db2.gz KMNWPHBYFRWRIV-MSOLQXFVSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900299 1368512576 /nfs/dbraw/zinc/51/25/76/1368512576.db2.gz KMNWPHBYFRWRIV-MSOLQXFVSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001195900299 1368512580 /nfs/dbraw/zinc/51/25/80/1368512580.db2.gz KMNWPHBYFRWRIV-MSOLQXFVSA-N 2 1 346.519 3.286 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111910177 1368551393 /nfs/dbraw/zinc/55/13/93/1368551393.db2.gz ROJPOEAMGNGXRE-ICSRJNTNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285111 1368748615 /nfs/dbraw/zinc/74/86/15/1368748615.db2.gz MNXJBXWFJYUVSR-ZVDOUQERSA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879267 1368917983 /nfs/dbraw/zinc/91/79/83/1368917983.db2.gz HDYSVMLRAYIHPQ-UHFFFAOYSA-N 2 1 325.541 3.223 20 30 EGEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)C2 ZINC001112547502 1368922938 /nfs/dbraw/zinc/92/29/38/1368922938.db2.gz VWVXJAIBVQUSKX-FPOVZHCZSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259913 1368992068 /nfs/dbraw/zinc/99/20/68/1368992068.db2.gz UEZNXDLAKDHICH-ICSRJNTNSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001198259913 1368992072 /nfs/dbraw/zinc/99/20/72/1368992072.db2.gz UEZNXDLAKDHICH-ICSRJNTNSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001113156642 1369233023 /nfs/dbraw/zinc/23/30/23/1369233023.db2.gz PQPNGOGKEZEGFL-SFHVURJKSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577829 1369393021 /nfs/dbraw/zinc/39/30/21/1369393021.db2.gz IDPZHGMNGJOHGD-UYAOXDASSA-N 2 1 349.563 3.412 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200643196 1369404922 /nfs/dbraw/zinc/40/49/22/1369404922.db2.gz BASZNFBCTPDLTL-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201052476 1369472579 /nfs/dbraw/zinc/47/25/79/1369472579.db2.gz FXAUSNZVHFDTAO-GOSISDBHSA-N 2 1 344.503 3.088 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400769 1369537106 /nfs/dbraw/zinc/53/71/06/1369537106.db2.gz UMKXIISBVFBKHQ-IEBWSBKVSA-N 2 1 335.536 3.042 20 30 EGEDMP CCCCCCC[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001201776823 1369622518 /nfs/dbraw/zinc/62/25/18/1369622518.db2.gz MUSHDECAUIESBH-UHFFFAOYSA-N 2 1 348.535 3.261 20 30 EGEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203312611 1370077384 /nfs/dbraw/zinc/07/73/84/1370077384.db2.gz GXGSYPCPVBDSII-SFHVURJKSA-N 2 1 349.906 3.013 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001114920866 1370150480 /nfs/dbraw/zinc/15/04/80/1370150480.db2.gz BYCIDRVICCROTO-VNTMZGSJSA-N 2 1 349.563 3.268 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203732440 1370240247 /nfs/dbraw/zinc/24/02/47/1370240247.db2.gz YNVXIFGIYKYKPH-QZTJIDSGSA-N 2 1 346.519 3.179 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536914 1370533359 /nfs/dbraw/zinc/53/33/59/1370533359.db2.gz MZBPEBHBNWMOJY-RBUKOAKNSA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCOC(=O)N1CCC2(C[NH+](CCC[NH2+]C3CCCCC3)C2)CC1 ZINC001204896486 1370599249 /nfs/dbraw/zinc/59/92/49/1370599249.db2.gz KFUTZIAQSVKLEO-UHFFFAOYSA-N 2 1 349.519 3.019 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001205297188 1370710787 /nfs/dbraw/zinc/71/07/87/1370710787.db2.gz OKBZQXSWTXBTDJ-IBGZPJMESA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469427 1370764813 /nfs/dbraw/zinc/76/48/13/1370764813.db2.gz CZQPQUWZGUSYLU-UHFFFAOYSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483727 1370769127 /nfs/dbraw/zinc/76/91/27/1370769127.db2.gz OTHDZMRIRLZMAC-PKOBYXMFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205526143 1370781896 /nfs/dbraw/zinc/78/18/96/1370781896.db2.gz GPTJDMCOISGEET-LJQANCHMSA-N 2 1 335.536 3.045 20 30 EGEDMP C[C@H]1CC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC[C@H]1C[NH3+] ZINC001205639105 1370823705 /nfs/dbraw/zinc/82/37/05/1370823705.db2.gz VWFAPQNRDXUMMY-JSGCOSHPSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Br)c2)CCC[C@H]1C[NH3+] ZINC001206024879 1370942089 /nfs/dbraw/zinc/94/20/89/1370942089.db2.gz LOGDQSIILOYGQZ-OCCSQVGLSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001206327864 1371024888 /nfs/dbraw/zinc/02/48/88/1371024888.db2.gz ZGGLXDNPDZAOMF-INIZCTEOSA-N 2 1 336.277 3.272 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869202 1371197397 /nfs/dbraw/zinc/19/73/97/1371197397.db2.gz XMDQDQKNQBVNFZ-HXUWFJFHSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001206974709 1371254994 /nfs/dbraw/zinc/25/49/94/1371254994.db2.gz OEMQHXHHAULRGK-WSTZPKSXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001206974709 1371254999 /nfs/dbraw/zinc/25/49/99/1371254999.db2.gz OEMQHXHHAULRGK-WSTZPKSXSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001206974709 1371255002 /nfs/dbraw/zinc/25/50/02/1371255002.db2.gz OEMQHXHHAULRGK-WSTZPKSXSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207343424 1371365624 /nfs/dbraw/zinc/36/56/24/1371365624.db2.gz IQTGNJFWMJGWGY-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001207343424 1371365630 /nfs/dbraw/zinc/36/56/30/1371365630.db2.gz IQTGNJFWMJGWGY-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001207343424 1371365633 /nfs/dbraw/zinc/36/56/33/1371365633.db2.gz IQTGNJFWMJGWGY-GUDVDZBRSA-N 2 1 337.552 3.268 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC001120207735 1371504154 /nfs/dbraw/zinc/50/41/54/1371504154.db2.gz CORNYKWDRCCKAG-SFHVURJKSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCCC1 ZINC001120212878 1371506263 /nfs/dbraw/zinc/50/62/63/1371506263.db2.gz CURAWHLGBGKVIJ-IBGZPJMESA-N 2 1 343.515 3.274 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001208049663 1371580177 /nfs/dbraw/zinc/58/01/77/1371580177.db2.gz PNNXPLMEBLLYKD-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)CC1 ZINC001208109880 1371597631 /nfs/dbraw/zinc/59/76/31/1371597631.db2.gz UUHPPWAROQCZMW-GOSISDBHSA-N 2 1 327.472 3.133 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001208114611 1371599989 /nfs/dbraw/zinc/59/99/89/1371599989.db2.gz QJVIYMOYADDWLO-RLLQIKCJSA-N 2 1 349.563 3.268 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208279411 1371696695 /nfs/dbraw/zinc/69/66/95/1371696695.db2.gz PDPKMGTZHYHCDA-RBUKOAKNSA-N 2 1 335.536 3.188 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001208448339 1371769913 /nfs/dbraw/zinc/76/99/13/1371769913.db2.gz XXIXFRFNEJOZIL-QGZVFWFLSA-N 2 1 325.541 3.268 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121234294 1371902802 /nfs/dbraw/zinc/90/28/02/1371902802.db2.gz XAGMSIWWAYQERB-MBEFBZSESA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001121617205 1372027839 /nfs/dbraw/zinc/02/78/39/1372027839.db2.gz UFEUBCIJJUMFDG-GGQJKKPXSA-N 2 1 347.547 3.092 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628331 1372029915 /nfs/dbraw/zinc/02/99/15/1372029915.db2.gz LQKXLKVZFIEMBS-MEJGAGPLSA-N 2 1 347.547 3.088 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121778990 1372078813 /nfs/dbraw/zinc/07/88/13/1372078813.db2.gz HQPLRCWPVLKRLG-KZYAKZRFSA-N 2 1 347.547 3.090 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001121791084 1372081825 /nfs/dbraw/zinc/08/18/25/1372081825.db2.gz FBWGTEURMFVCOY-KZYAKZRFSA-N 2 1 349.563 3.336 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209424176 1372103090 /nfs/dbraw/zinc/10/30/90/1372103090.db2.gz NAQIJYLTBCRWPW-NHCUHLMSSA-N 2 1 343.515 3.351 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209424176 1372103093 /nfs/dbraw/zinc/10/30/93/1372103093.db2.gz NAQIJYLTBCRWPW-NHCUHLMSSA-N 2 1 343.515 3.351 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001209424176 1372103096 /nfs/dbraw/zinc/10/30/96/1372103096.db2.gz NAQIJYLTBCRWPW-NHCUHLMSSA-N 2 1 343.515 3.351 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC[NH+]1CCCCC1)[C@@H]2CC ZINC001209451693 1372109754 /nfs/dbraw/zinc/10/97/54/1372109754.db2.gz NZIQGMGKSGJNLR-CTNGQTDRSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209958026 1372241146 /nfs/dbraw/zinc/24/11/46/1372241146.db2.gz OSWUUEVPLPGDMB-UYAOXDASSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210133445 1372278328 /nfs/dbraw/zinc/27/83/28/1372278328.db2.gz QXXFMNILCUSBBK-IBGZPJMESA-N 2 1 346.519 3.299 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214611158 1373089337 /nfs/dbraw/zinc/08/93/37/1373089337.db2.gz RLIXBUPJSAJRSU-QRVBRYPASA-N 2 1 337.552 3.266 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224170203 1375059033 /nfs/dbraw/zinc/05/90/33/1375059033.db2.gz TVQVHZACYCGPKT-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206236 1375209377 /nfs/dbraw/zinc/20/93/77/1375209377.db2.gz GSMKUDFYVKLQHV-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206236 1375209379 /nfs/dbraw/zinc/20/93/79/1375209379.db2.gz GSMKUDFYVKLQHV-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[C@@H]1C ZINC001132206236 1375209384 /nfs/dbraw/zinc/20/93/84/1375209384.db2.gz GSMKUDFYVKLQHV-ROUUACIJSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227791318 1375475195 /nfs/dbraw/zinc/47/51/95/1375475195.db2.gz BOQALPQGBABJBX-PKOBYXMFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133141394 1375802426 /nfs/dbraw/zinc/80/24/26/1375802426.db2.gz CXMZCNGIQFSTPO-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334041 1375998855 /nfs/dbraw/zinc/99/88/55/1375998855.db2.gz DOXVEPBLJGLMED-HDICACEKSA-N 2 1 335.536 3.186 20 30 EGEDMP N#Cc1cc[nH]c1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001233046866 1376560398 /nfs/dbraw/zinc/56/03/98/1376560398.db2.gz KEIODARMFVYPIX-UHFFFAOYSA-N 2 1 334.467 3.374 20 30 EGEDMP N#Cc1cc[nH]c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001233046866 1376560401 /nfs/dbraw/zinc/56/04/01/1376560401.db2.gz KEIODARMFVYPIX-UHFFFAOYSA-N 2 1 334.467 3.374 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001134791100 1376724151 /nfs/dbraw/zinc/72/41/51/1376724151.db2.gz NUNRWFVJHKMBTH-IRXDYDNUSA-N 2 1 337.552 3.479 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076475 1376882011 /nfs/dbraw/zinc/88/20/11/1376882011.db2.gz BKOBMEVVTAJNFE-ZWKOTPCHSA-N 2 1 337.552 3.480 20 30 EGEDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC001140305215 1378042884 /nfs/dbraw/zinc/04/28/84/1378042884.db2.gz QNJXKXFBKQRKDI-UHFFFAOYSA-N 2 1 348.494 3.332 20 30 EGEDMP CC(C)[NH+]1CCC(C[N@@H+](C)Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141112025 1378242406 /nfs/dbraw/zinc/24/24/06/1378242406.db2.gz MNLCCYOZAFECDB-UHFFFAOYSA-N 2 1 340.924 3.408 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001148384528 1379160058 /nfs/dbraw/zinc/16/00/58/1379160058.db2.gz GWRWENGVNXLMOG-UHFFFAOYSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625820 1379229169 /nfs/dbraw/zinc/22/91/69/1379229169.db2.gz LDDNVDUQCOSFOK-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839507 1380497911 /nfs/dbraw/zinc/49/79/11/1380497911.db2.gz XPLXKXSLERZJMA-QGZVFWFLSA-N 2 1 331.504 3.155 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158473648 1381256778 /nfs/dbraw/zinc/25/67/78/1381256778.db2.gz OPKACGONRUOCAA-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473648 1381256779 /nfs/dbraw/zinc/25/67/79/1381256779.db2.gz OPKACGONRUOCAA-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473648 1381256786 /nfs/dbraw/zinc/25/67/86/1381256786.db2.gz OPKACGONRUOCAA-VQTJNVASSA-N 2 1 349.563 3.388 20 30 EGEDMP N#Cc1c(NC2=CC[C@@H]([NH+]3CCCC3)CC2)sc2c1CC[NH2+]C2 ZINC001159159307 1381680820 /nfs/dbraw/zinc/68/08/20/1381680820.db2.gz GEQCMYQXMALFRN-CQSZACIVSA-N 2 1 328.485 3.210 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159627931 1381852775 /nfs/dbraw/zinc/85/27/75/1381852775.db2.gz CNVDNVUPCAJVLN-LJQANCHMSA-N 2 1 335.536 3.189 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159627931 1381852778 /nfs/dbraw/zinc/85/27/78/1381852778.db2.gz CNVDNVUPCAJVLN-LJQANCHMSA-N 2 1 335.536 3.189 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159627931 1381852783 /nfs/dbraw/zinc/85/27/83/1381852783.db2.gz CNVDNVUPCAJVLN-LJQANCHMSA-N 2 1 335.536 3.189 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175580 1382024971 /nfs/dbraw/zinc/02/49/71/1382024971.db2.gz ZMSDMOCLFZGBCI-UYAOXDASSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175580 1382024977 /nfs/dbraw/zinc/02/49/77/1382024977.db2.gz ZMSDMOCLFZGBCI-UYAOXDASSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175580 1382024984 /nfs/dbraw/zinc/02/49/84/1382024984.db2.gz ZMSDMOCLFZGBCI-UYAOXDASSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161734158 1382492433 /nfs/dbraw/zinc/49/24/33/1382492433.db2.gz VJULFBLSNGFUQM-SFHVURJKSA-N 2 1 335.536 3.211 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)cc1 ZINC001163094990 1382963421 /nfs/dbraw/zinc/96/34/21/1382963421.db2.gz DDKWPTVXJFMPLS-ICSRJNTNSA-N 2 1 341.499 3.190 20 30 EGEDMP C[NH+](C)C1(CNc2ccc(-c3ccc(C#N)o3)cc2)CC[NH+](C)CC1 ZINC001164212767 1383166786 /nfs/dbraw/zinc/16/67/86/1383166786.db2.gz BTHYXQYQWKETGJ-UHFFFAOYSA-N 2 1 338.455 3.256 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167699313 1383715187 /nfs/dbraw/zinc/71/51/87/1383715187.db2.gz HUHCSGUUMOIENX-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001169142170 1384112665 /nfs/dbraw/zinc/11/26/65/1384112665.db2.gz AIUJHBDPSCPWSM-FCGDIQPGSA-N 2 1 325.456 3.027 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001169142170 1384112666 /nfs/dbraw/zinc/11/26/66/1384112666.db2.gz AIUJHBDPSCPWSM-FCGDIQPGSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001169142170 1384112668 /nfs/dbraw/zinc/11/26/68/1384112668.db2.gz AIUJHBDPSCPWSM-FCGDIQPGSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001169142170 1384112670 /nfs/dbraw/zinc/11/26/70/1384112670.db2.gz AIUJHBDPSCPWSM-FCGDIQPGSA-N 2 1 325.456 3.027 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(Oc3ccccc3C#N)CC1)C2 ZINC001169144121 1384113705 /nfs/dbraw/zinc/11/37/05/1384113705.db2.gz JAOAWWIOKHNGQN-PIIMJCKOSA-N 2 1 325.456 3.027 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171247971 1384478070 /nfs/dbraw/zinc/47/80/70/1384478070.db2.gz PJZIKZWMZHMHTF-RBUKOAKNSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171537457 1384555487 /nfs/dbraw/zinc/55/54/87/1384555487.db2.gz CUYCQTGFWKVXMK-MOPGFXCFSA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171585663 1384572605 /nfs/dbraw/zinc/57/26/05/1384572605.db2.gz ADFATMSXYDTUPD-SJORKVTESA-N 2 1 325.541 3.336 20 30 EGEDMP CC(C)(C)OC(=O)C1([NH2+]C2CCC(C)(C#N)CC2)CCC([NH3+])CC1 ZINC001173586585 1384982454 /nfs/dbraw/zinc/98/24/54/1384982454.db2.gz WDUYVERAHNZFHF-UHFFFAOYSA-N 2 1 335.492 3.030 20 30 EGEDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC(C)(C#N)CC1)C2 ZINC001173594536 1384983350 /nfs/dbraw/zinc/98/33/50/1384983350.db2.gz AEWIJMPOZOODKQ-GKYDQMIMSA-N 2 1 345.531 3.139 20 30 EGEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594536 1384983352 /nfs/dbraw/zinc/98/33/52/1384983352.db2.gz AEWIJMPOZOODKQ-GKYDQMIMSA-N 2 1 345.531 3.139 20 30 EGEDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594536 1384983353 /nfs/dbraw/zinc/98/33/53/1384983353.db2.gz AEWIJMPOZOODKQ-GKYDQMIMSA-N 2 1 345.531 3.139 20 30 EGEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174882642 1385164755 /nfs/dbraw/zinc/16/47/55/1385164755.db2.gz VERGLPLWOQYRAB-UYAOXDASSA-N 2 1 347.547 3.071 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175262174 1385232613 /nfs/dbraw/zinc/23/26/13/1385232613.db2.gz COZVZMLJNWFCLV-OALUTQOASA-N 2 1 337.552 3.339 20 30 EGEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001176120199 1385489274 /nfs/dbraw/zinc/48/92/74/1385489274.db2.gz KKIMGYASMNFDTO-HKUYNNGSSA-N 2 1 331.504 3.130 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001176759266 1385686079 /nfs/dbraw/zinc/68/60/79/1385686079.db2.gz HPKIKCBIRGLHRN-MJGOQNOKSA-N 2 1 331.504 3.130 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001178527445 1386241628 /nfs/dbraw/zinc/24/16/28/1386241628.db2.gz LTDFTCAKZYPGTC-KRWDZBQOSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178877440 1386336207 /nfs/dbraw/zinc/33/62/07/1386336207.db2.gz AOQXAYQGESSHMZ-ZCNNSNEGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001179776874 1386581546 /nfs/dbraw/zinc/58/15/46/1386581546.db2.gz LKKJHAPWIHXSBG-IAGOWNOFSA-N 2 1 334.508 3.209 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788258 1386586050 /nfs/dbraw/zinc/58/60/50/1386586050.db2.gz SMKLGHNHJLIXAH-IRXDYDNUSA-N 2 1 341.927 3.022 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904403 1387073273 /nfs/dbraw/zinc/07/32/73/1387073273.db2.gz RZLZGGQCYJGWGQ-SFHLNBCPSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001182917593 1387246218 /nfs/dbraw/zinc/24/62/18/1387246218.db2.gz RQUMTWGLRYPGOV-UYAOXDASSA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001752821103 1440220520 /nfs/dbraw/zinc/22/05/20/1440220520.db2.gz VZHVUCKRWGDTSL-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001752821103 1440220521 /nfs/dbraw/zinc/22/05/21/1440220521.db2.gz VZHVUCKRWGDTSL-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001752821103 1440220522 /nfs/dbraw/zinc/22/05/22/1440220522.db2.gz VZHVUCKRWGDTSL-OALUTQOASA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001752998178 1440263260 /nfs/dbraw/zinc/26/32/60/1440263260.db2.gz ADOPMJWMLVZUFV-FQEVSTJZSA-N 2 1 343.515 3.251 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753128821 1440315791 /nfs/dbraw/zinc/31/57/91/1440315791.db2.gz KMMAWXJFQVSWJF-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753128821 1440315792 /nfs/dbraw/zinc/31/57/92/1440315792.db2.gz KMMAWXJFQVSWJF-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753128821 1440315793 /nfs/dbraw/zinc/31/57/93/1440315793.db2.gz KMMAWXJFQVSWJF-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)c1ccc2ccccc2c1 ZINC001754644606 1440649791 /nfs/dbraw/zinc/64/97/91/1440649791.db2.gz VFGUUDZOKDFHER-HXUWFJFHSA-N 2 1 339.483 3.113 20 30 EGEDMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001754717820 1440671993 /nfs/dbraw/zinc/67/19/93/1440671993.db2.gz GEIRFBVWGHYNOW-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001754734472 1440681589 /nfs/dbraw/zinc/68/15/89/1440681589.db2.gz WEEVNRGWCDKZLW-FQEVSTJZSA-N 2 1 335.536 3.047 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001754843330 1440698313 /nfs/dbraw/zinc/69/83/13/1440698313.db2.gz ZUEGZMCTAFUFRJ-ZCNNSNEGSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001754843330 1440698314 /nfs/dbraw/zinc/69/83/14/1440698314.db2.gz ZUEGZMCTAFUFRJ-ZCNNSNEGSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@H]2C1 ZINC001754843330 1440698315 /nfs/dbraw/zinc/69/83/15/1440698315.db2.gz ZUEGZMCTAFUFRJ-ZCNNSNEGSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001754962987 1440717993 /nfs/dbraw/zinc/71/79/93/1440717993.db2.gz VOZSAZMNPUKTLG-UHFFFAOYSA-N 2 1 346.519 3.086 20 30 EGEDMP C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCC)CC1 ZINC001755048406 1440742819 /nfs/dbraw/zinc/74/28/19/1440742819.db2.gz XWNRFIVXHRMUAB-KDURUIRLSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCC)CC1 ZINC001755048406 1440742820 /nfs/dbraw/zinc/74/28/20/1440742820.db2.gz XWNRFIVXHRMUAB-KDURUIRLSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001755142632 1440761520 /nfs/dbraw/zinc/76/15/20/1440761520.db2.gz SVDWHEMIFFTATE-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001755205043 1440781895 /nfs/dbraw/zinc/78/18/95/1440781895.db2.gz PKBRYEPXYNGBHM-PMACEKPBSA-N 2 1 349.563 3.245 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001755701185 1440900295 /nfs/dbraw/zinc/90/02/95/1440900295.db2.gz NOQQXCYBQDFXRN-HBFSDRIKSA-N 2 1 335.536 3.164 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001755701185 1440900296 /nfs/dbraw/zinc/90/02/96/1440900296.db2.gz NOQQXCYBQDFXRN-HBFSDRIKSA-N 2 1 335.536 3.164 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CCC[N@H+]3C)CCC[C@H]12 ZINC001755701185 1440900297 /nfs/dbraw/zinc/90/02/97/1440900297.db2.gz NOQQXCYBQDFXRN-HBFSDRIKSA-N 2 1 335.536 3.164 20 30 EGEDMP CCCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001755701185 1440900294 /nfs/dbraw/zinc/90/02/94/1440900294.db2.gz NOQQXCYBQDFXRN-HBFSDRIKSA-N 2 1 335.536 3.164 20 30 EGEDMP C=C(C)CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC001755870216 1440938924 /nfs/dbraw/zinc/93/89/24/1440938924.db2.gz YUMDZGPNEBDALF-UHFFFAOYSA-N 2 1 349.563 3.291 20 30 EGEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000360838373 283192385 /nfs/dbraw/zinc/19/23/85/283192385.db2.gz CCZJYFPXPNMPJG-TZIWHRDSSA-N 2 1 341.499 3.152 20 30 EGEDMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000289931312 266027371 /nfs/dbraw/zinc/02/73/71/266027371.db2.gz VMOQXMNKHVLORA-GOSISDBHSA-N 2 1 342.531 3.233 20 30 EGEDMP N#Cc1cccc(OCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470993030 268284527 /nfs/dbraw/zinc/28/45/27/268284527.db2.gz JBZNNZILVOGWFT-OYRHEFFESA-N 2 1 347.462 3.001 20 30 EGEDMP N#Cc1cccc(OCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470993030 268284530 /nfs/dbraw/zinc/28/45/30/268284530.db2.gz JBZNNZILVOGWFT-OYRHEFFESA-N 2 1 347.462 3.001 20 30 EGEDMP N#Cc1cccc(OCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470993030 268284533 /nfs/dbraw/zinc/28/45/33/268284533.db2.gz JBZNNZILVOGWFT-OYRHEFFESA-N 2 1 347.462 3.001 20 30 EGEDMP N#Cc1cccc(OCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470993030 268284534 /nfs/dbraw/zinc/28/45/34/268284534.db2.gz JBZNNZILVOGWFT-OYRHEFFESA-N 2 1 347.462 3.001 20 30 EGEDMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000183103351 455229662 /nfs/dbraw/zinc/22/96/62/455229662.db2.gz RATKNHBGDYDZCV-DOTOQJQBSA-N 2 1 327.472 3.309 20 30 EGEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091412343 454433594 /nfs/dbraw/zinc/43/35/94/454433594.db2.gz NTEDCGOIWOGRTA-UHFFFAOYSA-N 2 1 349.478 3.426 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000048816755 454517888 /nfs/dbraw/zinc/51/78/88/454517888.db2.gz QSLBYWONKSGKLV-HDICACEKSA-N 2 1 349.478 3.457 20 30 EGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000134549844 454559680 /nfs/dbraw/zinc/55/96/80/454559680.db2.gz SULKEXALXYRLBB-IUODEOHRSA-N 2 1 340.874 3.175 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000177313939 454850256 /nfs/dbraw/zinc/85/02/56/454850256.db2.gz JBARYCXYDMPLKT-UHFFFAOYSA-N 2 1 337.508 3.016 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000125951116 454858489 /nfs/dbraw/zinc/85/84/89/454858489.db2.gz AOCMJICWUXDIAH-SFHVURJKSA-N 2 1 343.515 3.054 20 30 EGEDMP C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000114712432 454971389 /nfs/dbraw/zinc/97/13/89/454971389.db2.gz WLXBSOGXOOOCBJ-UHFFFAOYSA-N 2 1 347.528 3.072 20 30 EGEDMP C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000114712432 454971392 /nfs/dbraw/zinc/97/13/92/454971392.db2.gz WLXBSOGXOOOCBJ-UHFFFAOYSA-N 2 1 347.528 3.072 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000170911264 454998762 /nfs/dbraw/zinc/99/87/62/454998762.db2.gz SVZWXKCJIREASJ-MRXNPFEDSA-N 2 1 337.471 3.383 20 30 EGEDMP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000264094884 455190349 /nfs/dbraw/zinc/19/03/49/455190349.db2.gz MELBYRZRSCFFHQ-MRXNPFEDSA-N 2 1 334.533 3.007 20 30 EGEDMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1C#N ZINC000281579926 456269536 /nfs/dbraw/zinc/26/95/36/456269536.db2.gz DFIDUKSSTFMEQT-HXUWFJFHSA-N 2 1 349.478 3.221 20 30 EGEDMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000290629035 456389412 /nfs/dbraw/zinc/38/94/12/456389412.db2.gz XWAFHJQZVZJUNW-UHFFFAOYSA-N 2 1 339.487 3.122 20 30 EGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000290629035 456389418 /nfs/dbraw/zinc/38/94/18/456389418.db2.gz XWAFHJQZVZJUNW-UHFFFAOYSA-N 2 1 339.487 3.122 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C2 ZINC000329510298 456902648 /nfs/dbraw/zinc/90/26/48/456902648.db2.gz JZLGMXZBZIXXLH-ALKREAHSSA-N 2 1 332.492 3.221 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000373870844 457377149 /nfs/dbraw/zinc/37/71/49/457377149.db2.gz XXOULUIKSVAHFU-NQIIRXRSSA-N 2 1 346.490 3.403 20 30 EGEDMP COCC1(C#N)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000342834433 457548148 /nfs/dbraw/zinc/54/81/48/457548148.db2.gz CEAIKNOHEDNFCA-UHFFFAOYSA-N 2 1 343.515 3.397 20 30 EGEDMP COCC1(C#N)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000342834433 457548156 /nfs/dbraw/zinc/54/81/56/457548156.db2.gz CEAIKNOHEDNFCA-UHFFFAOYSA-N 2 1 343.515 3.397 20 30 EGEDMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C#N ZINC000364591735 457649917 /nfs/dbraw/zinc/64/99/17/457649917.db2.gz SIGQHJUQYIBCIJ-UHFFFAOYSA-N 2 1 348.494 3.385 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc(OC)c1O ZINC000368948747 458066770 /nfs/dbraw/zinc/06/67/70/458066770.db2.gz DMPBSVCFZCRFEL-UHFFFAOYSA-N 2 1 330.472 3.190 20 30 EGEDMP C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512612489 458785999 /nfs/dbraw/zinc/78/59/99/458785999.db2.gz OSPUQCRPLYJHJD-QHAWAJNXSA-N 2 1 328.500 3.469 20 30 EGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000481173805 459237497 /nfs/dbraw/zinc/23/74/97/459237497.db2.gz GXUSOWIUPQJHLX-AVRDEDQJSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc(C#N)c1 ZINC000481173805 459237504 /nfs/dbraw/zinc/23/75/04/459237504.db2.gz GXUSOWIUPQJHLX-AVRDEDQJSA-N 2 1 349.478 3.437 20 30 EGEDMP C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560546045 459371224 /nfs/dbraw/zinc/37/12/24/459371224.db2.gz SKBUTMHPGMPCKV-LNRXMEIDSA-N 2 1 342.527 3.451 20 30 EGEDMP COc1ccc([C@H]([NH2+]CC2CCC(C#N)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000574391354 459812329 /nfs/dbraw/zinc/81/23/29/459812329.db2.gz XXHGBQUCNMUJOO-MPIRFRCKSA-N 2 1 327.472 3.408 20 30 EGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612859 459963039 /nfs/dbraw/zinc/96/30/39/459963039.db2.gz CFYMXXOGVXPGTP-IRXDYDNUSA-N 2 1 349.544 3.111 20 30 EGEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612859 459963048 /nfs/dbraw/zinc/96/30/48/459963048.db2.gz CFYMXXOGVXPGTP-IRXDYDNUSA-N 2 1 349.544 3.111 20 30 EGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612859 459963059 /nfs/dbraw/zinc/96/30/59/459963059.db2.gz CFYMXXOGVXPGTP-IRXDYDNUSA-N 2 1 349.544 3.111 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598701402 459999305 /nfs/dbraw/zinc/99/93/05/459999305.db2.gz USVYKEDLDYQLJJ-YLJYHZDGSA-N 2 1 343.515 3.451 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594440433 460221306 /nfs/dbraw/zinc/22/13/06/460221306.db2.gz CGFBJJYGCQCCAV-VQIMIIECSA-N 2 1 342.487 3.411 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000623430373 460545528 /nfs/dbraw/zinc/54/55/28/460545528.db2.gz MQOJARRUTFDAHZ-ZFWWWQNUSA-N 2 1 338.879 3.486 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000623430373 460545537 /nfs/dbraw/zinc/54/55/37/460545537.db2.gz MQOJARRUTFDAHZ-ZFWWWQNUSA-N 2 1 338.879 3.486 20 30 EGEDMP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000104180787 1293020058 /nfs/dbraw/zinc/02/00/58/1293020058.db2.gz DAAHHDWFCOTLNC-CVEARBPZSA-N 2 1 334.533 3.007 20 30 EGEDMP C#CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000183099963 1295098134 /nfs/dbraw/zinc/09/81/34/1295098134.db2.gz UBMGXVIJOWRHIC-IEBWSBKVSA-N 2 1 326.484 3.441 20 30 EGEDMP C[N@@H+](CCCC[NH2+]Cc1cc(C#N)ccc1Br)C1CC1 ZINC000922172917 1322471806 /nfs/dbraw/zinc/47/18/06/1322471806.db2.gz YXLFHSNFGXBRRI-UHFFFAOYSA-N 2 1 336.277 3.285 20 30 EGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)NC1CCCC1 ZINC000262410610 1296631528 /nfs/dbraw/zinc/63/15/28/1296631528.db2.gz PFFKSWZVMPPSGL-YOEHRIQHSA-N 2 1 334.533 3.239 20 30 EGEDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303873920 1296863982 /nfs/dbraw/zinc/86/39/82/1296863982.db2.gz GZKFYXGKUCHIJK-OAHLLOKOSA-N 2 1 348.491 3.085 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000303891286 1296870338 /nfs/dbraw/zinc/87/03/38/1296870338.db2.gz MYXKNDBMFQXSLS-CVEARBPZSA-N 2 1 332.492 3.463 20 30 EGEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304760064 1296940935 /nfs/dbraw/zinc/94/09/35/1296940935.db2.gz RWAFRBIJLULJEX-CYBMUJFWSA-N 2 1 344.381 3.186 20 30 EGEDMP C=CCc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1OC ZINC000774239046 1303789390 /nfs/dbraw/zinc/78/93/90/1303789390.db2.gz HOSSMGMSAQLFGO-AYHJJNSGSA-N 2 1 330.472 3.147 20 30 EGEDMP C=CCc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1OC ZINC000774239046 1303789400 /nfs/dbraw/zinc/78/94/00/1303789400.db2.gz HOSSMGMSAQLFGO-AYHJJNSGSA-N 2 1 330.472 3.147 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC000957545806 1317441118 /nfs/dbraw/zinc/44/11/18/1317441118.db2.gz UQOKIGSPDJLIEV-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819025129 1319618517 /nfs/dbraw/zinc/61/85/17/1319618517.db2.gz YWNUKSKIZZZBDU-KRWDZBQOSA-N 2 1 342.405 3.369 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552293 1319663683 /nfs/dbraw/zinc/66/36/83/1319663683.db2.gz CQMWANNKNXRJSU-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552293 1319663690 /nfs/dbraw/zinc/66/36/90/1319663690.db2.gz CQMWANNKNXRJSU-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552293 1319663695 /nfs/dbraw/zinc/66/36/95/1319663695.db2.gz CQMWANNKNXRJSU-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024814191 1323718505 /nfs/dbraw/zinc/71/85/05/1323718505.db2.gz PEYMYXALRTUPCD-IBGZPJMESA-N 2 1 343.515 3.299 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025246359 1324045465 /nfs/dbraw/zinc/04/54/65/1324045465.db2.gz CXDXMHJAMXEPSE-RBUKOAKNSA-N 2 1 345.531 3.036 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025265017 1324077237 /nfs/dbraw/zinc/07/72/37/1324077237.db2.gz CWINQWIESSXECQ-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C[Si](C)(CC[NH+]1CCC[C@H](C#N)C1)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932150333 1329789244 /nfs/dbraw/zinc/78/92/44/1329789244.db2.gz BNGLUHCYPOWKCD-QZTJIDSGSA-N 2 1 332.568 3.166 20 30 EGEDMP C[Si](C)(CC[NH+]1CCC[C@H](C#N)C1)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000932150333 1329789246 /nfs/dbraw/zinc/78/92/46/1329789246.db2.gz BNGLUHCYPOWKCD-QZTJIDSGSA-N 2 1 332.568 3.166 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948440031 1333526406 /nfs/dbraw/zinc/52/64/06/1333526406.db2.gz ZUTSZBXHDXBKNT-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440031 1333526408 /nfs/dbraw/zinc/52/64/08/1333526408.db2.gz ZUTSZBXHDXBKNT-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948440031 1333526409 /nfs/dbraw/zinc/52/64/09/1333526409.db2.gz ZUTSZBXHDXBKNT-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000968888267 1336080256 /nfs/dbraw/zinc/08/02/56/1336080256.db2.gz RYQXUXCVUHFZHA-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000968888267 1336080259 /nfs/dbraw/zinc/08/02/59/1336080259.db2.gz RYQXUXCVUHFZHA-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000968888267 1336080261 /nfs/dbraw/zinc/08/02/61/1336080261.db2.gz RYQXUXCVUHFZHA-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000969153704 1336164659 /nfs/dbraw/zinc/16/46/59/1336164659.db2.gz NJQMDVTUXAEKPC-FQEVSTJZSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001005874629 1336414259 /nfs/dbraw/zinc/41/42/59/1336414259.db2.gz YQPKBDXSPLZYHN-HXUWFJFHSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001018166580 1339520107 /nfs/dbraw/zinc/52/01/07/1339520107.db2.gz VVOLQOLSJIXOLZ-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018166580 1339520109 /nfs/dbraw/zinc/52/01/09/1339520109.db2.gz VVOLQOLSJIXOLZ-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001018166580 1339520111 /nfs/dbraw/zinc/52/01/11/1339520111.db2.gz VVOLQOLSJIXOLZ-HSALFYBXSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035184972 1342999289 /nfs/dbraw/zinc/99/92/89/1342999289.db2.gz IXLAFZMPLQIZQX-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184972 1342999293 /nfs/dbraw/zinc/99/92/93/1342999293.db2.gz IXLAFZMPLQIZQX-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035184972 1342999296 /nfs/dbraw/zinc/99/92/96/1342999296.db2.gz IXLAFZMPLQIZQX-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837016 1343220497 /nfs/dbraw/zinc/22/04/97/1343220497.db2.gz FBZAKGXGGAQPIE-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153961 1344837982 /nfs/dbraw/zinc/83/79/82/1344837982.db2.gz LWNFVZMZZHEMPW-VQTJNVASSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001039242077 1344967621 /nfs/dbraw/zinc/96/76/21/1344967621.db2.gz NIDSAAMYNBKNAK-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001039300068 1345002902 /nfs/dbraw/zinc/00/29/02/1345002902.db2.gz VEULBKJYMQDUPV-AYHJJNSGSA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040199636 1345372773 /nfs/dbraw/zinc/37/27/73/1345372773.db2.gz AUCSMGRUWKWBMW-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199636 1345372775 /nfs/dbraw/zinc/37/27/75/1345372775.db2.gz AUCSMGRUWKWBMW-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040199636 1345372776 /nfs/dbraw/zinc/37/27/76/1345372776.db2.gz AUCSMGRUWKWBMW-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001045941017 1346777410 /nfs/dbraw/zinc/77/74/10/1346777410.db2.gz HHXANNNVIUNGHO-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045941017 1346777412 /nfs/dbraw/zinc/77/74/12/1346777412.db2.gz HHXANNNVIUNGHO-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001045941017 1346777414 /nfs/dbraw/zinc/77/74/14/1346777414.db2.gz HHXANNNVIUNGHO-PZJWPPBQSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786066 1348021386 /nfs/dbraw/zinc/02/13/86/1348021386.db2.gz ACDKEONXXJMBFQ-VQTJNVASSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381179 1348536648 /nfs/dbraw/zinc/53/66/48/1348536648.db2.gz LVJGBTJUKQFATB-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381179 1348536649 /nfs/dbraw/zinc/53/66/49/1348536649.db2.gz LVJGBTJUKQFATB-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381179 1348536650 /nfs/dbraw/zinc/53/66/50/1348536650.db2.gz LVJGBTJUKQFATB-RTBURBONSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650969 1348613574 /nfs/dbraw/zinc/61/35/74/1348613574.db2.gz BWAOHEJYRRZFOG-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052650969 1348613576 /nfs/dbraw/zinc/61/35/76/1348613576.db2.gz BWAOHEJYRRZFOG-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650969 1348613578 /nfs/dbraw/zinc/61/35/78/1348613578.db2.gz BWAOHEJYRRZFOG-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052989773 1348789695 /nfs/dbraw/zinc/78/96/95/1348789695.db2.gz WNPUXYGVFFJYPR-KDURUIRLSA-N 2 1 347.547 3.137 20 30 EGEDMP C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C(C)C)CC1 ZINC001052989773 1348789701 /nfs/dbraw/zinc/78/97/01/1348789701.db2.gz WNPUXYGVFFJYPR-KDURUIRLSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001053088654 1348914446 /nfs/dbraw/zinc/91/44/46/1348914446.db2.gz YTPKRGGCTZWFSJ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088654 1348914452 /nfs/dbraw/zinc/91/44/52/1348914452.db2.gz YTPKRGGCTZWFSJ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001053088654 1348914460 /nfs/dbraw/zinc/91/44/60/1348914460.db2.gz YTPKRGGCTZWFSJ-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001085994307 1358948954 /nfs/dbraw/zinc/94/89/54/1358948954.db2.gz INXOAIVZJDOJCU-QGZVFWFLSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749324 1359626379 /nfs/dbraw/zinc/62/63/79/1359626379.db2.gz GAIMLIYSMNNSQR-GBESFXJTSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839650 1359673879 /nfs/dbraw/zinc/67/38/79/1359673879.db2.gz MYKATXZQIPEBFE-VQTJNVASSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089406150 1360404609 /nfs/dbraw/zinc/40/46/09/1360404609.db2.gz HUFZIRBBPHRSKM-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406150 1360404610 /nfs/dbraw/zinc/40/46/10/1360404610.db2.gz HUFZIRBBPHRSKM-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089406150 1360404611 /nfs/dbraw/zinc/40/46/11/1360404611.db2.gz HUFZIRBBPHRSKM-MSOLQXFVSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC(C)(C)C1 ZINC001089509550 1360480670 /nfs/dbraw/zinc/48/06/70/1360480670.db2.gz JEFWDHYGRHIXRS-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089509321 1360480702 /nfs/dbraw/zinc/48/07/02/1360480702.db2.gz ASOKMGRPTCFCHD-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509321 1360480704 /nfs/dbraw/zinc/48/07/04/1360480704.db2.gz ASOKMGRPTCFCHD-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509321 1360480706 /nfs/dbraw/zinc/48/07/06/1360480706.db2.gz ASOKMGRPTCFCHD-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511282 1360483005 /nfs/dbraw/zinc/48/30/05/1360483005.db2.gz PNFDMMRDLIQGGI-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089511282 1360483007 /nfs/dbraw/zinc/48/30/07/1360483007.db2.gz PNFDMMRDLIQGGI-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001089639540 1360553149 /nfs/dbraw/zinc/55/31/49/1360553149.db2.gz XGHZUIZSVSUUMA-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639540 1360553151 /nfs/dbraw/zinc/55/31/51/1360553151.db2.gz XGHZUIZSVSUUMA-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001089639540 1360553154 /nfs/dbraw/zinc/55/31/54/1360553154.db2.gz XGHZUIZSVSUUMA-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089706355 1360609051 /nfs/dbraw/zinc/60/90/51/1360609051.db2.gz RIJPQESOEZYPEU-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089706355 1360609054 /nfs/dbraw/zinc/60/90/54/1360609054.db2.gz RIJPQESOEZYPEU-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089706355 1360609056 /nfs/dbraw/zinc/60/90/56/1360609056.db2.gz RIJPQESOEZYPEU-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001089707073 1360609695 /nfs/dbraw/zinc/60/96/95/1360609695.db2.gz YZTIFMHHAVVVAF-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089707073 1360609697 /nfs/dbraw/zinc/60/96/97/1360609697.db2.gz YZTIFMHHAVVVAF-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001089707073 1360609698 /nfs/dbraw/zinc/60/96/98/1360609698.db2.gz YZTIFMHHAVVVAF-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184808954 1387543653 /nfs/dbraw/zinc/54/36/53/1387543653.db2.gz CASBLVMOLMSAFD-HKUYNNGSSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CC[NH2+][C@H](C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)C1CCCC1 ZINC001098827354 1363484338 /nfs/dbraw/zinc/48/43/38/1363484338.db2.gz UYHOAFGSMGCCDS-AZUAARDMSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101278 1363622571 /nfs/dbraw/zinc/62/25/71/1363622571.db2.gz QSLFWOVTJXHPEB-FPOVZHCZSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110360 1363628093 /nfs/dbraw/zinc/62/80/93/1363628093.db2.gz CIHVYKFECYJXKI-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104288042 1365976830 /nfs/dbraw/zinc/97/68/30/1365976830.db2.gz RLLHYVKVOQWFLS-VAMGGRTRSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422317 1366018262 /nfs/dbraw/zinc/01/82/62/1366018262.db2.gz LPRBMZJQNRITTM-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573256 1366082704 /nfs/dbraw/zinc/08/27/04/1366082704.db2.gz NXPJCRDKZLBBQG-AQNXPRMDSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001185731065 1387785823 /nfs/dbraw/zinc/78/58/23/1387785823.db2.gz LJEFRIDYDUKPLS-QGZVFWFLSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185750682 1387789572 /nfs/dbraw/zinc/78/95/72/1387789572.db2.gz LUGZHUZMYOITKZ-OALUTQOASA-N 2 1 339.568 3.371 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107035832 1366862084 /nfs/dbraw/zinc/86/20/84/1366862084.db2.gz AHIABYVMWMLPRU-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646548 1367091840 /nfs/dbraw/zinc/09/18/40/1367091840.db2.gz JYTXYIINWMDOOC-TZIWHRDSSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646548 1367091849 /nfs/dbraw/zinc/09/18/49/1367091849.db2.gz JYTXYIINWMDOOC-TZIWHRDSSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646548 1367091854 /nfs/dbraw/zinc/09/18/54/1367091854.db2.gz JYTXYIINWMDOOC-TZIWHRDSSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646809 1367092170 /nfs/dbraw/zinc/09/21/70/1367092170.db2.gz XFJOIHPSPUCNPN-SFHLNBCPSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190657088 1367319739 /nfs/dbraw/zinc/31/97/39/1367319739.db2.gz ZACXSBPRPNKXOG-UXHICEINSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190657088 1367319744 /nfs/dbraw/zinc/31/97/44/1367319744.db2.gz ZACXSBPRPNKXOG-UXHICEINSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190657088 1367319750 /nfs/dbraw/zinc/31/97/50/1367319750.db2.gz ZACXSBPRPNKXOG-UXHICEINSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001109858132 1367363255 /nfs/dbraw/zinc/36/32/55/1367363255.db2.gz VZCXZOFNHIQVTR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109858132 1367363259 /nfs/dbraw/zinc/36/32/59/1367363259.db2.gz VZCXZOFNHIQVTR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109858132 1367363263 /nfs/dbraw/zinc/36/32/63/1367363263.db2.gz VZCXZOFNHIQVTR-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994117 1368137508 /nfs/dbraw/zinc/13/75/08/1368137508.db2.gz OYDWEZFFMZAJLS-AKHDSKFASA-N 2 1 335.536 3.041 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020450 1368144414 /nfs/dbraw/zinc/14/44/14/1368144414.db2.gz CATONVMJEVVYNW-MKXGPGLRSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111020450 1368144417 /nfs/dbraw/zinc/14/44/17/1368144417.db2.gz CATONVMJEVVYNW-MKXGPGLRSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001111020450 1368144419 /nfs/dbraw/zinc/14/44/19/1368144419.db2.gz CATONVMJEVVYNW-MKXGPGLRSA-N 2 1 335.536 3.020 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111217067 1368196032 /nfs/dbraw/zinc/19/60/32/1368196032.db2.gz DUZMLLCGPRMPEY-AFYVEPGGSA-N 2 1 347.547 3.183 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266241 1368219636 /nfs/dbraw/zinc/21/96/36/1368219636.db2.gz MULWSJOLNNPMHY-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194266241 1368219638 /nfs/dbraw/zinc/21/96/38/1368219638.db2.gz MULWSJOLNNPMHY-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001194266241 1368219643 /nfs/dbraw/zinc/21/96/43/1368219643.db2.gz MULWSJOLNNPMHY-MOPGFXCFSA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111775928 1368456042 /nfs/dbraw/zinc/45/60/42/1368456042.db2.gz HDIAPFSHZFAUPJ-ZVDOUQERSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111775928 1368456045 /nfs/dbraw/zinc/45/60/45/1368456045.db2.gz HDIAPFSHZFAUPJ-ZVDOUQERSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111775928 1368456047 /nfs/dbraw/zinc/45/60/47/1368456047.db2.gz HDIAPFSHZFAUPJ-ZVDOUQERSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001111817072 1368479417 /nfs/dbraw/zinc/47/94/17/1368479417.db2.gz MGZPJZLQBCAPJV-RXVVDRJESA-N 2 1 347.547 3.045 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984778 1368591005 /nfs/dbraw/zinc/59/10/05/1368591005.db2.gz OHRRIMWJVWPMRV-ICSRJNTNSA-N 2 1 335.536 3.023 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984778 1368591007 /nfs/dbraw/zinc/59/10/07/1368591007.db2.gz OHRRIMWJVWPMRV-ICSRJNTNSA-N 2 1 335.536 3.023 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221440 1368983771 /nfs/dbraw/zinc/98/37/71/1368983771.db2.gz JPXXJHNULAIOPY-KDURUIRLSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221440 1368983773 /nfs/dbraw/zinc/98/37/73/1368983773.db2.gz JPXXJHNULAIOPY-KDURUIRLSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221440 1368983775 /nfs/dbraw/zinc/98/37/75/1368983775.db2.gz JPXXJHNULAIOPY-KDURUIRLSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112963902 1369111522 /nfs/dbraw/zinc/11/15/22/1369111522.db2.gz DMTQVGQAPHVPHH-LJQANCHMSA-N 2 1 337.552 3.079 20 30 EGEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001200577859 1369393074 /nfs/dbraw/zinc/39/30/74/1369393074.db2.gz INAYPHFGZAMZQY-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201231148 1369500860 /nfs/dbraw/zinc/50/08/60/1369500860.db2.gz ZGFJDQKAFPKQTN-UXHICEINSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115343651 1370397744 /nfs/dbraw/zinc/39/77/44/1370397744.db2.gz NBNIKOBAYQCYLL-KXTWHKPSSA-N 2 1 349.563 3.269 20 30 EGEDMP C[NH+](C)CCCOc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001204263027 1370425188 /nfs/dbraw/zinc/42/51/88/1370425188.db2.gz DYGRGGUWKIUJEZ-UHFFFAOYSA-N 2 1 349.478 3.447 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206302423 1371015685 /nfs/dbraw/zinc/01/56/85/1371015685.db2.gz YNRZJLDGGHKNTL-KRWDZBQOSA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001207795943 1371505958 /nfs/dbraw/zinc/50/59/58/1371505958.db2.gz PHRZINNFOLNKPT-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207795943 1371505964 /nfs/dbraw/zinc/50/59/64/1371505964.db2.gz PHRZINNFOLNKPT-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001207795943 1371505967 /nfs/dbraw/zinc/50/59/67/1371505967.db2.gz PHRZINNFOLNKPT-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001120393923 1371561479 /nfs/dbraw/zinc/56/14/79/1371561479.db2.gz YYBXRUBWNAKUPZ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120393923 1371561482 /nfs/dbraw/zinc/56/14/82/1371561482.db2.gz YYBXRUBWNAKUPZ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001120393923 1371561486 /nfs/dbraw/zinc/56/14/86/1371561486.db2.gz YYBXRUBWNAKUPZ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014402 1371568602 /nfs/dbraw/zinc/56/86/02/1371568602.db2.gz QBYXTBXTSMXDEJ-OALUTQOASA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334340 1371722523 /nfs/dbraw/zinc/72/25/23/1371722523.db2.gz IJQPPMQVIJMOPX-ROUUACIJSA-N 2 1 344.503 3.088 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001209222527 1372042071 /nfs/dbraw/zinc/04/20/71/1372042071.db2.gz JQDGGCJUFHHKMW-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP N#Cc1ccc(O[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC001209452973 1372109985 /nfs/dbraw/zinc/10/99/85/1372109985.db2.gz AXBWCHGCPOEKNP-HXUWFJFHSA-N 2 1 327.472 3.277 20 30 EGEDMP N#Cc1ccc(O[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC001209452973 1372109991 /nfs/dbraw/zinc/10/99/91/1372109991.db2.gz AXBWCHGCPOEKNP-HXUWFJFHSA-N 2 1 327.472 3.277 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209566127 1372138015 /nfs/dbraw/zinc/13/80/15/1372138015.db2.gz PKNBDVYINWZKPX-GUDVDZBRSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209566127 1372138016 /nfs/dbraw/zinc/13/80/16/1372138016.db2.gz PKNBDVYINWZKPX-GUDVDZBRSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209566127 1372138021 /nfs/dbraw/zinc/13/80/21/1372138021.db2.gz PKNBDVYINWZKPX-GUDVDZBRSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892111 1372224615 /nfs/dbraw/zinc/22/46/15/1372224615.db2.gz LVBZGSPEVSWTNU-GOSISDBHSA-N 2 1 346.519 3.334 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094792 1372484560 /nfs/dbraw/zinc/48/45/60/1372484560.db2.gz RHQGDCTUXYJWQA-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127344995 1373117317 /nfs/dbraw/zinc/11/73/17/1373117317.db2.gz VUDOYHURRBUXDA-SFHVURJKSA-N 2 1 337.552 3.317 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132340209 1375320149 /nfs/dbraw/zinc/32/01/49/1375320149.db2.gz OPSQZZRMKZROQG-ICSRJNTNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001132380134 1375340393 /nfs/dbraw/zinc/34/03/93/1375340393.db2.gz FPJAZNCENKACIF-PMACEKPBSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001132523884 1375439229 /nfs/dbraw/zinc/43/92/29/1375439229.db2.gz BLDKOYGCIGALHI-PXNSSMCTSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001227729259 1375467245 /nfs/dbraw/zinc/46/72/45/1375467245.db2.gz XIVYUFFHMXZGRH-RTBURBONSA-N 2 1 335.536 3.234 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132977204 1375691127 /nfs/dbraw/zinc/69/11/27/1375691127.db2.gz KNLDXRKYYGIZTH-MJGOQNOKSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[C@H]1C ZINC001133011134 1375710139 /nfs/dbraw/zinc/71/01/39/1375710139.db2.gz GDDBCMVKYKQNLO-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001229616669 1375865669 /nfs/dbraw/zinc/86/56/69/1375865669.db2.gz OTJRGJHKMZBZAW-UHFFFAOYSA-N 2 1 346.519 3.299 20 30 EGEDMP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233044762 1376560410 /nfs/dbraw/zinc/56/04/10/1376560410.db2.gz OOZPIOVAVNJSTK-UHFFFAOYSA-N 2 1 349.482 3.158 20 30 EGEDMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001233044762 1376560413 /nfs/dbraw/zinc/56/04/13/1376560413.db2.gz OOZPIOVAVNJSTK-UHFFFAOYSA-N 2 1 349.482 3.158 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234265650 1376795179 /nfs/dbraw/zinc/79/51/79/1376795179.db2.gz KFTGESBTMROMIP-RTBURBONSA-N 2 1 337.552 3.362 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234265650 1376795182 /nfs/dbraw/zinc/79/51/82/1376795182.db2.gz KFTGESBTMROMIP-RTBURBONSA-N 2 1 337.552 3.362 20 30 EGEDMP C[N@@H+]1CCC[C@H]2CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405848 1377880290 /nfs/dbraw/zinc/88/02/90/1377880290.db2.gz CYBSINFVTMQJQQ-FPOVZHCZSA-N 2 1 332.451 3.146 20 30 EGEDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(-c4cc(C#N)ccn4)cc3)C[C@@H]21 ZINC001139405848 1377880291 /nfs/dbraw/zinc/88/02/91/1377880291.db2.gz CYBSINFVTMQJQQ-FPOVZHCZSA-N 2 1 332.451 3.146 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148476910 1379181110 /nfs/dbraw/zinc/18/11/10/1379181110.db2.gz AAWPSSXBQQLDKC-RBUKOAKNSA-N 2 1 349.563 3.242 20 30 EGEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001154844355 1380362760 /nfs/dbraw/zinc/36/27/60/1380362760.db2.gz CRHDIZYBHXTLCM-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001154844355 1380362761 /nfs/dbraw/zinc/36/27/61/1380362761.db2.gz CRHDIZYBHXTLCM-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001154844355 1380362763 /nfs/dbraw/zinc/36/27/63/1380362763.db2.gz CRHDIZYBHXTLCM-IEBWSBKVSA-N 2 1 335.536 3.186 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155085147 1380405170 /nfs/dbraw/zinc/40/51/70/1380405170.db2.gz JDNHTMWQWMSSBD-QZTJIDSGSA-N 2 1 327.557 3.370 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157109953 1380778241 /nfs/dbraw/zinc/77/82/41/1380778241.db2.gz WKIMZJPSWSOUHB-IAGOWNOFSA-N 2 1 343.943 3.076 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157109953 1380778243 /nfs/dbraw/zinc/77/82/43/1380778243.db2.gz WKIMZJPSWSOUHB-IAGOWNOFSA-N 2 1 343.943 3.076 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158764057 1381388270 /nfs/dbraw/zinc/38/82/70/1381388270.db2.gz NKHCECZACWNZIE-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161220202 1382347102 /nfs/dbraw/zinc/34/71/02/1382347102.db2.gz YQJRYIJFLHWGHO-LJQANCHMSA-N 2 1 347.547 3.213 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001161679239 1382478499 /nfs/dbraw/zinc/47/84/99/1382478499.db2.gz UPXQODVSUOIAJR-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679239 1382478500 /nfs/dbraw/zinc/47/85/00/1382478500.db2.gz UPXQODVSUOIAJR-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CCCC)CC1 ZINC001161679239 1382478501 /nfs/dbraw/zinc/47/85/01/1382478501.db2.gz UPXQODVSUOIAJR-HXUWFJFHSA-N 2 1 347.547 3.356 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161705308 1382485598 /nfs/dbraw/zinc/48/55/98/1382485598.db2.gz QTFQYSGLYJAMSS-HXUWFJFHSA-N 2 1 349.563 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161705308 1382485599 /nfs/dbraw/zinc/48/55/99/1382485599.db2.gz QTFQYSGLYJAMSS-HXUWFJFHSA-N 2 1 349.563 3.437 20 30 EGEDMP CCCCCCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161705308 1382485601 /nfs/dbraw/zinc/48/56/01/1382485601.db2.gz QTFQYSGLYJAMSS-HXUWFJFHSA-N 2 1 349.563 3.437 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578879 1383201538 /nfs/dbraw/zinc/20/15/38/1383201538.db2.gz XASOZYJRGZQZGG-QGZVFWFLSA-N 2 1 346.519 3.239 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165334208 1383276265 /nfs/dbraw/zinc/27/62/65/1383276265.db2.gz XADXIIJFFFANPY-QZTJIDSGSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165485059 1383301116 /nfs/dbraw/zinc/30/11/16/1383301116.db2.gz KRMOZHIPBIMFHG-IBGZPJMESA-N 2 1 347.547 3.236 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165927233 1383366316 /nfs/dbraw/zinc/36/63/16/1383366316.db2.gz WNUVPXUVQWABHZ-RTBURBONSA-N 2 1 349.563 3.338 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167236246 1383571714 /nfs/dbraw/zinc/57/17/14/1383571714.db2.gz IQOSYNZPEIXETO-QZTJIDSGSA-N 2 1 337.552 3.031 20 30 EGEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385793 1383618876 /nfs/dbraw/zinc/61/88/76/1383618876.db2.gz UBDAJYAOXMSVQQ-SFHVURJKSA-N 2 1 335.536 3.092 20 30 EGEDMP CC1(Nc2[nH+]cc3c(c2C#N)N(Cc2ccccc2)CC3)CC[NH2+]CC1 ZINC001168184069 1383837370 /nfs/dbraw/zinc/83/73/70/1383837370.db2.gz QONQYFKPERWSKQ-UHFFFAOYSA-N 2 1 347.466 3.070 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153892 1384116352 /nfs/dbraw/zinc/11/63/52/1384116352.db2.gz LVBCHAUDZBEYOE-XFKSJGNHSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153892 1384116354 /nfs/dbraw/zinc/11/63/54/1384116354.db2.gz LVBCHAUDZBEYOE-XFKSJGNHSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001169153892 1384116356 /nfs/dbraw/zinc/11/63/56/1384116356.db2.gz LVBCHAUDZBEYOE-XFKSJGNHSA-N 2 1 325.456 3.027 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-n2nnc3ccc(C[NH3+])cc32)cc1 ZINC001170025808 1384220432 /nfs/dbraw/zinc/22/04/32/1384220432.db2.gz FRRTZKPGPHOZFK-LJQANCHMSA-N 2 1 333.439 3.202 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170784365 1384384418 /nfs/dbraw/zinc/38/44/18/1384384418.db2.gz IXLAHZAZUJWCCG-RBUKOAKNSA-N 2 1 349.563 3.482 20 30 EGEDMP N#Cc1cccc(C[N@H+]([C@H]2CC[C@H]([NH3+])CC2)[C@@H]2CCCOCC2)c1 ZINC001170800541 1384387867 /nfs/dbraw/zinc/38/78/67/1384387867.db2.gz DTPCJRVKGFMNSJ-VAMGGRTRSA-N 2 1 327.472 3.199 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C/CCC ZINC001171307418 1384490907 /nfs/dbraw/zinc/49/09/07/1384490907.db2.gz IQTAZIZUXGLXIA-CLJKYYQGSA-N 2 1 347.547 3.095 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC/C=C/CCC ZINC001171307418 1384490910 /nfs/dbraw/zinc/49/09/10/1384490910.db2.gz IQTAZIZUXGLXIA-CLJKYYQGSA-N 2 1 347.547 3.095 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171537459 1384555524 /nfs/dbraw/zinc/55/55/24/1384555524.db2.gz CUYCQTGFWKVXMK-RBUKOAKNSA-N 2 1 337.552 3.482 20 30 EGEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133543 1384738764 /nfs/dbraw/zinc/73/87/64/1384738764.db2.gz SWVVURAIXCHRDX-JTJHWIPRSA-N 2 1 339.483 3.417 20 30 EGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133543 1384738768 /nfs/dbraw/zinc/73/87/68/1384738768.db2.gz SWVVURAIXCHRDX-JTJHWIPRSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133543 1384738769 /nfs/dbraw/zinc/73/87/69/1384738769.db2.gz SWVVURAIXCHRDX-JTJHWIPRSA-N 2 1 339.483 3.417 20 30 EGEDMP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCC[C@H](Oc3ccc(C#N)cc3)C1)C2 ZINC001172133543 1384738774 /nfs/dbraw/zinc/73/87/74/1384738774.db2.gz SWVVURAIXCHRDX-JTJHWIPRSA-N 2 1 339.483 3.417 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001175271398 1385236111 /nfs/dbraw/zinc/23/61/11/1385236111.db2.gz BBENBLFOUOSBAW-MSOLQXFVSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001178490430 1386233969 /nfs/dbraw/zinc/23/39/69/1386233969.db2.gz NPFIPUFNMGIKFT-LJQANCHMSA-N 2 1 349.563 3.483 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001178693337 1386279947 /nfs/dbraw/zinc/27/99/47/1386279947.db2.gz NLXGEPPFZCZCJO-KRWDZBQOSA-N 2 1 343.943 3.268 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178698358 1386281636 /nfs/dbraw/zinc/28/16/36/1386281636.db2.gz DZJZWBLXPIKKJN-ROUUACIJSA-N 2 1 346.519 3.381 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C/CCC ZINC001178722955 1386290520 /nfs/dbraw/zinc/29/05/20/1386290520.db2.gz XTRDXYYGZZAEDQ-YJJPMGAVSA-N 2 1 347.547 3.097 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC/C=C/CCC ZINC001178722955 1386290521 /nfs/dbraw/zinc/29/05/21/1386290521.db2.gz XTRDXYYGZZAEDQ-YJJPMGAVSA-N 2 1 347.547 3.097 20 30 EGEDMP C=CCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001178903024 1386344279 /nfs/dbraw/zinc/34/42/79/1386344279.db2.gz SBWDJRBWIHGCSY-UHFFFAOYSA-N 2 1 337.552 3.482 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178915480 1386347800 /nfs/dbraw/zinc/34/78/00/1386347800.db2.gz MPCQMIPSSXFZRQ-KRWDZBQOSA-N 2 1 343.943 3.126 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001178920992 1386349646 /nfs/dbraw/zinc/34/96/46/1386349646.db2.gz QEVKNQRNQDTERL-IBGZPJMESA-N 2 1 337.552 3.339 20 30 EGEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001179361539 1386463100 /nfs/dbraw/zinc/46/31/00/1386463100.db2.gz JDQGTMCUOSHJSD-LJQANCHMSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001179746489 1386570703 /nfs/dbraw/zinc/57/07/03/1386570703.db2.gz VNWZBVIMCGKDQP-QGZVFWFLSA-N 2 1 343.943 3.268 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904405 1387073670 /nfs/dbraw/zinc/07/36/70/1387073670.db2.gz RZLZGGQCYJGWGQ-SVFBPWRDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001181959497 1387082881 /nfs/dbraw/zinc/08/28/81/1387082881.db2.gz XSUGYZXYYRSEQA-DYESRHJHSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001752536490 1440194312 /nfs/dbraw/zinc/19/43/12/1440194312.db2.gz XGAZWXJGVFVRDN-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001752536490 1440194313 /nfs/dbraw/zinc/19/43/13/1440194313.db2.gz XGAZWXJGVFVRDN-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001752536490 1440194314 /nfs/dbraw/zinc/19/43/14/1440194314.db2.gz XGAZWXJGVFVRDN-AQNXPRMDSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001752543915 1440194874 /nfs/dbraw/zinc/19/48/74/1440194874.db2.gz WSRLUKRQGZWVEI-YTQUADARSA-N 2 1 344.503 3.002 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1C ZINC001752543915 1440194875 /nfs/dbraw/zinc/19/48/75/1440194875.db2.gz WSRLUKRQGZWVEI-YTQUADARSA-N 2 1 344.503 3.002 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001753128822 1440315862 /nfs/dbraw/zinc/31/58/62/1440315862.db2.gz KMMAWXJFQVSWJF-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753128822 1440315863 /nfs/dbraw/zinc/31/58/63/1440315863.db2.gz KMMAWXJFQVSWJF-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753128822 1440315864 /nfs/dbraw/zinc/31/58/64/1440315864.db2.gz KMMAWXJFQVSWJF-RBUKOAKNSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001753282097 1440347751 /nfs/dbraw/zinc/34/77/51/1440347751.db2.gz ACFLBDZAQXIAOI-PKOBYXMFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001753293629 1440351233 /nfs/dbraw/zinc/35/12/33/1440351233.db2.gz OIHMPUAFCXUHJC-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001753293629 1440351234 /nfs/dbraw/zinc/35/12/34/1440351234.db2.gz OIHMPUAFCXUHJC-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001753293629 1440351235 /nfs/dbraw/zinc/35/12/35/1440351235.db2.gz OIHMPUAFCXUHJC-MOPGFXCFSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001753821487 1440496393 /nfs/dbraw/zinc/49/63/93/1440496393.db2.gz GAWWSLGQWSPZLM-UHFFFAOYSA-N 2 1 346.519 3.143 20 30 EGEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001753821487 1440496394 /nfs/dbraw/zinc/49/63/94/1440496394.db2.gz GAWWSLGQWSPZLM-UHFFFAOYSA-N 2 1 346.519 3.143 20 30 EGEDMP C=C(C)C[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001754548534 1440629043 /nfs/dbraw/zinc/62/90/43/1440629043.db2.gz VBOGRXYMAACIFW-HXUWFJFHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001754548534 1440629044 /nfs/dbraw/zinc/62/90/44/1440629044.db2.gz VBOGRXYMAACIFW-HXUWFJFHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001754548534 1440629045 /nfs/dbraw/zinc/62/90/45/1440629045.db2.gz VBOGRXYMAACIFW-HXUWFJFHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001754953144 1440715440 /nfs/dbraw/zinc/71/54/40/1440715440.db2.gz UHMDUBKYBIYZMU-KZNAEPCWSA-N 2 1 346.519 3.237 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCC1 ZINC001754989795 1440723969 /nfs/dbraw/zinc/72/39/69/1440723969.db2.gz VDUTWVVEAFJQPK-UHFFFAOYSA-N 2 1 341.927 3.022 20 30 EGEDMP C=CCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001755378748 1440838842 /nfs/dbraw/zinc/83/88/42/1440838842.db2.gz PGKQVFCMMUFRNO-INIZCTEOSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001755411321 1440846496 /nfs/dbraw/zinc/84/64/96/1440846496.db2.gz BTSIFKYAVPJJOY-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001755867761 1440937990 /nfs/dbraw/zinc/93/79/90/1440937990.db2.gz DTYRGMQKQNIASU-IBGZPJMESA-N 2 1 349.563 3.412 20 30 EGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000118396841 287130917 /nfs/dbraw/zinc/13/09/17/287130917.db2.gz OTRVKWYMIJPGOA-KSZLIROESA-N 2 1 341.499 3.440 20 30 EGEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(C#N)c(C)c3)CC2)nc(C)[nH+]1 ZINC000332506022 267335191 /nfs/dbraw/zinc/33/51/91/267335191.db2.gz IEWRNHJLBYQRPM-UHFFFAOYSA-N 2 1 335.455 3.032 20 30 EGEDMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1C#N ZINC000183103374 455229788 /nfs/dbraw/zinc/22/97/88/455229788.db2.gz RATKNHBGDYDZCV-NVXWUHKLSA-N 2 1 327.472 3.309 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000189993909 455268369 /nfs/dbraw/zinc/26/83/69/455268369.db2.gz BNXPTCQAMLBEGO-BEFAXECRSA-N 2 1 349.906 3.438 20 30 EGEDMP CN(c1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1)C1CC[NH+](C)CC1 ZINC000612406469 460622328 /nfs/dbraw/zinc/62/23/28/460622328.db2.gz MUVWQMBEUUADRO-NRFANRHFSA-N 2 1 340.515 3.343 20 30 EGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000052209492 454661162 /nfs/dbraw/zinc/66/11/62/454661162.db2.gz NFADGWFTCNQYEM-UHFFFAOYSA-N 2 1 329.488 3.381 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)C[C@H](C)O1 ZINC000192754298 455686196 /nfs/dbraw/zinc/68/61/96/455686196.db2.gz MOQMQPGIXYAQMU-TWFHAPMSSA-N 2 1 341.499 3.468 20 30 EGEDMP Cc1[nH+]ccn1CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000262026915 455987846 /nfs/dbraw/zinc/98/78/46/455987846.db2.gz ZUZKYLCCXNHRME-JTQLQIEISA-N 2 1 340.258 3.164 20 30 EGEDMP C=CCCC[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341139117 456819407 /nfs/dbraw/zinc/81/94/07/456819407.db2.gz RNSUJESBUUKIOT-GBESFXJTSA-N 2 1 338.536 3.321 20 30 EGEDMP C=CCCC[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341139117 456819411 /nfs/dbraw/zinc/81/94/11/456819411.db2.gz RNSUJESBUUKIOT-GBESFXJTSA-N 2 1 338.536 3.321 20 30 EGEDMP CCCN(Cc1ncc(C[NH+](C)C)s1)Cc1ccc(C#N)cc1 ZINC000347578999 457522836 /nfs/dbraw/zinc/52/28/36/457522836.db2.gz DTCDRBJOJRILJD-UHFFFAOYSA-N 2 1 328.485 3.489 20 30 EGEDMP N#Cc1ccccc1OC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000358141406 457811043 /nfs/dbraw/zinc/81/10/43/457811043.db2.gz OWRJGFPPNABCMO-NUVZVAJJSA-N 2 1 339.483 3.465 20 30 EGEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(C)(C#N)CC3)c2)CCO1 ZINC000449100367 458420406 /nfs/dbraw/zinc/42/04/06/458420406.db2.gz WJNNYJCCKOCRBV-RPCJCACASA-N 2 1 341.499 3.469 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(C)(C#N)CC3)c2)CCO1 ZINC000449100367 458420410 /nfs/dbraw/zinc/42/04/10/458420410.db2.gz WJNNYJCCKOCRBV-RPCJCACASA-N 2 1 341.499 3.469 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000491071337 459595823 /nfs/dbraw/zinc/59/58/23/459595823.db2.gz JWMLCCQNZOTODA-KRWDZBQOSA-N 2 1 344.503 3.166 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000491071337 459595829 /nfs/dbraw/zinc/59/58/29/459595829.db2.gz JWMLCCQNZOTODA-KRWDZBQOSA-N 2 1 344.503 3.166 20 30 EGEDMP N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612051954 460520764 /nfs/dbraw/zinc/52/07/64/460520764.db2.gz ZANARWGLHUUYQR-IVAOSVALSA-N 2 1 336.483 3.320 20 30 EGEDMP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000612051954 460520768 /nfs/dbraw/zinc/52/07/68/460520768.db2.gz ZANARWGLHUUYQR-IVAOSVALSA-N 2 1 336.483 3.320 20 30 EGEDMP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000612051954 460520774 /nfs/dbraw/zinc/52/07/74/460520774.db2.gz ZANARWGLHUUYQR-IVAOSVALSA-N 2 1 336.483 3.320 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000623387142 460522178 /nfs/dbraw/zinc/52/21/78/460522178.db2.gz LWPXWPBAGDMINE-UHFFFAOYSA-N 2 1 335.835 3.208 20 30 EGEDMP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000152962067 526605696 /nfs/dbraw/zinc/60/56/96/526605696.db2.gz YMLBPANGWINJKR-NQIIRXRSSA-N 2 1 327.516 3.280 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1CC[NH+](C3CCCC3)CC1)C2 ZINC000329528249 547500485 /nfs/dbraw/zinc/50/04/85/547500485.db2.gz SMUBOFLFBKTWGG-OAHLLOKOSA-N 2 1 330.476 3.117 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000042227969 1291435935 /nfs/dbraw/zinc/43/59/35/1291435935.db2.gz ZZVMCEKFAZYQIJ-QFIPXVFZSA-N 2 1 348.494 3.027 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000089631852 1292773020 /nfs/dbraw/zinc/77/30/20/1292773020.db2.gz LQHFFWHNCDQZST-KZNAEPCWSA-N 2 1 343.471 3.093 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000089631852 1292773033 /nfs/dbraw/zinc/77/30/33/1292773033.db2.gz LQHFFWHNCDQZST-KZNAEPCWSA-N 2 1 343.471 3.093 20 30 EGEDMP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000192724905 1295793553 /nfs/dbraw/zinc/79/35/53/1295793553.db2.gz WSEKQSFAISZZNI-QFIPXVFZSA-N 2 1 339.527 3.025 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=[NH2+])N1CCCCC1 ZINC000303771542 1296849788 /nfs/dbraw/zinc/84/97/88/1296849788.db2.gz CRGOHOIMLFYFGQ-KRWDZBQOSA-N 2 1 328.504 3.362 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000392908292 1297662772 /nfs/dbraw/zinc/66/27/72/1297662772.db2.gz WSAZBQYUNPPMHJ-UHFFFAOYSA-N 2 1 335.289 3.240 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000392908292 1297662780 /nfs/dbraw/zinc/66/27/80/1297662780.db2.gz WSAZBQYUNPPMHJ-UHFFFAOYSA-N 2 1 335.289 3.240 20 30 EGEDMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000763231617 1301852616 /nfs/dbraw/zinc/85/26/16/1301852616.db2.gz OLYUQQCOEMEADF-QFIPXVFZSA-N 2 1 349.478 3.154 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000957445042 1317368323 /nfs/dbraw/zinc/36/83/23/1317368323.db2.gz FXQUPFSTSPXISW-UHFFFAOYSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000957647981 1317520293 /nfs/dbraw/zinc/52/02/93/1317520293.db2.gz ZDQWXBDUKZEOST-KDURUIRLSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021740154 1318651109 /nfs/dbraw/zinc/65/11/09/1318651109.db2.gz QSCOYAJYHHLZJF-UXHICEINSA-N 2 1 347.547 3.142 20 30 EGEDMP CCC[N@H+]1CC[C@H](C[NH+]=C(NCc2cccs2)NC(C)(C)C)C1 ZINC000912505668 1318895052 /nfs/dbraw/zinc/89/50/52/1318895052.db2.gz CNCYACJDZAVTSJ-OAHLLOKOSA-N 2 1 336.549 3.314 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520228 1323468748 /nfs/dbraw/zinc/46/87/48/1323468748.db2.gz GLRLZTKJHNETBH-QGZVFWFLSA-N 2 1 340.471 3.193 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811302 1323713631 /nfs/dbraw/zinc/71/36/31/1323713631.db2.gz PJCGHLQFMPAERD-FQEVSTJZSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001025247778 1324046853 /nfs/dbraw/zinc/04/68/53/1324046853.db2.gz QBMQWRVVEGLYEP-RTBURBONSA-N 2 1 345.531 3.036 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001025461068 1324305516 /nfs/dbraw/zinc/30/55/16/1324305516.db2.gz ORBCHHBXBLGITI-RDJZCZTQSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@@H]12 ZINC001026299568 1324711591 /nfs/dbraw/zinc/71/15/91/1324711591.db2.gz WREWUNBWPFFRIN-BHIYHBOVSA-N 2 1 347.547 3.042 20 30 EGEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000926126524 1325439015 /nfs/dbraw/zinc/43/90/15/1325439015.db2.gz QOOXOPNSWHDAFQ-APWZRJJASA-N 2 1 329.488 3.061 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108260 1328187445 /nfs/dbraw/zinc/18/74/45/1328187445.db2.gz WWNLQQHIXHLMOM-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865454193 1329699361 /nfs/dbraw/zinc/69/93/61/1329699361.db2.gz SWDNELDBEAFAAD-UHFFFAOYSA-N 2 1 341.499 3.053 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@@H](C)C1 ZINC000945338308 1332561083 /nfs/dbraw/zinc/56/10/83/1332561083.db2.gz ZSZRSNHTSNPTBZ-WMZOPIPTSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC000948079011 1333368085 /nfs/dbraw/zinc/36/80/85/1333368085.db2.gz RNZMGHQTRULKMT-IRXDYDNUSA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621959 1333600729 /nfs/dbraw/zinc/60/07/29/1333600729.db2.gz YUEOHYXTKJACHR-MRXNPFEDSA-N 2 1 346.862 3.013 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888434 1336080548 /nfs/dbraw/zinc/08/05/48/1336080548.db2.gz VCNBUXQJTWOTNU-MSOLQXFVSA-N 2 1 344.503 3.088 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968888434 1336080551 /nfs/dbraw/zinc/08/05/51/1336080551.db2.gz VCNBUXQJTWOTNU-MSOLQXFVSA-N 2 1 344.503 3.088 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928451 1336093009 /nfs/dbraw/zinc/09/30/09/1336093009.db2.gz LFBBNKSZLULRRH-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928451 1336093010 /nfs/dbraw/zinc/09/30/10/1336093010.db2.gz LFBBNKSZLULRRH-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928451 1336093012 /nfs/dbraw/zinc/09/30/12/1336093012.db2.gz LFBBNKSZLULRRH-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000968928450 1336093381 /nfs/dbraw/zinc/09/33/81/1336093381.db2.gz LFBBNKSZLULRRH-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928450 1336093384 /nfs/dbraw/zinc/09/33/84/1336093384.db2.gz LFBBNKSZLULRRH-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000968928450 1336093387 /nfs/dbraw/zinc/09/33/87/1336093387.db2.gz LFBBNKSZLULRRH-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000968990353 1336111553 /nfs/dbraw/zinc/11/15/53/1336111553.db2.gz BQDKTPLXTMUIMT-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990353 1336111556 /nfs/dbraw/zinc/11/15/56/1336111556.db2.gz BQDKTPLXTMUIMT-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000968990353 1336111559 /nfs/dbraw/zinc/11/15/59/1336111559.db2.gz BQDKTPLXTMUIMT-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001115731125 1370713616 /nfs/dbraw/zinc/71/36/16/1370713616.db2.gz YPUFRFGQWSOZPM-UHFFFAOYSA-N 2 1 343.943 3.126 20 30 EGEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001006083667 1336449181 /nfs/dbraw/zinc/44/91/81/1336449181.db2.gz LPHXPFQVSRHDPL-LJQANCHMSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001009684848 1337059368 /nfs/dbraw/zinc/05/93/68/1337059368.db2.gz SKOSEFFSWICSFY-KRWDZBQOSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702941 1338696019 /nfs/dbraw/zinc/69/60/19/1338696019.db2.gz SXKSBERLFRUJMQ-RTBURBONSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034537656 1342594772 /nfs/dbraw/zinc/59/47/72/1342594772.db2.gz NASNUIPROMORLM-HXUWFJFHSA-N 2 1 343.515 3.299 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040431416 1345494871 /nfs/dbraw/zinc/49/48/71/1345494871.db2.gz IBBSFSJCDVEOLY-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431416 1345494872 /nfs/dbraw/zinc/49/48/72/1345494872.db2.gz IBBSFSJCDVEOLY-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040431416 1345494874 /nfs/dbraw/zinc/49/48/74/1345494874.db2.gz IBBSFSJCDVEOLY-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433591 1345496592 /nfs/dbraw/zinc/49/65/92/1345496592.db2.gz XVRWWODEIDTVFW-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433591 1345496593 /nfs/dbraw/zinc/49/65/93/1345496593.db2.gz XVRWWODEIDTVFW-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433591 1345496594 /nfs/dbraw/zinc/49/65/94/1345496594.db2.gz XVRWWODEIDTVFW-PZJWPPBQSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040725753 1345571569 /nfs/dbraw/zinc/57/15/69/1345571569.db2.gz GEJLFJBCFYAOHZ-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001045974118 1346810340 /nfs/dbraw/zinc/81/03/40/1346810340.db2.gz YOYQCBCXQMLHMP-CTNGQTDRSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001048530732 1347580182 /nfs/dbraw/zinc/58/01/82/1347580182.db2.gz AATRVKXCAYBTHQ-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048530732 1347580185 /nfs/dbraw/zinc/58/01/85/1347580185.db2.gz AATRVKXCAYBTHQ-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048530732 1347580187 /nfs/dbraw/zinc/58/01/87/1347580187.db2.gz AATRVKXCAYBTHQ-IYWMVGAKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050727367 1348339833 /nfs/dbraw/zinc/33/98/33/1348339833.db2.gz HRPJWXPANJIKOH-LJQANCHMSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052513743 1348563942 /nfs/dbraw/zinc/56/39/42/1348563942.db2.gz IZURPNLPFNAQIW-QGZVFWFLSA-N 2 1 340.471 3.193 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052762741 1348668426 /nfs/dbraw/zinc/66/84/26/1348668426.db2.gz BKRJKCPDEVSZAE-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762741 1348668429 /nfs/dbraw/zinc/66/84/29/1348668429.db2.gz BKRJKCPDEVSZAE-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052762741 1348668430 /nfs/dbraw/zinc/66/84/30/1348668430.db2.gz BKRJKCPDEVSZAE-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071897348 1355012622 /nfs/dbraw/zinc/01/26/22/1355012622.db2.gz MXERGUOJOOBXKX-PXNSSMCTSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183869550 1387363887 /nfs/dbraw/zinc/36/38/87/1387363887.db2.gz WBLNZTNFNTUDTL-MOPGFXCFSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001086921628 1359248259 /nfs/dbraw/zinc/24/82/59/1359248259.db2.gz VJNPHGUMACUBFZ-RBUKOAKNSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001088431028 1359899118 /nfs/dbraw/zinc/89/91/18/1359899118.db2.gz FRKVWWGQTOPTMQ-WOJBJXKFSA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001089386285 1360387107 /nfs/dbraw/zinc/38/71/07/1360387107.db2.gz OBBOAXHFWZDSGT-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC(C)(C)C1 ZINC001089398947 1360398773 /nfs/dbraw/zinc/39/87/73/1360398773.db2.gz QCENEFJZWJFABM-INIZCTEOSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479056 1360461602 /nfs/dbraw/zinc/46/16/02/1360461602.db2.gz XESHDNCURMMULS-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479056 1360461604 /nfs/dbraw/zinc/46/16/04/1360461604.db2.gz XESHDNCURMMULS-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089479056 1360461606 /nfs/dbraw/zinc/46/16/06/1360461606.db2.gz XESHDNCURMMULS-FHWLQOOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC(C)(C)C1 ZINC001089565445 1360512120 /nfs/dbraw/zinc/51/21/20/1360512120.db2.gz SDXONRSMJDLABR-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565445 1360512123 /nfs/dbraw/zinc/51/21/23/1360512123.db2.gz SDXONRSMJDLABR-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC(C)(C)C1 ZINC001089565445 1360512125 /nfs/dbraw/zinc/51/21/25/1360512125.db2.gz SDXONRSMJDLABR-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001089734056 1360638583 /nfs/dbraw/zinc/63/85/83/1360638583.db2.gz GKOSJPXFKOYZAD-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734056 1360638584 /nfs/dbraw/zinc/63/85/84/1360638584.db2.gz GKOSJPXFKOYZAD-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001089734056 1360638586 /nfs/dbraw/zinc/63/85/86/1360638586.db2.gz GKOSJPXFKOYZAD-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001184683332 1387508210 /nfs/dbraw/zinc/50/82/10/1387508210.db2.gz HTNQADDYJDFYHL-ZWKOTPCHSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH2+][C@H](C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1)C1CCCC1 ZINC001098821602 1363482080 /nfs/dbraw/zinc/48/20/80/1363482080.db2.gz PVCKYXIELKRVIK-UYAOXDASSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)C1CCCC1 ZINC001098827360 1363484290 /nfs/dbraw/zinc/48/42/90/1363484290.db2.gz UYHOAFGSMGCCDS-UYAOXDASSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001099084917 1363614117 /nfs/dbraw/zinc/61/41/17/1363614117.db2.gz HSMWREULMREBHF-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001099084917 1363614113 /nfs/dbraw/zinc/61/41/13/1363614113.db2.gz HSMWREULMREBHF-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001099084917 1363614121 /nfs/dbraw/zinc/61/41/21/1363614121.db2.gz HSMWREULMREBHF-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001099106278 1363625550 /nfs/dbraw/zinc/62/55/50/1363625550.db2.gz CPFANEPYGQXDDF-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106278 1363625554 /nfs/dbraw/zinc/62/55/54/1363625554.db2.gz CPFANEPYGQXDDF-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001099106278 1363625558 /nfs/dbraw/zinc/62/55/58/1363625558.db2.gz CPFANEPYGQXDDF-QZTJIDSGSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001099116651 1363633231 /nfs/dbraw/zinc/63/32/31/1363633231.db2.gz UNKVXMYUUSUKHC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116651 1363633233 /nfs/dbraw/zinc/63/32/33/1363633233.db2.gz UNKVXMYUUSUKHC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001099116651 1363633237 /nfs/dbraw/zinc/63/32/37/1363633237.db2.gz UNKVXMYUUSUKHC-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353508 1363768512 /nfs/dbraw/zinc/76/85/12/1363768512.db2.gz BSUIQRUSUISZHA-GOSISDBHSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](CCC)CCC)C[C@]2(C)C1 ZINC001101428267 1364559254 /nfs/dbraw/zinc/55/92/54/1364559254.db2.gz CAWOMYPCPDFGLM-CTNGQTDRSA-N 2 1 349.563 3.245 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001101575076 1364628913 /nfs/dbraw/zinc/62/89/13/1364628913.db2.gz RUZILZQHKGHJLV-GOSISDBHSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001101574834 1364628939 /nfs/dbraw/zinc/62/89/39/1364628939.db2.gz GELLHHVGIQTIJA-UHFFFAOYSA-N 2 1 337.552 3.005 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103004942 1365334528 /nfs/dbraw/zinc/33/45/28/1365334528.db2.gz GWNDWWUFUCKBLH-UAFMIMERSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103004942 1365334531 /nfs/dbraw/zinc/33/45/31/1365334531.db2.gz GWNDWWUFUCKBLH-UAFMIMERSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103004942 1365334534 /nfs/dbraw/zinc/33/45/34/1365334534.db2.gz GWNDWWUFUCKBLH-UAFMIMERSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103082142 1365370183 /nfs/dbraw/zinc/37/01/83/1365370183.db2.gz FGIODESUYGANSQ-AQNXPRMDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082142 1365370186 /nfs/dbraw/zinc/37/01/86/1365370186.db2.gz FGIODESUYGANSQ-AQNXPRMDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103082142 1365370189 /nfs/dbraw/zinc/37/01/89/1365370189.db2.gz FGIODESUYGANSQ-AQNXPRMDSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103084128 1365371857 /nfs/dbraw/zinc/37/18/57/1365371857.db2.gz ZWHIRFHTOJMRDY-VAMGGRTRSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103084128 1365371861 /nfs/dbraw/zinc/37/18/61/1365371861.db2.gz ZWHIRFHTOJMRDY-VAMGGRTRSA-N 2 1 349.563 3.005 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103084128 1365371863 /nfs/dbraw/zinc/37/18/63/1365371863.db2.gz ZWHIRFHTOJMRDY-VAMGGRTRSA-N 2 1 349.563 3.005 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662545 1365711158 /nfs/dbraw/zinc/71/11/58/1365711158.db2.gz AMMZYTOBNJSZAV-CEXWTWQISA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662545 1365711160 /nfs/dbraw/zinc/71/11/60/1365711160.db2.gz AMMZYTOBNJSZAV-CEXWTWQISA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662545 1365711163 /nfs/dbraw/zinc/71/11/63/1365711163.db2.gz AMMZYTOBNJSZAV-CEXWTWQISA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC1([C@@H]2CCCCN2C(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105575228 1366540638 /nfs/dbraw/zinc/54/06/38/1366540638.db2.gz VVPSTHINBPKPBN-OALUTQOASA-N 2 1 347.547 3.045 20 30 EGEDMP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(C#N)cc1 ZINC001324924226 1387826071 /nfs/dbraw/zinc/82/60/71/1387826071.db2.gz MQTKCIQGUTYBQR-GOSISDBHSA-N 2 1 348.494 3.156 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001190174238 1367190314 /nfs/dbraw/zinc/19/03/14/1367190314.db2.gz DOBIIUNOZUTJDT-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001190174238 1367190316 /nfs/dbraw/zinc/19/03/16/1367190316.db2.gz DOBIIUNOZUTJDT-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001190174238 1367190320 /nfs/dbraw/zinc/19/03/20/1367190320.db2.gz DOBIIUNOZUTJDT-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001191947754 1367646847 /nfs/dbraw/zinc/64/68/47/1367646847.db2.gz KOPPHBATHASDJU-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001191947754 1367646851 /nfs/dbraw/zinc/64/68/51/1367646851.db2.gz KOPPHBATHASDJU-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001191947754 1367646854 /nfs/dbraw/zinc/64/68/54/1367646854.db2.gz KOPPHBATHASDJU-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192406108 1367775404 /nfs/dbraw/zinc/77/54/04/1367775404.db2.gz BFFTXCBHSKTIRC-GOSISDBHSA-N 2 1 339.568 3.467 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192406108 1367775407 /nfs/dbraw/zinc/77/54/07/1367775407.db2.gz BFFTXCBHSKTIRC-GOSISDBHSA-N 2 1 339.568 3.467 20 30 EGEDMP CCCCCCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192406108 1367775408 /nfs/dbraw/zinc/77/54/08/1367775408.db2.gz BFFTXCBHSKTIRC-GOSISDBHSA-N 2 1 339.568 3.467 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110738407 1367955471 /nfs/dbraw/zinc/95/54/71/1367955471.db2.gz CQJDJJXGWSDYRW-KURKYZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110738407 1367955476 /nfs/dbraw/zinc/95/54/76/1367955476.db2.gz CQJDJJXGWSDYRW-KURKYZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110738407 1367955478 /nfs/dbraw/zinc/95/54/78/1367955478.db2.gz CQJDJJXGWSDYRW-KURKYZTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965098 1369112037 /nfs/dbraw/zinc/11/20/37/1369112037.db2.gz DZACKXJMLILVSO-HXUWFJFHSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965098 1369112043 /nfs/dbraw/zinc/11/20/43/1369112043.db2.gz DZACKXJMLILVSO-HXUWFJFHSA-N 2 1 347.547 3.284 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001113403109 1369400990 /nfs/dbraw/zinc/40/09/90/1369400990.db2.gz SQHQSVAZLFHWBM-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001113403109 1369400992 /nfs/dbraw/zinc/40/09/92/1369400992.db2.gz SQHQSVAZLFHWBM-LJQANCHMSA-N 2 1 337.552 3.364 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001113529059 1369479373 /nfs/dbraw/zinc/47/93/73/1369479373.db2.gz BUOXKCLCXVFFOA-UYAOXDASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001113529059 1369479376 /nfs/dbraw/zinc/47/93/76/1369479376.db2.gz BUOXKCLCXVFFOA-UYAOXDASSA-N 2 1 343.515 3.178 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001202540049 1369802975 /nfs/dbraw/zinc/80/29/75/1369802975.db2.gz TUEWIKMRBUYFIV-UHFFFAOYSA-N 2 1 337.552 3.291 20 30 EGEDMP CCCCCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203442220 1370128749 /nfs/dbraw/zinc/12/87/49/1370128749.db2.gz HCSRLMRKTJMBPZ-UHFFFAOYSA-N 2 1 325.541 3.269 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C12CCC2 ZINC001203652392 1370201830 /nfs/dbraw/zinc/20/18/30/1370201830.db2.gz UGYBYHWBSPHNST-ZWKOTPCHSA-N 2 1 337.552 3.316 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115533859 1370531261 /nfs/dbraw/zinc/53/12/61/1370531261.db2.gz VPIJMJIDMWYCFH-INIZCTEOSA-N 2 1 341.927 3.020 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630117 1370622987 /nfs/dbraw/zinc/62/29/87/1370622987.db2.gz AOIHMARSKIWMBI-UHFFFAOYSA-N 2 1 346.519 3.347 20 30 EGEDMP C=CCCCCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205241572 1370692264 /nfs/dbraw/zinc/69/22/64/1370692264.db2.gz FHOCXXHIKHJYSR-FQEVSTJZSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420426 1370749044 /nfs/dbraw/zinc/74/90/44/1370749044.db2.gz SXXONLAFANTUKJ-MJGOQNOKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCCCC1 ZINC001115768945 1370753291 /nfs/dbraw/zinc/75/32/91/1370753291.db2.gz OGTUEGMNWIXUBI-RBUKOAKNSA-N 2 1 347.547 3.378 20 30 EGEDMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)CCCCCC)CCCCC1 ZINC001115776101 1370759588 /nfs/dbraw/zinc/75/95/88/1370759588.db2.gz IWFQLZZQJMEDKH-UHFFFAOYSA-N 2 1 337.552 3.483 20 30 EGEDMP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)CC[C@@H]1C[NH3+] ZINC001205654490 1370829956 /nfs/dbraw/zinc/82/99/56/1370829956.db2.gz XALKCAWJTGSFLK-TZMCWYRMSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(C#N)c2)CCC[C@H]1C[NH3+] ZINC001206011477 1370937832 /nfs/dbraw/zinc/93/78/32/1370937832.db2.gz CPYZQCCTXWAWPV-OCCSQVGLSA-N 2 1 336.277 3.128 20 30 EGEDMP C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(Br)ccc2C#N)CC1 ZINC001206312016 1371017409 /nfs/dbraw/zinc/01/74/09/1371017409.db2.gz YBLLLHIBJFRLLU-INIZCTEOSA-N 2 1 336.277 3.272 20 30 EGEDMP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)ccc2C#N)CC1 ZINC001206312016 1371017412 /nfs/dbraw/zinc/01/74/12/1371017412.db2.gz YBLLLHIBJFRLLU-INIZCTEOSA-N 2 1 336.277 3.272 20 30 EGEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001206869201 1371197379 /nfs/dbraw/zinc/19/73/79/1371197379.db2.gz XMDQDQKNQBVNFZ-FQEVSTJZSA-N 2 1 343.515 3.084 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955525 1371244973 /nfs/dbraw/zinc/24/49/73/1371244973.db2.gz XEXNFMXXCHUKDC-QRVBRYPASA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955525 1371244976 /nfs/dbraw/zinc/24/49/76/1371244976.db2.gz XEXNFMXXCHUKDC-QRVBRYPASA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955525 1371244981 /nfs/dbraw/zinc/24/49/81/1371244981.db2.gz XEXNFMXXCHUKDC-QRVBRYPASA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207789644 1371505572 /nfs/dbraw/zinc/50/55/72/1371505572.db2.gz CLWIPVGMXFCCBO-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207789644 1371505575 /nfs/dbraw/zinc/50/55/75/1371505575.db2.gz CLWIPVGMXFCCBO-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207789644 1371505577 /nfs/dbraw/zinc/50/55/77/1371505577.db2.gz CLWIPVGMXFCCBO-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1)CCO2 ZINC001209160985 1372018605 /nfs/dbraw/zinc/01/86/05/1372018605.db2.gz FWLNFCSPPHAUFF-UHFFFAOYSA-N 2 1 344.499 3.328 20 30 EGEDMP C=CCCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1)CCO2 ZINC001209160985 1372018606 /nfs/dbraw/zinc/01/86/06/1372018606.db2.gz FWLNFCSPPHAUFF-UHFFFAOYSA-N 2 1 344.499 3.328 20 30 EGEDMP C=CCCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001209439310 1372107058 /nfs/dbraw/zinc/10/70/58/1372107058.db2.gz MGGSPSYQZDNTPC-AABGKKOBSA-N 2 1 345.535 3.199 20 30 EGEDMP C=CCCCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001209439310 1372107063 /nfs/dbraw/zinc/10/70/63/1372107063.db2.gz MGGSPSYQZDNTPC-AABGKKOBSA-N 2 1 345.535 3.199 20 30 EGEDMP C=CCCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C)C1 ZINC001209439310 1372107066 /nfs/dbraw/zinc/10/70/66/1372107066.db2.gz MGGSPSYQZDNTPC-AABGKKOBSA-N 2 1 345.535 3.199 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001214636809 1373094223 /nfs/dbraw/zinc/09/42/23/1373094223.db2.gz RYAISFADBVIWAD-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214889398 1373136785 /nfs/dbraw/zinc/13/67/85/1373136785.db2.gz KVUPJJYDFIFNNQ-CEXWTWQISA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132141599 1375167804 /nfs/dbraw/zinc/16/78/04/1375167804.db2.gz SMDJKKBNAMOMKA-IAGOWNOFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141599 1375167807 /nfs/dbraw/zinc/16/78/07/1375167807.db2.gz SMDJKKBNAMOMKA-IAGOWNOFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132141599 1375167810 /nfs/dbraw/zinc/16/78/10/1375167810.db2.gz SMDJKKBNAMOMKA-IAGOWNOFSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001132150966 1375171400 /nfs/dbraw/zinc/17/14/00/1375171400.db2.gz ZWPGKZBDMITBJD-RBUKOAKNSA-N 2 1 347.547 3.330 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265796 1375255122 /nfs/dbraw/zinc/25/51/22/1375255122.db2.gz SZOGHRLSATZGHT-HKUYNNGSSA-N 2 1 337.552 3.268 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132518965 1375437524 /nfs/dbraw/zinc/43/75/24/1375437524.db2.gz QQTWNSMSHJISDI-QZTJIDSGSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132518965 1375437527 /nfs/dbraw/zinc/43/75/27/1375437527.db2.gz QQTWNSMSHJISDI-QZTJIDSGSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132518965 1375437530 /nfs/dbraw/zinc/43/75/30/1375437530.db2.gz QQTWNSMSHJISDI-QZTJIDSGSA-N 2 1 325.541 3.266 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549733 1375455929 /nfs/dbraw/zinc/45/59/29/1375455929.db2.gz YWIFDYRANUANQQ-MOPGFXCFSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227791313 1375474684 /nfs/dbraw/zinc/47/46/84/1375474684.db2.gz BOQALPQGBABJBX-HKUYNNGSSA-N 2 1 335.536 3.185 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133346745 1375934876 /nfs/dbraw/zinc/93/48/76/1375934876.db2.gz ONUZNEDQRQJOKQ-RTBURBONSA-N 2 1 339.568 3.371 20 30 EGEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232013387 1376383002 /nfs/dbraw/zinc/38/30/02/1376383002.db2.gz MYIWDAIQMHDOTQ-WOJBJXKFSA-N 2 1 341.455 3.137 20 30 EGEDMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2cc(C#N)ccc21 ZINC001235430045 1376871544 /nfs/dbraw/zinc/87/15/44/1376871544.db2.gz WDVBIXXYYKVLTO-ZWKOTPCHSA-N 2 1 336.483 3.262 20 30 EGEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235632596 1376881754 /nfs/dbraw/zinc/88/17/54/1376881754.db2.gz LYWRYJBVFZCYKE-PMACEKPBSA-N 2 1 336.520 3.125 20 30 EGEDMP C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001235632596 1376881757 /nfs/dbraw/zinc/88/17/57/1376881757.db2.gz LYWRYJBVFZCYKE-PMACEKPBSA-N 2 1 336.520 3.125 20 30 EGEDMP Cc1cnccc1O[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140117020 1378011748 /nfs/dbraw/zinc/01/17/48/1378011748.db2.gz KJDAFWQADQYBHB-KRWDZBQOSA-N 2 1 332.407 3.396 20 30 EGEDMP N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140806550 1378145973 /nfs/dbraw/zinc/14/59/73/1378145973.db2.gz MYXOUHMACGJWRT-GOSISDBHSA-N 2 1 332.407 3.478 20 30 EGEDMP N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)cc1 ZINC001140806550 1378145980 /nfs/dbraw/zinc/14/59/80/1378145980.db2.gz MYXOUHMACGJWRT-GOSISDBHSA-N 2 1 332.407 3.478 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657209 1379236260 /nfs/dbraw/zinc/23/62/60/1379236260.db2.gz QFKCFFOYZIOZMY-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148657209 1379236264 /nfs/dbraw/zinc/23/62/64/1379236264.db2.gz QFKCFFOYZIOZMY-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001148657209 1379236267 /nfs/dbraw/zinc/23/62/67/1379236267.db2.gz QFKCFFOYZIOZMY-UHFFFAOYSA-N 2 1 337.552 3.223 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001148827902 1379277840 /nfs/dbraw/zinc/27/78/40/1379277840.db2.gz QUSMTMNKSFGPPW-UHFFFAOYSA-N 2 1 349.563 3.367 20 30 EGEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153399914 1380070705 /nfs/dbraw/zinc/07/07/05/1380070705.db2.gz JEHFNHKVBDWOMH-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153399914 1380070707 /nfs/dbraw/zinc/07/07/07/1380070707.db2.gz JEHFNHKVBDWOMH-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153399914 1380070709 /nfs/dbraw/zinc/07/07/09/1380070709.db2.gz JEHFNHKVBDWOMH-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854671 1380144323 /nfs/dbraw/zinc/14/43/23/1380144323.db2.gz PFQYRBWATXZXOJ-QGZVFWFLSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854671 1380144324 /nfs/dbraw/zinc/14/43/24/1380144324.db2.gz PFQYRBWATXZXOJ-QGZVFWFLSA-N 2 1 325.541 3.268 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854671 1380144325 /nfs/dbraw/zinc/14/43/25/1380144325.db2.gz PFQYRBWATXZXOJ-QGZVFWFLSA-N 2 1 325.541 3.268 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001157973911 1381090082 /nfs/dbraw/zinc/09/00/82/1381090082.db2.gz XYTQKNBBMGDPNB-QZTJIDSGSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001157973911 1381090091 /nfs/dbraw/zinc/09/00/91/1381090091.db2.gz XYTQKNBBMGDPNB-QZTJIDSGSA-N 2 1 346.519 3.286 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1([NH+](C)C)CCCC1 ZINC001158277642 1381182393 /nfs/dbraw/zinc/18/23/93/1381182393.db2.gz ZZOMYQUUVPTVAI-GOSISDBHSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001158604806 1381316987 /nfs/dbraw/zinc/31/69/87/1381316987.db2.gz BNEPGLKQQYTTJZ-HXUWFJFHSA-N 2 1 343.515 3.251 20 30 EGEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001160559068 1382141653 /nfs/dbraw/zinc/14/16/53/1382141653.db2.gz BOONTFXPIHFODF-UHFFFAOYSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559068 1382141658 /nfs/dbraw/zinc/14/16/58/1382141658.db2.gz BOONTFXPIHFODF-UHFFFAOYSA-N 2 1 347.547 3.354 20 30 EGEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001160559068 1382141662 /nfs/dbraw/zinc/14/16/62/1382141662.db2.gz BOONTFXPIHFODF-UHFFFAOYSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCCCC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160677285 1382168846 /nfs/dbraw/zinc/16/88/46/1382168846.db2.gz WIKSVIZCZZGSOD-UHFFFAOYSA-N 2 1 344.503 3.076 20 30 EGEDMP C=CCCCCC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160677285 1382168850 /nfs/dbraw/zinc/16/88/50/1382168850.db2.gz WIKSVIZCZZGSOD-UHFFFAOYSA-N 2 1 344.503 3.076 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160856521 1382217354 /nfs/dbraw/zinc/21/73/54/1382217354.db2.gz NGZDFCMYAYUFBK-GOSISDBHSA-N 2 1 347.547 3.354 20 30 EGEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356540 1382381602 /nfs/dbraw/zinc/38/16/02/1382381602.db2.gz UNDXAJQFERUWQF-UHFFFAOYSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161356540 1382381605 /nfs/dbraw/zinc/38/16/05/1382381605.db2.gz UNDXAJQFERUWQF-UHFFFAOYSA-N 2 1 344.503 3.111 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001164540361 1383197802 /nfs/dbraw/zinc/19/78/02/1383197802.db2.gz IGAOCNVRTGLRRA-GOSISDBHSA-N 2 1 347.547 3.093 20 30 EGEDMP CCCCCCC[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001167232479 1383570658 /nfs/dbraw/zinc/57/06/58/1383570658.db2.gz DMJMBMRHFSMRGM-SFHVURJKSA-N 2 1 337.552 3.175 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167580488 1383677963 /nfs/dbraw/zinc/67/79/63/1383677963.db2.gz CDOIJKRCYZUIRN-UHFFFAOYSA-N 2 1 336.524 3.463 20 30 EGEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167635232 1383693812 /nfs/dbraw/zinc/69/38/12/1383693812.db2.gz LUMFOBCIAMOANK-GOSISDBHSA-N 2 1 325.541 3.316 20 30 EGEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785838 1384385183 /nfs/dbraw/zinc/38/51/83/1384385183.db2.gz PDOCYMNMQDUGCZ-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001170785678 1384385338 /nfs/dbraw/zinc/38/53/38/1384385338.db2.gz UKMMLMYYUBSRJP-IBGZPJMESA-N 2 1 337.552 3.483 20 30 EGEDMP C[NH+]1C(C)(C)CC([NH+]2CCN(c3cccc(C#N)c3)CC2)CC1(C)C ZINC001171642508 1384590702 /nfs/dbraw/zinc/59/07/02/1384590702.db2.gz KLQGXVKUOAPZLV-UHFFFAOYSA-N 2 1 340.515 3.332 20 30 EGEDMP C=C(C)C(=O)OCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172065784 1384716386 /nfs/dbraw/zinc/71/63/86/1384716386.db2.gz QQHBSSMGBKQHJK-OWZKRDHZSA-N 2 1 342.483 3.281 20 30 EGEDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172301792 1384763687 /nfs/dbraw/zinc/76/36/87/1384763687.db2.gz WVZYLANDLVABCI-QGZVFWFLSA-N 2 1 334.467 3.451 20 30 EGEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001172493707 1384803919 /nfs/dbraw/zinc/80/39/19/1384803919.db2.gz CFAIUNSKWXXTJX-QGZVFWFLSA-N 2 1 331.460 3.029 20 30 EGEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001172493707 1384803923 /nfs/dbraw/zinc/80/39/23/1384803923.db2.gz CFAIUNSKWXXTJX-QGZVFWFLSA-N 2 1 331.460 3.029 20 30 EGEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001174880047 1385163615 /nfs/dbraw/zinc/16/36/15/1385163615.db2.gz BZBGDBKQLJKUFM-PKOBYXMFSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001174879960 1385163878 /nfs/dbraw/zinc/16/38/78/1385163878.db2.gz AQFITFSGYDGXEY-RTBURBONSA-N 2 1 337.552 3.339 20 30 EGEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175527998 1385321344 /nfs/dbraw/zinc/32/13/44/1385321344.db2.gz AICCBWQDISGXOS-HNNXBMFYSA-N 2 1 340.899 3.024 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703651 1385378472 /nfs/dbraw/zinc/37/84/72/1385378472.db2.gz INJFFXVLPYLZTB-QGZVFWFLSA-N 2 1 334.508 3.203 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001177323980 1385914372 /nfs/dbraw/zinc/91/43/72/1385914372.db2.gz MGTWRLUYTVQWFZ-VQTJNVASSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001177348603 1385924389 /nfs/dbraw/zinc/92/43/89/1385924389.db2.gz KMDDUCMJRLPKAY-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178811364 1386314249 /nfs/dbraw/zinc/31/42/49/1386314249.db2.gz SQVWTDSMYRAHDF-MOPGFXCFSA-N 2 1 335.536 3.236 20 30 EGEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178815684 1386316067 /nfs/dbraw/zinc/31/60/67/1386316067.db2.gz JXDVLDSSMRXGPD-IAGOWNOFSA-N 2 1 341.927 3.022 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179589822 1386525263 /nfs/dbraw/zinc/52/52/63/1386525263.db2.gz CDKHBAFWGWFKCX-IBGZPJMESA-N 2 1 341.515 3.041 20 30 EGEDMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc(C#N)c1 ZINC001320641176 1386676043 /nfs/dbraw/zinc/67/60/43/1386676043.db2.gz ZGUIMCJOMTWCRM-SFHVURJKSA-N 2 1 348.494 3.156 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181517549 1387008670 /nfs/dbraw/zinc/00/86/70/1387008670.db2.gz IODZOTDQMUZGIA-FUHIMQAGSA-N 2 1 346.519 3.047 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001345604525 1390868306 /nfs/dbraw/zinc/86/83/06/1390868306.db2.gz BASVMRGPYFNZEN-KRWDZBQOSA-N 2 1 342.487 3.131 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001481536937 1394396352 /nfs/dbraw/zinc/39/63/52/1394396352.db2.gz XHOZYHQCFHSLTC-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001481536937 1394396360 /nfs/dbraw/zinc/39/63/60/1394396360.db2.gz XHOZYHQCFHSLTC-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001481536937 1394396363 /nfs/dbraw/zinc/39/63/63/1394396363.db2.gz XHOZYHQCFHSLTC-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001482035516 1394696262 /nfs/dbraw/zinc/69/62/62/1394696262.db2.gz CPVSZBDFJOVBIG-SFHVURJKSA-N 2 1 349.906 3.019 20 30 EGEDMP CCCCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001701029610 1414690949 /nfs/dbraw/zinc/69/09/49/1414690949.db2.gz DTYRGMQKQNIASU-LJQANCHMSA-N 2 1 349.563 3.412 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001752525283 1440192562 /nfs/dbraw/zinc/19/25/62/1440192562.db2.gz KPFIUQPOIJMRSE-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753352775 1440378664 /nfs/dbraw/zinc/37/86/64/1440378664.db2.gz QFXMQBRNIOLAPN-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753352775 1440378665 /nfs/dbraw/zinc/37/86/65/1440378665.db2.gz QFXMQBRNIOLAPN-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753352775 1440378666 /nfs/dbraw/zinc/37/86/66/1440378666.db2.gz QFXMQBRNIOLAPN-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001753377647 1440387310 /nfs/dbraw/zinc/38/73/10/1440387310.db2.gz GHEKNZXPTNKPRW-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001753377647 1440387311 /nfs/dbraw/zinc/38/73/11/1440387311.db2.gz GHEKNZXPTNKPRW-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001753421909 1440395653 /nfs/dbraw/zinc/39/56/53/1440395653.db2.gz BKGXMEVRJNYJJH-OALUTQOASA-N 2 1 347.547 3.118 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001753669537 1440461496 /nfs/dbraw/zinc/46/14/96/1440461496.db2.gz VZCYKAYNAFEUGR-GOSISDBHSA-N 2 1 335.536 3.234 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)CC[C@H]21 ZINC001753872882 1440518029 /nfs/dbraw/zinc/51/80/29/1440518029.db2.gz PJGKTKWXQKZSKN-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001753872882 1440518030 /nfs/dbraw/zinc/51/80/30/1440518030.db2.gz PJGKTKWXQKZSKN-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)CC[C@H]21 ZINC001753872882 1440518031 /nfs/dbraw/zinc/51/80/31/1440518031.db2.gz PJGKTKWXQKZSKN-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001754722119 1440673774 /nfs/dbraw/zinc/67/37/74/1440673774.db2.gz MEGZXZXVRYMPBH-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001754866184 1440702819 /nfs/dbraw/zinc/70/28/19/1440702819.db2.gz VUBMNYSDHBIWKF-QRVBRYPASA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001754946279 1440713087 /nfs/dbraw/zinc/71/30/87/1440713087.db2.gz CTKVZOKNIANLOB-UHFFFAOYSA-N 2 1 343.515 3.043 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001755034293 1440733406 /nfs/dbraw/zinc/73/34/06/1440733406.db2.gz OVBNCIDTQZXJKF-RTBURBONSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755138297 1440759258 /nfs/dbraw/zinc/75/92/58/1440759258.db2.gz KAYBDWJRQKGSHA-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138297 1440759259 /nfs/dbraw/zinc/75/92/59/1440759259.db2.gz KAYBDWJRQKGSHA-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138297 1440759260 /nfs/dbraw/zinc/75/92/60/1440759260.db2.gz KAYBDWJRQKGSHA-ROUUACIJSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001755193132 1440775555 /nfs/dbraw/zinc/77/55/55/1440775555.db2.gz SDOQJQMHLRTRHM-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001755193132 1440775556 /nfs/dbraw/zinc/77/55/56/1440775556.db2.gz SDOQJQMHLRTRHM-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001755193132 1440775557 /nfs/dbraw/zinc/77/55/57/1440775557.db2.gz SDOQJQMHLRTRHM-QUCCMNQESA-N 2 1 347.547 3.140 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000173821886 533460324 /nfs/dbraw/zinc/46/03/24/533460324.db2.gz YCJVJFJPAYXPGU-QGZVFWFLSA-N 2 1 335.451 3.241 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000122140236 222022663 /nfs/dbraw/zinc/02/26/63/222022663.db2.gz WONWEFKQSAYLMR-UHFFFAOYSA-N 2 1 329.488 3.129 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC)C2)ccc1OC ZINC000057970078 454158594 /nfs/dbraw/zinc/15/85/94/454158594.db2.gz SQQOGVDBWNPPLO-GOSISDBHSA-N 2 1 332.488 3.472 20 30 EGEDMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000090004356 454260559 /nfs/dbraw/zinc/26/05/59/454260559.db2.gz POUPYPBTISXONG-QGZVFWFLSA-N 2 1 327.859 3.380 20 30 EGEDMP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000090004356 454260564 /nfs/dbraw/zinc/26/05/64/454260564.db2.gz POUPYPBTISXONG-QGZVFWFLSA-N 2 1 327.859 3.380 20 30 EGEDMP N#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000072659114 454323430 /nfs/dbraw/zinc/32/34/30/454323430.db2.gz YTMRDAIJAZZATA-UHFFFAOYSA-N 2 1 335.451 3.343 20 30 EGEDMP CN(CCC#N)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660106 454726768 /nfs/dbraw/zinc/72/67/68/454726768.db2.gz WKRSMPRZLQAXAH-IBGZPJMESA-N 2 1 328.504 3.343 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000093660106 454726772 /nfs/dbraw/zinc/72/67/72/454726772.db2.gz WKRSMPRZLQAXAH-IBGZPJMESA-N 2 1 328.504 3.343 20 30 EGEDMP CN(CCC#N)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000093660106 454726774 /nfs/dbraw/zinc/72/67/74/454726774.db2.gz WKRSMPRZLQAXAH-IBGZPJMESA-N 2 1 328.504 3.343 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185748484 455614523 /nfs/dbraw/zinc/61/45/23/455614523.db2.gz OLTKIPFZMCBMMH-OKZBNKHCSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185748484 455614528 /nfs/dbraw/zinc/61/45/28/455614528.db2.gz OLTKIPFZMCBMMH-OKZBNKHCSA-N 2 1 335.536 3.042 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688792 455711736 /nfs/dbraw/zinc/71/17/36/455711736.db2.gz OMGVZQMIOXUTQN-YFVAEKQCSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688792 455711741 /nfs/dbraw/zinc/71/17/41/455711741.db2.gz OMGVZQMIOXUTQN-YFVAEKQCSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688792 455711744 /nfs/dbraw/zinc/71/17/44/455711744.db2.gz OMGVZQMIOXUTQN-YFVAEKQCSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688792 455711747 /nfs/dbraw/zinc/71/17/47/455711747.db2.gz OMGVZQMIOXUTQN-YFVAEKQCSA-N 2 1 341.499 3.178 20 30 EGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000268688792 455711751 /nfs/dbraw/zinc/71/17/51/455711751.db2.gz OMGVZQMIOXUTQN-YFVAEKQCSA-N 2 1 341.499 3.178 20 30 EGEDMP C=CCc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(OC)c1O ZINC000289768774 456141211 /nfs/dbraw/zinc/14/12/11/456141211.db2.gz RFQIDEBTNQKIRC-JWTNVVGKSA-N 2 1 330.472 3.186 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(OC)c1O ZINC000289768774 456141220 /nfs/dbraw/zinc/14/12/20/456141220.db2.gz RFQIDEBTNQKIRC-JWTNVVGKSA-N 2 1 330.472 3.186 20 30 EGEDMP C=CCc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1O ZINC000289768774 456141226 /nfs/dbraw/zinc/14/12/26/456141226.db2.gz RFQIDEBTNQKIRC-JWTNVVGKSA-N 2 1 330.472 3.186 20 30 EGEDMP C=CCc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1O ZINC000289768774 456141232 /nfs/dbraw/zinc/14/12/32/456141232.db2.gz RFQIDEBTNQKIRC-JWTNVVGKSA-N 2 1 330.472 3.186 20 30 EGEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304473209 456515793 /nfs/dbraw/zinc/51/57/93/456515793.db2.gz FXHNCJVHBOUESQ-WMZOPIPTSA-N 2 1 344.503 3.069 20 30 EGEDMP CN(c1ccccc1C[NH+]1CCC(F)(C#N)CC1)C1CC[NH+](C)CC1 ZINC000348709716 456824686 /nfs/dbraw/zinc/82/46/86/456824686.db2.gz NCWBCDIEFRFZEM-UHFFFAOYSA-N 2 1 344.478 3.045 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3nccn3C)C2)c1C ZINC000365632758 457767985 /nfs/dbraw/zinc/76/79/85/457767985.db2.gz UFGRYGNLYIROFI-KRWDZBQOSA-N 2 1 340.471 3.087 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1C ZINC000365632758 457767987 /nfs/dbraw/zinc/76/79/87/457767987.db2.gz UFGRYGNLYIROFI-KRWDZBQOSA-N 2 1 340.471 3.087 20 30 EGEDMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602545875 459992051 /nfs/dbraw/zinc/99/20/51/459992051.db2.gz RBVYKSQZSDPTNN-QGZVFWFLSA-N 2 1 329.488 3.327 20 30 EGEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)C1 ZINC000598700514 459998153 /nfs/dbraw/zinc/99/81/53/459998153.db2.gz OLHQHERIDBPCOM-FXAWDEMLSA-N 2 1 343.515 3.309 20 30 EGEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629657237 460850510 /nfs/dbraw/zinc/85/05/10/460850510.db2.gz VCNILYLNMLJWJA-HOCLYGCPSA-N 2 1 328.378 3.211 20 30 EGEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629657237 460850516 /nfs/dbraw/zinc/85/05/16/460850516.db2.gz VCNILYLNMLJWJA-HOCLYGCPSA-N 2 1 328.378 3.211 20 30 EGEDMP C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647977986 461921038 /nfs/dbraw/zinc/92/10/38/461921038.db2.gz KRLYJTJQAKNFBI-MOPGFXCFSA-N 2 1 343.515 3.185 20 30 EGEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+]1CCc2ccccc2C1 ZINC000303897768 1296874629 /nfs/dbraw/zinc/87/46/29/1296874629.db2.gz VCIQLQWLPWXCTO-MRXNPFEDSA-N 2 1 348.494 3.349 20 30 EGEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+]1CCc2ccccc2C1 ZINC000303897768 1296874650 /nfs/dbraw/zinc/87/46/50/1296874650.db2.gz VCIQLQWLPWXCTO-MRXNPFEDSA-N 2 1 348.494 3.349 20 30 EGEDMP C=CC(C)(C)CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000879290754 1300470926 /nfs/dbraw/zinc/47/09/26/1300470926.db2.gz MSBKLGMISIILDY-OALUTQOASA-N 2 1 349.563 3.384 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886668398 1303547860 /nfs/dbraw/zinc/54/78/60/1303547860.db2.gz RVIAYPXRVLAWRT-MRXNPFEDSA-N 2 1 332.492 3.019 20 30 EGEDMP C=CCc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(OC)c1OC ZINC000775403794 1303958744 /nfs/dbraw/zinc/95/87/44/1303958744.db2.gz IYZKBCLNDGYDLH-UHFFFAOYSA-N 2 1 344.499 3.396 20 30 EGEDMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cc(C#N)ccc2Br)C1 ZINC000894495851 1308921202 /nfs/dbraw/zinc/92/12/02/1308921202.db2.gz LLJIPEPJAWHAIW-YOEHRIQHSA-N 2 1 348.288 3.237 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552781 1319662358 /nfs/dbraw/zinc/66/23/58/1319662358.db2.gz NOACIJWQUOWLLG-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552781 1319662364 /nfs/dbraw/zinc/66/23/64/1319662364.db2.gz NOACIJWQUOWLLG-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552781 1319662372 /nfs/dbraw/zinc/66/23/72/1319662372.db2.gz NOACIJWQUOWLLG-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552784 1319662998 /nfs/dbraw/zinc/66/29/98/1319662998.db2.gz NOACIJWQUOWLLG-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552784 1319663007 /nfs/dbraw/zinc/66/30/07/1319663007.db2.gz NOACIJWQUOWLLG-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552784 1319663014 /nfs/dbraw/zinc/66/30/14/1319663014.db2.gz NOACIJWQUOWLLG-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001023552783 1319664345 /nfs/dbraw/zinc/66/43/45/1319664345.db2.gz NOACIJWQUOWLLG-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001023552783 1319664355 /nfs/dbraw/zinc/66/43/55/1319664355.db2.gz NOACIJWQUOWLLG-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001023552783 1319664363 /nfs/dbraw/zinc/66/43/63/1319664363.db2.gz NOACIJWQUOWLLG-QUCCMNQESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])NCc1ccc(C)cc1)C(C)C ZINC000849071248 1322066451 /nfs/dbraw/zinc/06/64/51/1322066451.db2.gz YUVROKRXBCRKCM-LJQANCHMSA-N 2 1 328.504 3.308 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001024618407 1323546806 /nfs/dbraw/zinc/54/68/06/1323546806.db2.gz UHKVJFNVHDSAMA-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618407 1323546814 /nfs/dbraw/zinc/54/68/14/1323546814.db2.gz UHKVJFNVHDSAMA-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618407 1323546820 /nfs/dbraw/zinc/54/68/20/1323546820.db2.gz UHKVJFNVHDSAMA-PMACEKPBSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001024618410 1323547688 /nfs/dbraw/zinc/54/76/88/1323547688.db2.gz UHKVJFNVHDSAMA-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001024618410 1323547695 /nfs/dbraw/zinc/54/76/95/1323547695.db2.gz UHKVJFNVHDSAMA-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001024618410 1323547697 /nfs/dbraw/zinc/54/76/97/1323547697.db2.gz UHKVJFNVHDSAMA-VQTJNVASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250273 1324050066 /nfs/dbraw/zinc/05/00/66/1324050066.db2.gz ALIHQACMSYUJFK-OALUTQOASA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025250273 1324050068 /nfs/dbraw/zinc/05/00/68/1324050068.db2.gz ALIHQACMSYUJFK-OALUTQOASA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025257645 1324064328 /nfs/dbraw/zinc/06/43/28/1324064328.db2.gz FMNXYNYZIBCPEB-MOPGFXCFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025264498 1324076760 /nfs/dbraw/zinc/07/67/60/1324076760.db2.gz ARSUSDDCLIJFLG-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025264498 1324076762 /nfs/dbraw/zinc/07/67/62/1324076762.db2.gz ARSUSDDCLIJFLG-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025264498 1324076766 /nfs/dbraw/zinc/07/67/66/1324076766.db2.gz ARSUSDDCLIJFLG-MOPGFXCFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025627614 1324478834 /nfs/dbraw/zinc/47/88/34/1324478834.db2.gz ADHQUIRQZWDUPZ-MSOLQXFVSA-N 2 1 343.515 3.155 20 30 EGEDMP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000926126533 1325439245 /nfs/dbraw/zinc/43/92/45/1325439245.db2.gz QOOXOPNSWHDAFQ-VQIMIIECSA-N 2 1 329.488 3.061 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485381 1328318462 /nfs/dbraw/zinc/31/84/62/1328318462.db2.gz BEZSVRHZXUHLAF-RDJZCZTQSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000966485381 1328318470 /nfs/dbraw/zinc/31/84/70/1328318470.db2.gz BEZSVRHZXUHLAF-RDJZCZTQSA-N 2 1 349.544 3.216 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948070349 1333364860 /nfs/dbraw/zinc/36/48/60/1333364860.db2.gz OOVORDGVTXTZNQ-WBVHZDCISA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948070349 1333364862 /nfs/dbraw/zinc/36/48/62/1333364862.db2.gz OOVORDGVTXTZNQ-WBVHZDCISA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719498 1336335559 /nfs/dbraw/zinc/33/55/59/1336335559.db2.gz RZWIPMZNMJSLTP-MJGOQNOKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001008086562 1336766418 /nfs/dbraw/zinc/76/64/18/1336766418.db2.gz CWVFLHXIXDLEQP-GOSISDBHSA-N 2 1 338.455 3.033 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755036 1340792009 /nfs/dbraw/zinc/79/20/09/1340792009.db2.gz FEFPZCIXHDZKIC-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755036 1340792011 /nfs/dbraw/zinc/79/20/11/1340792011.db2.gz FEFPZCIXHDZKIC-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755036 1340792012 /nfs/dbraw/zinc/79/20/12/1340792012.db2.gz FEFPZCIXHDZKIC-ICSRJNTNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001032584127 1341549018 /nfs/dbraw/zinc/54/90/18/1341549018.db2.gz NYYBEHPLZMYIHL-UFYCRDLUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001032584127 1341549020 /nfs/dbraw/zinc/54/90/20/1341549020.db2.gz NYYBEHPLZMYIHL-UFYCRDLUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584127 1341549022 /nfs/dbraw/zinc/54/90/22/1341549022.db2.gz NYYBEHPLZMYIHL-UFYCRDLUSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)CC2 ZINC001035837013 1343220520 /nfs/dbraw/zinc/22/05/20/1343220520.db2.gz FBZAKGXGGAQPIE-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037934168 1344189460 /nfs/dbraw/zinc/18/94/60/1344189460.db2.gz LDQKEBSQGYWSJD-ZWKOTPCHSA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001039289433 1344998648 /nfs/dbraw/zinc/99/86/48/1344998648.db2.gz UOEXJIXXOKWHOL-QZNYNHHHSA-N 2 1 345.531 3.081 20 30 EGEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040241709 1345391903 /nfs/dbraw/zinc/39/19/03/1345391903.db2.gz RNHHXTCCHAQNGY-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241709 1345391906 /nfs/dbraw/zinc/39/19/06/1345391906.db2.gz RNHHXTCCHAQNGY-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040241709 1345391908 /nfs/dbraw/zinc/39/19/08/1345391908.db2.gz RNHHXTCCHAQNGY-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001040433589 1345496179 /nfs/dbraw/zinc/49/61/79/1345496179.db2.gz XVRWWODEIDTVFW-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433589 1345496182 /nfs/dbraw/zinc/49/61/82/1345496182.db2.gz XVRWWODEIDTVFW-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001040433589 1345496184 /nfs/dbraw/zinc/49/61/84/1345496184.db2.gz XVRWWODEIDTVFW-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001045938168 1346774134 /nfs/dbraw/zinc/77/41/34/1346774134.db2.gz TYYBOIRUXSYDQF-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938168 1346774136 /nfs/dbraw/zinc/77/41/36/1346774136.db2.gz TYYBOIRUXSYDQF-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001045938168 1346774138 /nfs/dbraw/zinc/77/41/38/1346774138.db2.gz TYYBOIRUXSYDQF-CTNGQTDRSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049514214 1347886593 /nfs/dbraw/zinc/88/65/93/1347886593.db2.gz YZPUEJQUBKXQSR-SJORKVTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1sccc1C[NH+](C)C ZINC001049514214 1347886596 /nfs/dbraw/zinc/88/65/96/1347886596.db2.gz YZPUEJQUBKXQSR-SJORKVTESA-N 2 1 347.528 3.065 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049563657 1347911853 /nfs/dbraw/zinc/91/18/53/1347911853.db2.gz GNNOXOUOLQJFMC-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563657 1347911857 /nfs/dbraw/zinc/91/18/57/1347911857.db2.gz GNNOXOUOLQJFMC-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049563657 1347911859 /nfs/dbraw/zinc/91/18/59/1347911859.db2.gz GNNOXOUOLQJFMC-MOPGFXCFSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049906810 1348104675 /nfs/dbraw/zinc/10/46/75/1348104675.db2.gz AHZFOEPNYMEYFK-WOJBJXKFSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001049914870 1348109608 /nfs/dbraw/zinc/10/96/08/1348109608.db2.gz RMRFIWSXHDITSX-VAMGGRTRSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652116 1348614223 /nfs/dbraw/zinc/61/42/23/1348614223.db2.gz SYPOTWYCMDNCIY-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652116 1348614225 /nfs/dbraw/zinc/61/42/25/1348614225.db2.gz SYPOTWYCMDNCIY-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652116 1348614226 /nfs/dbraw/zinc/61/42/26/1348614226.db2.gz SYPOTWYCMDNCIY-AZUAARDMSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001054209241 1349210770 /nfs/dbraw/zinc/21/07/70/1349210770.db2.gz MAXOZVKFFFMAOI-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209241 1349210772 /nfs/dbraw/zinc/21/07/72/1349210772.db2.gz MAXOZVKFFFMAOI-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001054209241 1349210776 /nfs/dbraw/zinc/21/07/76/1349210776.db2.gz MAXOZVKFFFMAOI-TZIWHRDSSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183221414 1387281670 /nfs/dbraw/zinc/28/16/70/1387281670.db2.gz HPIXCOKRRCMVFU-WSTZPKSXSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749601 1359626344 /nfs/dbraw/zinc/62/63/44/1359626344.db2.gz QYYMIJHTSGQNSP-OTWHNJEPSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749601 1359626345 /nfs/dbraw/zinc/62/63/45/1359626345.db2.gz QYYMIJHTSGQNSP-OTWHNJEPSA-N 2 1 335.536 3.185 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749601 1359626350 /nfs/dbraw/zinc/62/63/50/1359626350.db2.gz QYYMIJHTSGQNSP-OTWHNJEPSA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407308 1360406171 /nfs/dbraw/zinc/40/61/71/1360406171.db2.gz YIVYDORTEJBUBE-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407308 1360406174 /nfs/dbraw/zinc/40/61/74/1360406174.db2.gz YIVYDORTEJBUBE-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407308 1360406176 /nfs/dbraw/zinc/40/61/76/1360406176.db2.gz YIVYDORTEJBUBE-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC(C)(C)C1 ZINC001089419822 1360413815 /nfs/dbraw/zinc/41/38/15/1360413815.db2.gz IOMOMKUBCBWPEI-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419822 1360413816 /nfs/dbraw/zinc/41/38/16/1360413816.db2.gz IOMOMKUBCBWPEI-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089419822 1360413817 /nfs/dbraw/zinc/41/38/17/1360413817.db2.gz IOMOMKUBCBWPEI-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC(C)(C)C1 ZINC001089457843 1360444902 /nfs/dbraw/zinc/44/49/02/1360444902.db2.gz HBOFJKFBWRVIAC-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001089649635 1360562789 /nfs/dbraw/zinc/56/27/89/1360562789.db2.gz MBDZTZYGZGKDQI-RBUKOAKNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649635 1360562790 /nfs/dbraw/zinc/56/27/90/1360562790.db2.gz MBDZTZYGZGKDQI-RBUKOAKNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001089649635 1360562793 /nfs/dbraw/zinc/56/27/93/1360562793.db2.gz MBDZTZYGZGKDQI-RBUKOAKNSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001099080124 1363612075 /nfs/dbraw/zinc/61/20/75/1363612075.db2.gz MOVKKUUWNAPQHU-SJORKVTESA-N 2 1 346.519 3.189 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001099080124 1363612076 /nfs/dbraw/zinc/61/20/76/1363612076.db2.gz MOVKKUUWNAPQHU-SJORKVTESA-N 2 1 346.519 3.189 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001099106370 1363624916 /nfs/dbraw/zinc/62/49/16/1363624916.db2.gz DWULGQWKTPLJOG-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106370 1363624918 /nfs/dbraw/zinc/62/49/18/1363624918.db2.gz DWULGQWKTPLJOG-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001099106370 1363624920 /nfs/dbraw/zinc/62/49/20/1363624920.db2.gz DWULGQWKTPLJOG-OALUTQOASA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001099228918 1363701757 /nfs/dbraw/zinc/70/17/57/1363701757.db2.gz CZKAITHZDYTDFL-MSOLQXFVSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099280938 1363730046 /nfs/dbraw/zinc/73/00/46/1363730046.db2.gz OYHPDMBDEHOVNK-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001099372919 1363778071 /nfs/dbraw/zinc/77/80/71/1363778071.db2.gz QVTQARFGSJRKFG-IBGZPJMESA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406557 1364103929 /nfs/dbraw/zinc/10/39/29/1364103929.db2.gz ARWWHMKQRRQZCO-MHJFOBGBSA-N 2 1 349.563 3.480 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368613 1364530544 /nfs/dbraw/zinc/53/05/44/1364530544.db2.gz DLCCIUKQBLIYIR-OPYAIIAOSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368613 1364530548 /nfs/dbraw/zinc/53/05/48/1364530548.db2.gz DLCCIUKQBLIYIR-OPYAIIAOSA-N 2 1 349.563 3.099 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368613 1364530552 /nfs/dbraw/zinc/53/05/52/1364530552.db2.gz DLCCIUKQBLIYIR-OPYAIIAOSA-N 2 1 349.563 3.099 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001101547479 1364611284 /nfs/dbraw/zinc/61/12/84/1364611284.db2.gz CDKQNJMHSUYRAG-UHFFFAOYSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001101551559 1364614344 /nfs/dbraw/zinc/61/43/44/1364614344.db2.gz QBOMRAQAUBKAIX-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001101589559 1364640057 /nfs/dbraw/zinc/64/00/57/1364640057.db2.gz UJCNMAWJXQEGID-GOSISDBHSA-N 2 1 349.563 3.149 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984932 1364799888 /nfs/dbraw/zinc/79/98/88/1364799888.db2.gz SHMZUJFBNWXOGS-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984932 1364799890 /nfs/dbraw/zinc/79/98/90/1364799890.db2.gz SHMZUJFBNWXOGS-KZNAEPCWSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103087400 1365373988 /nfs/dbraw/zinc/37/39/88/1365373988.db2.gz GHZUTVMJCBBQQC-MISYRCLQSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001185549683 1387745833 /nfs/dbraw/zinc/74/58/33/1387745833.db2.gz RHBIXAAUYZMJBJ-OALUTQOASA-N 2 1 337.552 3.149 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426918 1365553219 /nfs/dbraw/zinc/55/32/19/1365553219.db2.gz SYIZYLKDECMNIH-QRVBRYPASA-N 2 1 337.552 3.147 20 30 EGEDMP C=CCCCCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294197 1365978525 /nfs/dbraw/zinc/97/85/25/1365978525.db2.gz CAESUQYZWKIQOS-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573257 1366082699 /nfs/dbraw/zinc/08/26/99/1366082699.db2.gz NXPJCRDKZLBBQG-VAMGGRTRSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001105542056 1366520224 /nfs/dbraw/zinc/52/02/24/1366520224.db2.gz OBYFDYZEUAEEST-IBGZPJMESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](CC)CC)CCC[C@@H]12 ZINC001107544107 1367035676 /nfs/dbraw/zinc/03/56/76/1367035676.db2.gz MNNHDSKJWBBSOD-SFHLNBCPSA-N 2 1 349.563 3.434 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717389 1367291159 /nfs/dbraw/zinc/29/11/59/1367291159.db2.gz ODXVINLZYKHBMC-RDGPPVDQSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109717389 1367291164 /nfs/dbraw/zinc/29/11/64/1367291164.db2.gz ODXVINLZYKHBMC-RDGPPVDQSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001109717389 1367291169 /nfs/dbraw/zinc/29/11/69/1367291169.db2.gz ODXVINLZYKHBMC-RDGPPVDQSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351926 1367482628 /nfs/dbraw/zinc/48/26/28/1367482628.db2.gz OJROLLZTAQATEB-LJQANCHMSA-N 2 1 342.487 3.451 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191542243 1367524594 /nfs/dbraw/zinc/52/45/94/1367524594.db2.gz FPENVLPJFJKMRG-UXHICEINSA-N 2 1 349.563 3.364 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683856 1367560846 /nfs/dbraw/zinc/56/08/46/1367560846.db2.gz LRLGQQAGNBDOOV-SFHVURJKSA-N 2 1 337.552 3.364 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001110765671 1367967561 /nfs/dbraw/zinc/96/75/61/1367967561.db2.gz LEGQSOOQQXFQGG-QRVBRYPASA-N 2 1 347.547 3.307 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001111127225 1368161650 /nfs/dbraw/zinc/16/16/50/1368161650.db2.gz BAOFSWOKJUZTDF-AITUJVMLSA-N 2 1 344.503 3.056 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001111127225 1368161654 /nfs/dbraw/zinc/16/16/54/1368161654.db2.gz BAOFSWOKJUZTDF-AITUJVMLSA-N 2 1 344.503 3.056 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001111127225 1368161656 /nfs/dbraw/zinc/16/16/56/1368161656.db2.gz BAOFSWOKJUZTDF-AITUJVMLSA-N 2 1 344.503 3.056 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001111160038 1368170345 /nfs/dbraw/zinc/17/03/45/1368170345.db2.gz BNNJTOUXCCFOSR-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111160038 1368170352 /nfs/dbraw/zinc/17/03/52/1368170352.db2.gz BNNJTOUXCCFOSR-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111160038 1368170354 /nfs/dbraw/zinc/17/03/54/1368170354.db2.gz BNNJTOUXCCFOSR-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226638 1368212338 /nfs/dbraw/zinc/21/23/38/1368212338.db2.gz DIIZCJUZBXMPKP-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821107 1368482218 /nfs/dbraw/zinc/48/22/18/1368482218.db2.gz KUXJLGOVSBTEDJ-RXVVDRJESA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060534 1368542638 /nfs/dbraw/zinc/54/26/38/1368542638.db2.gz YZBZGLOYNTVGNK-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060534 1368542640 /nfs/dbraw/zinc/54/26/40/1368542640.db2.gz YZBZGLOYNTVGNK-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060534 1368542642 /nfs/dbraw/zinc/54/26/42/1368542642.db2.gz YZBZGLOYNTVGNK-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112353634 1368784810 /nfs/dbraw/zinc/78/48/10/1368784810.db2.gz SLZUTNDWWXXYGR-ZJOUEHCJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001197810173 1368902945 /nfs/dbraw/zinc/90/29/45/1368902945.db2.gz SXAWFBMFQAICNU-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC001197810648 1368904327 /nfs/dbraw/zinc/90/43/27/1368904327.db2.gz ZETNTGVSLZVLPN-HXUWFJFHSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197810648 1368904333 /nfs/dbraw/zinc/90/43/33/1368904333.db2.gz ZETNTGVSLZVLPN-HXUWFJFHSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810648 1368904335 /nfs/dbraw/zinc/90/43/35/1368904335.db2.gz ZETNTGVSLZVLPN-HXUWFJFHSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)CC1 ZINC001197810648 1368904338 /nfs/dbraw/zinc/90/43/38/1368904338.db2.gz ZETNTGVSLZVLPN-HXUWFJFHSA-N 2 1 343.515 3.180 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001113441687 1369431189 /nfs/dbraw/zinc/43/11/89/1369431189.db2.gz NLPLHACUXWOOTK-IBGZPJMESA-N 2 1 337.552 3.243 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001113520130 1369474879 /nfs/dbraw/zinc/47/48/79/1369474879.db2.gz NLLOJVGPRXHKHB-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001114502671 1369977207 /nfs/dbraw/zinc/97/72/07/1369977207.db2.gz ZBMHPFFOHDZSSG-WCIQWLHISA-N 2 1 349.563 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001114502671 1369977212 /nfs/dbraw/zinc/97/72/12/1369977212.db2.gz ZBMHPFFOHDZSSG-WCIQWLHISA-N 2 1 349.563 3.124 20 30 EGEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001114502671 1369977215 /nfs/dbraw/zinc/97/72/15/1369977215.db2.gz ZBMHPFFOHDZSSG-WCIQWLHISA-N 2 1 349.563 3.124 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C12CCC2 ZINC001203102319 1369984055 /nfs/dbraw/zinc/98/40/55/1369984055.db2.gz HYGMTLYLGOYGBL-QZTJIDSGSA-N 2 1 347.547 3.233 20 30 EGEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001114920867 1370150212 /nfs/dbraw/zinc/15/02/12/1370150212.db2.gz BYCIDRVICCROTO-ZRNYENFQSA-N 2 1 349.563 3.268 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C12CCC2 ZINC001203791694 1370266932 /nfs/dbraw/zinc/26/69/32/1370266932.db2.gz KDQHBWQXXWKLNB-ZWKOTPCHSA-N 2 1 337.552 3.314 20 30 EGEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCCC1 ZINC001115592198 1370593927 /nfs/dbraw/zinc/59/39/27/1370593927.db2.gz YGWSFHVLLQIGJN-RBUKOAKNSA-N 2 1 347.547 3.378 20 30 EGEDMP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CCC[C@H]1C[NH3+] ZINC001205995468 1370933020 /nfs/dbraw/zinc/93/30/20/1370933020.db2.gz OILSHKWXQQYXHI-JSGCOSHPSA-N 2 1 336.277 3.128 20 30 EGEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001206024162 1370941483 /nfs/dbraw/zinc/94/14/83/1370941483.db2.gz ZFWQUFAFUAWTDD-FQEVSTJZSA-N 2 1 347.547 3.188 20 30 EGEDMP Cn1cc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC001207108967 1371295659 /nfs/dbraw/zinc/29/56/59/1371295659.db2.gz QORBRPCGHLYNCL-LEWJYISDSA-N 2 1 348.494 3.241 20 30 EGEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC001207108967 1371295662 /nfs/dbraw/zinc/29/56/62/1371295662.db2.gz QORBRPCGHLYNCL-LEWJYISDSA-N 2 1 348.494 3.241 20 30 EGEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC001207108967 1371295663 /nfs/dbraw/zinc/29/56/63/1371295663.db2.gz QORBRPCGHLYNCL-LEWJYISDSA-N 2 1 348.494 3.241 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001207547149 1371432187 /nfs/dbraw/zinc/43/21/87/1371432187.db2.gz MWECRZDOQQQTQX-KURKYZTESA-N 2 1 346.519 3.167 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001207547149 1371432193 /nfs/dbraw/zinc/43/21/93/1371432193.db2.gz MWECRZDOQQQTQX-KURKYZTESA-N 2 1 346.519 3.167 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396247 1371752827 /nfs/dbraw/zinc/75/28/27/1371752827.db2.gz PJUSVGDGHFQJIF-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208396247 1371752839 /nfs/dbraw/zinc/75/28/39/1371752839.db2.gz PJUSVGDGHFQJIF-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208396247 1371752842 /nfs/dbraw/zinc/75/28/42/1371752842.db2.gz PJUSVGDGHFQJIF-VAMGGRTRSA-N 2 1 349.563 3.291 20 30 EGEDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208853215 1371918136 /nfs/dbraw/zinc/91/81/36/1371918136.db2.gz GBDSLBYTLHWPPZ-NRFANRHFSA-N 2 1 341.499 3.066 20 30 EGEDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208853215 1371918138 /nfs/dbraw/zinc/91/81/38/1371918138.db2.gz GBDSLBYTLHWPPZ-NRFANRHFSA-N 2 1 341.499 3.066 20 30 EGEDMP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4ccc(C#N)cc4)C[C@H]3C2)cc1 ZINC001208922484 1371945858 /nfs/dbraw/zinc/94/58/58/1371945858.db2.gz HXXQMOWYPQYZJP-ZRZAMGCNSA-N 2 1 345.490 3.473 20 30 EGEDMP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4ccc(C#N)cc4)C[C@H]3C2)cc1 ZINC001208922484 1371945863 /nfs/dbraw/zinc/94/58/63/1371945863.db2.gz HXXQMOWYPQYZJP-ZRZAMGCNSA-N 2 1 345.490 3.473 20 30 EGEDMP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](CCc4ccc(C#N)cc4)C[C@H]3C2)cc1 ZINC001208922484 1371945866 /nfs/dbraw/zinc/94/58/66/1371945866.db2.gz HXXQMOWYPQYZJP-ZRZAMGCNSA-N 2 1 345.490 3.473 20 30 EGEDMP C=CCCCCCC[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001209437339 1372106557 /nfs/dbraw/zinc/10/65/57/1372106557.db2.gz ITDYRTHPPLKEHJ-UHFFFAOYSA-N 2 1 345.535 3.259 20 30 EGEDMP N#Cc1ccccc1OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209451341 1372109687 /nfs/dbraw/zinc/10/96/87/1372109687.db2.gz UTRPMYKTHWYTFJ-UHFFFAOYSA-N 2 1 327.472 3.277 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210237121 1372300990 /nfs/dbraw/zinc/30/09/90/1372300990.db2.gz ZHUHFQPEDZKWBK-RTBURBONSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211336745 1372534215 /nfs/dbraw/zinc/53/42/15/1372534215.db2.gz CVMRMTXQNVLPDZ-MBOZVWFJSA-N 2 1 343.515 3.153 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111385 1375152897 /nfs/dbraw/zinc/15/28/97/1375152897.db2.gz QJIQLUYKNIAEFX-ROUUACIJSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111385 1375152903 /nfs/dbraw/zinc/15/29/03/1375152903.db2.gz QJIQLUYKNIAEFX-ROUUACIJSA-N 2 1 337.552 3.410 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132111385 1375152907 /nfs/dbraw/zinc/15/29/07/1375152907.db2.gz QJIQLUYKNIAEFX-ROUUACIJSA-N 2 1 337.552 3.410 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[C@H]1C ZINC001132140833 1375166952 /nfs/dbraw/zinc/16/69/52/1375166952.db2.gz LIZJYRJSKBYMHA-SJORKVTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140833 1375166959 /nfs/dbraw/zinc/16/69/59/1375166959.db2.gz LIZJYRJSKBYMHA-SJORKVTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132140833 1375166962 /nfs/dbraw/zinc/16/69/62/1375166962.db2.gz LIZJYRJSKBYMHA-SJORKVTESA-N 2 1 335.536 3.185 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132340211 1375319352 /nfs/dbraw/zinc/31/93/52/1375319352.db2.gz OPSQZZRMKZROQG-UYAOXDASSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001132380135 1375341011 /nfs/dbraw/zinc/34/10/11/1375341011.db2.gz FPJAZNCENKACIF-UXHICEINSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227150316 1375397820 /nfs/dbraw/zinc/39/78/20/1375397820.db2.gz OBWSFAUGSVUSMS-QZTJIDSGSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132492276 1375423837 /nfs/dbraw/zinc/42/38/37/1375423837.db2.gz DJOWPUJSICWWTO-RTBURBONSA-N 2 1 335.536 3.188 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228852388 1375693379 /nfs/dbraw/zinc/69/33/79/1375693379.db2.gz KFJSVSJGFNCJDT-RCCFBDPRSA-N 2 1 346.519 3.378 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133346744 1375935104 /nfs/dbraw/zinc/93/51/04/1375935104.db2.gz ONUZNEDQRQJOKQ-RBUKOAKNSA-N 2 1 339.568 3.371 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230287001 1375985012 /nfs/dbraw/zinc/98/50/12/1375985012.db2.gz VVQVKJMKEDQIMK-AQNXPRMDSA-N 2 1 343.515 3.273 20 30 EGEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001230611104 1376100641 /nfs/dbraw/zinc/10/06/41/1376100641.db2.gz LZIOIIGANJDSQY-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001230611104 1376100644 /nfs/dbraw/zinc/10/06/44/1376100644.db2.gz LZIOIIGANJDSQY-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCCCCC)CC1 ZINC001230611104 1376100646 /nfs/dbraw/zinc/10/06/46/1376100646.db2.gz LZIOIIGANJDSQY-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)COc1ccccc1C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001138663197 1377764299 /nfs/dbraw/zinc/76/42/99/1377764299.db2.gz QEUAAIKGSRXIGF-UHFFFAOYSA-N 2 1 345.531 3.101 20 30 EGEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cnc3cc[nH]cc1-3)C2 ZINC001140801594 1378140815 /nfs/dbraw/zinc/14/08/15/1378140815.db2.gz SUMGAUWWFPBHBT-PMACEKPBSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801594 1378140817 /nfs/dbraw/zinc/14/08/17/1378140817.db2.gz SUMGAUWWFPBHBT-PMACEKPBSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1c[nH]c3cc[nH+]cc13)C2 ZINC001140801594 1378140819 /nfs/dbraw/zinc/14/08/19/1378140819.db2.gz SUMGAUWWFPBHBT-PMACEKPBSA-N 2 1 341.455 3.137 20 30 EGEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001147457320 1379025288 /nfs/dbraw/zinc/02/52/88/1379025288.db2.gz DYYYWTWTADMANG-IBGZPJMESA-N 2 1 331.504 3.132 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001147552645 1379041527 /nfs/dbraw/zinc/04/15/27/1379041527.db2.gz NWALBWQFVMIRRG-GOSISDBHSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001148839958 1379280684 /nfs/dbraw/zinc/28/06/84/1379280684.db2.gz WCCXYECNKAFEEI-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001148839958 1379280689 /nfs/dbraw/zinc/28/06/89/1379280689.db2.gz WCCXYECNKAFEEI-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1 ZINC001148839958 1379280692 /nfs/dbraw/zinc/28/06/92/1379280692.db2.gz WCCXYECNKAFEEI-IBGZPJMESA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132461 1380783308 /nfs/dbraw/zinc/78/33/08/1380783308.db2.gz ICXUTEOVHZQBHK-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157132461 1380783311 /nfs/dbraw/zinc/78/33/11/1380783311.db2.gz ICXUTEOVHZQBHK-IEBWSBKVSA-N 2 1 331.504 3.082 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157951398 1381079940 /nfs/dbraw/zinc/07/99/40/1381079940.db2.gz XUUJOLJHYGYBJC-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951398 1381079945 /nfs/dbraw/zinc/07/99/45/1381079945.db2.gz XUUJOLJHYGYBJC-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157951398 1381079951 /nfs/dbraw/zinc/07/99/51/1381079951.db2.gz XUUJOLJHYGYBJC-RTBURBONSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001158354260 1381214517 /nfs/dbraw/zinc/21/45/17/1381214517.db2.gz GJZRGQJSADUTBO-KRWDZBQOSA-N 2 1 334.508 3.239 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133899 1382313565 /nfs/dbraw/zinc/31/35/65/1382313565.db2.gz SRBKSNFTPLRHOS-IEBWSBKVSA-N 2 1 335.536 3.066 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220083 1382347123 /nfs/dbraw/zinc/34/71/23/1382347123.db2.gz SWJFHJLPGNELTN-GOSISDBHSA-N 2 1 347.547 3.211 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001161383204 1382391920 /nfs/dbraw/zinc/39/19/20/1382391920.db2.gz MBZKTVADKZZTIU-LJQANCHMSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001161497103 1382423661 /nfs/dbraw/zinc/42/36/61/1382423661.db2.gz SGQDDSCNVDDNDY-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161497103 1382423666 /nfs/dbraw/zinc/42/36/66/1382423666.db2.gz SGQDDSCNVDDNDY-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCCCCC)CC1 ZINC001161497103 1382423670 /nfs/dbraw/zinc/42/36/70/1382423670.db2.gz SGQDDSCNVDDNDY-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001161678189 1382477733 /nfs/dbraw/zinc/47/77/33/1382477733.db2.gz BEDJIGYGQJLQTF-UHFFFAOYSA-N 2 1 335.536 3.213 20 30 EGEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](C)CCC[NH+](CC)CC ZINC001167828041 1383751233 /nfs/dbraw/zinc/75/12/33/1383751233.db2.gz VNAALSRXIGLDKN-HKUYNNGSSA-N 2 1 348.535 3.032 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001170878032 1384403458 /nfs/dbraw/zinc/40/34/58/1384403458.db2.gz JWULFSHQVAHGOD-IRXDYDNUSA-N 2 1 334.508 3.237 20 30 EGEDMP COC1CC[NH+](C2CC[NH+]([C@@H](C)Cc3cccc(C#N)c3)CC2)CC1 ZINC001171232708 1384475484 /nfs/dbraw/zinc/47/54/84/1384475484.db2.gz VLSWJDLVZAYPME-KRWDZBQOSA-N 2 1 341.499 3.064 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001171245708 1384476941 /nfs/dbraw/zinc/47/69/41/1384476941.db2.gz BDUVYOKYTJYSBE-RTBURBONSA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171822635 1384651579 /nfs/dbraw/zinc/65/15/79/1384651579.db2.gz ZCRFQMZFWKLNEP-QGZVFWFLSA-N 2 1 334.508 3.203 20 30 EGEDMP C=CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984569 1384703636 /nfs/dbraw/zinc/70/36/36/1384703636.db2.gz NBJMOKTYVYARSQ-HXUWFJFHSA-N 2 1 327.516 3.233 20 30 EGEDMP C=CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171984569 1384703640 /nfs/dbraw/zinc/70/36/40/1384703640.db2.gz NBJMOKTYVYARSQ-HXUWFJFHSA-N 2 1 327.516 3.233 20 30 EGEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001177339584 1385919904 /nfs/dbraw/zinc/91/99/04/1385919904.db2.gz LHAXTRVWHSQPSY-FQEVSTJZSA-N 2 1 349.563 3.149 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177478099 1385972232 /nfs/dbraw/zinc/97/22/32/1385972232.db2.gz RXZVGYOITLKOIZ-UYAOXDASSA-N 2 1 349.563 3.291 20 30 EGEDMP CCCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899309 1386894191 /nfs/dbraw/zinc/89/41/91/1386894191.db2.gz KTUVEKYOJXQLKD-QWFCFKBJSA-N 2 1 337.552 3.125 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001752708144 1440203146 /nfs/dbraw/zinc/20/31/46/1440203146.db2.gz RLJSTHWEOCLSNK-WOJBJXKFSA-N 2 1 349.563 3.366 20 30 EGEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752993451 1440260617 /nfs/dbraw/zinc/26/06/17/1440260617.db2.gz HBLQWOHLPILWKR-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752993451 1440260618 /nfs/dbraw/zinc/26/06/18/1440260618.db2.gz HBLQWOHLPILWKR-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752993451 1440260619 /nfs/dbraw/zinc/26/06/19/1440260619.db2.gz HBLQWOHLPILWKR-SFHVURJKSA-N 2 1 335.536 3.138 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001754567680 1440636171 /nfs/dbraw/zinc/63/61/71/1440636171.db2.gz RJMGAUQAKJCYDB-CTNGQTDRSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001754567680 1440636172 /nfs/dbraw/zinc/63/61/72/1440636172.db2.gz RJMGAUQAKJCYDB-CTNGQTDRSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001754567680 1440636173 /nfs/dbraw/zinc/63/61/73/1440636173.db2.gz RJMGAUQAKJCYDB-CTNGQTDRSA-N 2 1 349.563 3.223 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001755046404 1440741369 /nfs/dbraw/zinc/74/13/69/1440741369.db2.gz BTNSEOXHYXJYGS-VQTJNVASSA-N 2 1 349.563 3.245 20 30 EGEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001755136297 1440758375 /nfs/dbraw/zinc/75/83/75/1440758375.db2.gz SZKMEXVAAORXJI-IBGZPJMESA-N 2 1 343.515 3.226 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001755138298 1440759230 /nfs/dbraw/zinc/75/92/30/1440759230.db2.gz KAYBDWJRQKGSHA-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138298 1440759231 /nfs/dbraw/zinc/75/92/31/1440759231.db2.gz KAYBDWJRQKGSHA-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001755138298 1440759232 /nfs/dbraw/zinc/75/92/32/1440759232.db2.gz KAYBDWJRQKGSHA-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001755144257 1440762613 /nfs/dbraw/zinc/76/26/13/1440762613.db2.gz YQUYXYBFBYSSLX-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001755175950 1440770804 /nfs/dbraw/zinc/77/08/04/1440770804.db2.gz NVWRDDNVVLSGFQ-LJQANCHMSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001755200935 1440779633 /nfs/dbraw/zinc/77/96/33/1440779633.db2.gz MDANGWDJNRUZNT-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001755200935 1440779634 /nfs/dbraw/zinc/77/96/34/1440779634.db2.gz MDANGWDJNRUZNT-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001755200935 1440779635 /nfs/dbraw/zinc/77/96/35/1440779635.db2.gz MDANGWDJNRUZNT-WOJBJXKFSA-N 2 1 343.515 3.178 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001755412638 1440846958 /nfs/dbraw/zinc/84/69/58/1440846958.db2.gz OYTWZXMTXJMPPH-GOSISDBHSA-N 2 1 349.563 3.412 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001755560062 1440874306 /nfs/dbraw/zinc/87/43/06/1440874306.db2.gz OXBHQTHLBQFINB-VQTJNVASSA-N 2 1 347.547 3.186 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000268669627 252120802 /nfs/dbraw/zinc/12/08/02/252120802.db2.gz KARWKGCEXTUZMH-CTNGQTDRSA-N 2 1 341.499 3.036 20 30 EGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000268669627 252120806 /nfs/dbraw/zinc/12/08/06/252120806.db2.gz KARWKGCEXTUZMH-CTNGQTDRSA-N 2 1 341.499 3.036 20 30 EGEDMP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705027 267181458 /nfs/dbraw/zinc/18/14/58/267181458.db2.gz XCDUSJDHLRJIGJ-WMZOPIPTSA-N 2 1 327.472 3.180 20 30 EGEDMP N#Cc1csc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000177696059 323344257 /nfs/dbraw/zinc/34/42/57/323344257.db2.gz QVYDMCOCEMTLEQ-KRWDZBQOSA-N 2 1 325.481 3.274 20 30 EGEDMP N#Cc1csc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000177696059 323344263 /nfs/dbraw/zinc/34/42/63/323344263.db2.gz QVYDMCOCEMTLEQ-KRWDZBQOSA-N 2 1 325.481 3.274 20 30 EGEDMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000090003634 454261158 /nfs/dbraw/zinc/26/11/58/454261158.db2.gz LXABKEJTNMFNMV-KRWDZBQOSA-N 2 1 327.859 3.380 20 30 EGEDMP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000090003634 454261161 /nfs/dbraw/zinc/26/11/61/454261161.db2.gz LXABKEJTNMFNMV-KRWDZBQOSA-N 2 1 327.859 3.380 20 30 EGEDMP C=CCc1cc(C[N@@H+](C)C2CC[NH+](CCC)CC2)cc(OC)c1O ZINC000092165496 454531297 /nfs/dbraw/zinc/53/12/97/454531297.db2.gz OIRBUSFQUJLPSR-UHFFFAOYSA-N 2 1 332.488 3.436 20 30 EGEDMP C=CCc1cc(C[N@H+](C)C2CC[NH+](CCC)CC2)cc(OC)c1O ZINC000092165496 454531300 /nfs/dbraw/zinc/53/13/00/454531300.db2.gz OIRBUSFQUJLPSR-UHFFFAOYSA-N 2 1 332.488 3.436 20 30 EGEDMP COc1ccc(NC(=[NH2+])NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000104170040 454576155 /nfs/dbraw/zinc/57/61/55/454576155.db2.gz SQCQDZMCCDOKFX-IYBDPMFKSA-N 2 1 332.492 3.180 20 30 EGEDMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCCCC#N ZINC000093089243 454680381 /nfs/dbraw/zinc/68/03/81/454680381.db2.gz MOQUUEJRXZFJRH-UHFFFAOYSA-N 2 1 345.487 3.151 20 30 EGEDMP C=C(C)COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623655944 460662790 /nfs/dbraw/zinc/66/27/90/460662790.db2.gz JHLSFUQBLGXBFF-SFHVURJKSA-N 2 1 332.488 3.472 20 30 EGEDMP COc1ccc(C#N)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185743619 455612611 /nfs/dbraw/zinc/61/26/11/455612611.db2.gz QBVXVRJIYUWIIU-WBVHZDCISA-N 2 1 327.472 3.309 20 30 EGEDMP COc1ccc(C#N)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743619 455612614 /nfs/dbraw/zinc/61/26/14/455612614.db2.gz QBVXVRJIYUWIIU-WBVHZDCISA-N 2 1 327.472 3.309 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248580269 455721206 /nfs/dbraw/zinc/72/12/06/455721206.db2.gz OLTKIPFZMCBMMH-BZSNNMDCSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248580269 455721208 /nfs/dbraw/zinc/72/12/08/455721208.db2.gz OLTKIPFZMCBMMH-BZSNNMDCSA-N 2 1 335.536 3.042 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000186316136 455740982 /nfs/dbraw/zinc/74/09/82/455740982.db2.gz ODANCMFMOYAUQV-UHFFFAOYSA-N 2 1 343.515 3.437 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273308386 456222352 /nfs/dbraw/zinc/22/23/52/456222352.db2.gz TUBJUSGKHQHIQZ-AEFFLSMTSA-N 2 1 327.472 3.332 20 30 EGEDMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCCCC#N ZINC000290525665 456352968 /nfs/dbraw/zinc/35/29/68/456352968.db2.gz QHXJEBAJYIJKRI-FUHWJXTLSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCCCC#N ZINC000290525665 456352972 /nfs/dbraw/zinc/35/29/72/456352972.db2.gz QHXJEBAJYIJKRI-FUHWJXTLSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OCCCC#N ZINC000290525665 456352977 /nfs/dbraw/zinc/35/29/77/456352977.db2.gz QHXJEBAJYIJKRI-FUHWJXTLSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCCCC#N ZINC000290525665 456352983 /nfs/dbraw/zinc/35/29/83/456352983.db2.gz QHXJEBAJYIJKRI-FUHWJXTLSA-N 2 1 345.487 3.150 20 30 EGEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000340920475 456761953 /nfs/dbraw/zinc/76/19/53/456761953.db2.gz PTOOEWLVRMJRIL-UHFFFAOYSA-N 2 1 333.451 3.020 20 30 EGEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCCCC#N ZINC000360094900 457252568 /nfs/dbraw/zinc/25/25/68/457252568.db2.gz ASWCIRVGYQMDDK-QZTJIDSGSA-N 2 1 343.471 3.094 20 30 EGEDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCCCC#N ZINC000360094900 457252573 /nfs/dbraw/zinc/25/25/73/457252573.db2.gz ASWCIRVGYQMDDK-QZTJIDSGSA-N 2 1 343.471 3.094 20 30 EGEDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCCCC#N ZINC000360094902 457252997 /nfs/dbraw/zinc/25/29/97/457252997.db2.gz ASWCIRVGYQMDDK-ZWKOTPCHSA-N 2 1 343.471 3.094 20 30 EGEDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCCCC#N ZINC000360094902 457253004 /nfs/dbraw/zinc/25/30/04/457253004.db2.gz ASWCIRVGYQMDDK-ZWKOTPCHSA-N 2 1 343.471 3.094 20 30 EGEDMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCCO1 ZINC000360868670 457394293 /nfs/dbraw/zinc/39/42/93/457394293.db2.gz AFMKSWHIABQMRX-DYESRHJHSA-N 2 1 341.499 3.416 20 30 EGEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC[N@@H+]1C ZINC000358143359 457813154 /nfs/dbraw/zinc/81/31/54/457813154.db2.gz SVRCJVQESMFKCI-BARLLCKDSA-N 2 1 327.472 3.321 20 30 EGEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)CC[N@H+]1C ZINC000358143359 457813158 /nfs/dbraw/zinc/81/31/58/457813158.db2.gz SVRCJVQESMFKCI-BARLLCKDSA-N 2 1 327.472 3.321 20 30 EGEDMP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369701811 458319194 /nfs/dbraw/zinc/31/91/94/458319194.db2.gz GHLWSFZQHNAGCR-KRWDZBQOSA-N 2 1 327.472 3.285 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000531975320 459011587 /nfs/dbraw/zinc/01/15/87/459011587.db2.gz RSLRKUIQIJCKKY-HNNXBMFYSA-N 2 1 327.472 3.262 20 30 EGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000486789867 459521159 /nfs/dbraw/zinc/52/11/59/459521159.db2.gz DDZKHTIYFCTGTH-LJQANCHMSA-N 2 1 343.515 3.420 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488003356 459536689 /nfs/dbraw/zinc/53/66/89/459536689.db2.gz RROUBVCWPKUMPA-PXNSSMCTSA-N 2 1 329.488 3.093 20 30 EGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612858 459963330 /nfs/dbraw/zinc/96/33/30/459963330.db2.gz CFYMXXOGVXPGTP-IAGOWNOFSA-N 2 1 349.544 3.111 20 30 EGEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612858 459963336 /nfs/dbraw/zinc/96/33/36/459963336.db2.gz CFYMXXOGVXPGTP-IAGOWNOFSA-N 2 1 349.544 3.111 20 30 EGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)CC(C)(C)C#N)C2)s1 ZINC000598612858 459963343 /nfs/dbraw/zinc/96/33/43/459963343.db2.gz CFYMXXOGVXPGTP-IAGOWNOFSA-N 2 1 349.544 3.111 20 30 EGEDMP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000602851109 460157081 /nfs/dbraw/zinc/15/70/81/460157081.db2.gz ZHSPFLYAXLXYQQ-UHFFFAOYSA-N 2 1 326.831 3.319 20 30 EGEDMP C=CCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCCC2)cc1OC ZINC000623343385 460499462 /nfs/dbraw/zinc/49/94/62/460499462.db2.gz PSVNULQSCXIZJG-UHFFFAOYSA-N 2 1 338.879 3.489 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000187271171 526603785 /nfs/dbraw/zinc/60/37/85/526603785.db2.gz OVVVGRHDXVEIBA-UHFFFAOYSA-N 2 1 330.472 3.462 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000730020190 574905159 /nfs/dbraw/zinc/90/51/59/574905159.db2.gz ZYBSSYZJWJTLFB-KRWDZBQOSA-N 2 1 337.508 3.016 20 30 EGEDMP C#CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683672 1292928086 /nfs/dbraw/zinc/92/80/86/1292928086.db2.gz OZQALLLXBXBJHU-HXUWFJFHSA-N 2 1 326.484 3.397 20 30 EGEDMP C#CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683672 1292928092 /nfs/dbraw/zinc/92/80/92/1292928092.db2.gz OZQALLLXBXBJHU-HXUWFJFHSA-N 2 1 326.484 3.397 20 30 EGEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160659272 1294274316 /nfs/dbraw/zinc/27/43/16/1294274316.db2.gz YYEIWMIJHJEJDI-LBPRGKRZSA-N 2 1 344.381 3.044 20 30 EGEDMP CC[C@H](C#N)Oc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1OC ZINC000180458071 1294891793 /nfs/dbraw/zinc/89/17/93/1294891793.db2.gz BKKHPBFRVKMBPP-GOSISDBHSA-N 2 1 345.487 3.339 20 30 EGEDMP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192925822 1295815218 /nfs/dbraw/zinc/81/52/18/1295815218.db2.gz XBZRSZNJIXVHLR-OAQYLSRUSA-N 2 1 334.463 3.310 20 30 EGEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1ccc2c(c1)CCC2 ZINC000195290964 1296054432 /nfs/dbraw/zinc/05/44/32/1296054432.db2.gz ZZLQUPWNSRVEKQ-SFHVURJKSA-N 2 1 348.494 3.424 20 30 EGEDMP C=CCc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000246257616 1296344182 /nfs/dbraw/zinc/34/41/82/1296344182.db2.gz GYXJSECJEFNLHI-WMZOPIPTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000246257616 1296344194 /nfs/dbraw/zinc/34/41/94/1296344194.db2.gz GYXJSECJEFNLHI-WMZOPIPTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(O)c(OC)c1 ZINC000246257616 1296344206 /nfs/dbraw/zinc/34/42/06/1296344206.db2.gz GYXJSECJEFNLHI-WMZOPIPTSA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1O ZINC000246980779 1296379245 /nfs/dbraw/zinc/37/92/45/1296379245.db2.gz JQIOASXFAZAKQR-PXNSSMCTSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000246980779 1296379261 /nfs/dbraw/zinc/37/92/61/1296379261.db2.gz JQIOASXFAZAKQR-PXNSSMCTSA-N 2 1 344.499 3.436 20 30 EGEDMP C=CCc1cc(OCC)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000246980779 1296379275 /nfs/dbraw/zinc/37/92/75/1296379275.db2.gz JQIOASXFAZAKQR-PXNSSMCTSA-N 2 1 344.499 3.436 20 30 EGEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1cc(F)ccc1F ZINC000262312713 1296625297 /nfs/dbraw/zinc/62/52/97/1296625297.db2.gz SXFYVROUHLMFNH-HNNXBMFYSA-N 2 1 336.430 3.489 20 30 EGEDMP CCNC(NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)=[NH+]CC ZINC000303377226 1296830554 /nfs/dbraw/zinc/83/05/54/1296830554.db2.gz OXXLJIVQSCBMNB-CALCHBBNSA-N 2 1 330.520 3.240 20 30 EGEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCC(C)C)c1cccc(OC)c1 ZINC000303768604 1296849428 /nfs/dbraw/zinc/84/94/28/1296849428.db2.gz ALEHPZOQRDQALY-SFHVURJKSA-N 2 1 334.508 3.029 20 30 EGEDMP CC(C)c1cccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303776688 1296853526 /nfs/dbraw/zinc/85/35/26/1296853526.db2.gz HZOWOLDUWOHAJY-IYBDPMFKSA-N 2 1 332.492 3.036 20 30 EGEDMP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303891287 1296870074 /nfs/dbraw/zinc/87/00/74/1296870074.db2.gz MYXKNDBMFQXSLS-HOTGVXAUSA-N 2 1 332.492 3.463 20 30 EGEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1Cl ZINC000305038088 1296954786 /nfs/dbraw/zinc/95/47/86/1296954786.db2.gz UFARJPSGRLISNN-ZDUSSCGKSA-N 2 1 338.883 3.053 20 30 EGEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1OC ZINC000772954821 1303598268 /nfs/dbraw/zinc/59/82/68/1303598268.db2.gz PIYJRTINJWFYSB-ROUUACIJSA-N 2 1 330.472 3.149 20 30 EGEDMP C=CCc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1OC ZINC000772954821 1303598274 /nfs/dbraw/zinc/59/82/74/1303598274.db2.gz PIYJRTINJWFYSB-ROUUACIJSA-N 2 1 330.472 3.149 20 30 EGEDMP CC(C)[N@H+]1CC[C@@H](C[NH+]=C(NCc2ccccc2)NC(C)(C)C)C1 ZINC000912499703 1318894413 /nfs/dbraw/zinc/89/44/13/1318894413.db2.gz YSOLYIMEBGWLSA-SFHVURJKSA-N 2 1 330.520 3.251 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001024819389 1323724588 /nfs/dbraw/zinc/72/45/88/1323724588.db2.gz OFQFZPANILUGPC-QGZVFWFLSA-N 2 1 347.503 3.282 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001025257647 1324065100 /nfs/dbraw/zinc/06/51/00/1324065100.db2.gz FMNXYNYZIBCPEB-RBUKOAKNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294355 1324124660 /nfs/dbraw/zinc/12/46/60/1324124660.db2.gz IYZGJMAWJUQCAU-MOPGFXCFSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025294355 1324124664 /nfs/dbraw/zinc/12/46/64/1324124664.db2.gz IYZGJMAWJUQCAU-MOPGFXCFSA-N 2 1 344.503 3.003 20 30 EGEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001027412024 1327639597 /nfs/dbraw/zinc/63/95/97/1327639597.db2.gz VSSURFPFHRXNJJ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001027412024 1327639607 /nfs/dbraw/zinc/63/96/07/1327639607.db2.gz VSSURFPFHRXNJJ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001027412024 1327639612 /nfs/dbraw/zinc/63/96/12/1327639612.db2.gz VSSURFPFHRXNJJ-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945031332 1332481937 /nfs/dbraw/zinc/48/19/37/1332481937.db2.gz ZVKAMCITCVZWSK-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000948705507 1333641067 /nfs/dbraw/zinc/64/10/67/1333641067.db2.gz IBDWOIBELGQNMB-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000948705507 1333641069 /nfs/dbraw/zinc/64/10/69/1333641069.db2.gz IBDWOIBELGQNMB-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000948705507 1333641070 /nfs/dbraw/zinc/64/10/70/1333641070.db2.gz IBDWOIBELGQNMB-ICSRJNTNSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000950331494 1334043667 /nfs/dbraw/zinc/04/36/67/1334043667.db2.gz PTHVCBOWBXUBOY-SFHVURJKSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCCC1)CC2 ZINC001035184942 1342998984 /nfs/dbraw/zinc/99/89/84/1342998984.db2.gz QKWFZLOITZQWGE-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001039309286 1345007324 /nfs/dbraw/zinc/00/73/24/1345007324.db2.gz VDVJWMMRFYIKFN-NXEWRWPSSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040725751 1345571477 /nfs/dbraw/zinc/57/14/77/1345571477.db2.gz GEJLFJBCFYAOHZ-IBGZPJMESA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531746 1346619754 /nfs/dbraw/zinc/61/97/54/1346619754.db2.gz QLLOHDGNHLLDCK-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001049664477 1347963634 /nfs/dbraw/zinc/96/36/34/1347963634.db2.gz QLEMOFGWESTVGS-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001049664477 1347963635 /nfs/dbraw/zinc/96/36/35/1347963635.db2.gz QLEMOFGWESTVGS-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001049664477 1347963638 /nfs/dbraw/zinc/96/36/38/1347963638.db2.gz QLEMOFGWESTVGS-AQNXPRMDSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049765849 1348009187 /nfs/dbraw/zinc/00/91/87/1348009187.db2.gz IGUPLQHGABPSAG-ZCNNSNEGSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049765849 1348009189 /nfs/dbraw/zinc/00/91/89/1348009189.db2.gz IGUPLQHGABPSAG-ZCNNSNEGSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049765849 1348009193 /nfs/dbraw/zinc/00/91/93/1348009193.db2.gz IGUPLQHGABPSAG-ZCNNSNEGSA-N 2 1 347.547 3.281 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001049786065 1348021129 /nfs/dbraw/zinc/02/11/29/1348021129.db2.gz ACDKEONXXJMBFQ-UXHICEINSA-N 2 1 341.499 3.003 20 30 EGEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)CC1 ZINC001050727712 1348339670 /nfs/dbraw/zinc/33/96/70/1348339670.db2.gz KEYRRXVUHZLCDO-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052652119 1348614104 /nfs/dbraw/zinc/61/41/04/1348614104.db2.gz SYPOTWYCMDNCIY-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052652119 1348614107 /nfs/dbraw/zinc/61/41/07/1348614107.db2.gz SYPOTWYCMDNCIY-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052652119 1348614110 /nfs/dbraw/zinc/61/41/10/1348614110.db2.gz SYPOTWYCMDNCIY-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054245649 1349239764 /nfs/dbraw/zinc/23/97/64/1349239764.db2.gz XMNAAWVRBYIFGV-OAQYLSRUSA-N 2 1 347.547 3.143 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)CC[C@@H]1C ZINC001072110069 1355136678 /nfs/dbraw/zinc/13/66/78/1355136678.db2.gz RXRAIPGJHMJBKR-IRXDYDNUSA-N 2 1 347.503 3.280 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001085781901 1358756894 /nfs/dbraw/zinc/75/68/94/1358756894.db2.gz HWILRNMKRXXKRD-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001085781901 1358756896 /nfs/dbraw/zinc/75/68/96/1358756896.db2.gz HWILRNMKRXXKRD-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001085781901 1358756898 /nfs/dbraw/zinc/75/68/98/1358756898.db2.gz HWILRNMKRXXKRD-UXHICEINSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089407401 1360405999 /nfs/dbraw/zinc/40/59/99/1360405999.db2.gz ZCKJDIMAASZIGV-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407401 1360406000 /nfs/dbraw/zinc/40/60/00/1360406000.db2.gz ZCKJDIMAASZIGV-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089407401 1360406002 /nfs/dbraw/zinc/40/60/02/1360406002.db2.gz ZCKJDIMAASZIGV-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC(C)(C)C1 ZINC001089518453 1360487342 /nfs/dbraw/zinc/48/73/42/1360487342.db2.gz FOESOWRRVKCNPP-IBGZPJMESA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001184891407 1387556271 /nfs/dbraw/zinc/55/62/71/1387556271.db2.gz FYUUSDZYSUFAGS-OALUTQOASA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](CC)CC)o1)C2 ZINC001098483060 1363339274 /nfs/dbraw/zinc/33/92/74/1363339274.db2.gz NDRAZOXDRSNVTO-NXHRZFHOSA-N 2 1 345.487 3.033 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001099069891 1363606862 /nfs/dbraw/zinc/60/68/62/1363606862.db2.gz OEIIPNGWZHXLOB-SFHVURJKSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001099350230 1363767043 /nfs/dbraw/zinc/76/70/43/1363767043.db2.gz YEVJEBHUTXAYFL-RBUKOAKNSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100535916 1364150623 /nfs/dbraw/zinc/15/06/23/1364150623.db2.gz ATLYDLQRQIOXMF-LMDPOFIKSA-N 2 1 349.563 3.480 20 30 EGEDMP CCCCCCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001100606638 1364187144 /nfs/dbraw/zinc/18/71/44/1364187144.db2.gz PJMZXVJMAFGICA-BMHOQUIDSA-N 2 1 337.552 3.172 20 30 EGEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001100681539 1364216613 /nfs/dbraw/zinc/21/66/13/1364216613.db2.gz MRKRCBYXTIIALN-UHFFFAOYSA-N 2 1 337.552 3.195 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364421 1364528759 /nfs/dbraw/zinc/52/87/59/1364528759.db2.gz SUUXQFHOZJHCAI-ZVDOUQERSA-N 2 1 349.563 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364421 1364528762 /nfs/dbraw/zinc/52/87/62/1364528762.db2.gz SUUXQFHOZJHCAI-ZVDOUQERSA-N 2 1 349.563 3.079 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001101364421 1364528766 /nfs/dbraw/zinc/52/87/66/1364528766.db2.gz SUUXQFHOZJHCAI-ZVDOUQERSA-N 2 1 349.563 3.079 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001101551617 1364614477 /nfs/dbraw/zinc/61/44/77/1364614477.db2.gz SVKONLKMROZJIT-UHFFFAOYSA-N 2 1 337.552 3.147 20 30 EGEDMP C=C(C)CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001101551731 1364614681 /nfs/dbraw/zinc/61/46/81/1364614681.db2.gz ZJBFHTMEAQOMOU-LJQANCHMSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001101574996 1364628855 /nfs/dbraw/zinc/62/88/55/1364628855.db2.gz OTLWBLHKMLJVRK-UHFFFAOYSA-N 2 1 349.563 3.149 20 30 EGEDMP CCCCCCC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001185447330 1387719499 /nfs/dbraw/zinc/71/94/99/1387719499.db2.gz ROLQGXITWYLGGJ-RBUKOAKNSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599009 1365131180 /nfs/dbraw/zinc/13/11/80/1365131180.db2.gz KMSCVRHVBLOLOQ-WOJBJXKFSA-N 2 1 349.563 3.293 20 30 EGEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001103085354 1365373203 /nfs/dbraw/zinc/37/32/03/1365373203.db2.gz RNAAIRMFOFGYJN-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001103085354 1365373208 /nfs/dbraw/zinc/37/32/08/1365373208.db2.gz RNAAIRMFOFGYJN-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001103085354 1365373211 /nfs/dbraw/zinc/37/32/11/1365373211.db2.gz RNAAIRMFOFGYJN-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001103537190 1365619846 /nfs/dbraw/zinc/61/98/46/1365619846.db2.gz YDJRJRQHBKSTLG-YLJYHZDGSA-N 2 1 343.515 3.012 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103600063 1365665678 /nfs/dbraw/zinc/66/56/78/1365665678.db2.gz PFXDQOAOYDNMJJ-UYAOXDASSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104378969 1365995081 /nfs/dbraw/zinc/99/50/81/1365995081.db2.gz POJASIHBKBCOJN-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001105556552 1366529134 /nfs/dbraw/zinc/52/91/34/1366529134.db2.gz JRPSDNFFIUDLNU-GBESFXJTSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH2+]CC1([C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)CCC1 ZINC001105578514 1366542234 /nfs/dbraw/zinc/54/22/34/1366542234.db2.gz BUYSXBAIVBXBQY-IBGZPJMESA-N 2 1 349.563 3.434 20 30 EGEDMP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1ccc(C#N)cc1 ZINC001324924227 1387826051 /nfs/dbraw/zinc/82/60/51/1387826051.db2.gz MQTKCIQGUTYBQR-SFHVURJKSA-N 2 1 348.494 3.156 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552889 1367039734 /nfs/dbraw/zinc/03/97/34/1367039734.db2.gz WFRCKOHUSAZBRX-WIYYLYMNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552889 1367039740 /nfs/dbraw/zinc/03/97/40/1367039740.db2.gz WFRCKOHUSAZBRX-WIYYLYMNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552889 1367039747 /nfs/dbraw/zinc/03/97/47/1367039747.db2.gz WFRCKOHUSAZBRX-WIYYLYMNSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307884 1367047748 /nfs/dbraw/zinc/04/77/48/1367047748.db2.gz GJQJXCARGFJRGA-BDXSIMOUSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307884 1367047753 /nfs/dbraw/zinc/04/77/53/1367047753.db2.gz GJQJXCARGFJRGA-BDXSIMOUSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643578 1367089794 /nfs/dbraw/zinc/08/97/94/1367089794.db2.gz OADCPIZXTPHDTQ-TZIWHRDSSA-N 2 1 347.547 3.189 20 30 EGEDMP CCCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654825 1367318214 /nfs/dbraw/zinc/31/82/14/1367318214.db2.gz LYBYLKVKUGOZJH-ROUUACIJSA-N 2 1 346.519 3.264 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654825 1367318219 /nfs/dbraw/zinc/31/82/19/1367318219.db2.gz LYBYLKVKUGOZJH-ROUUACIJSA-N 2 1 346.519 3.264 20 30 EGEDMP CCCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654824 1367318239 /nfs/dbraw/zinc/31/82/39/1367318239.db2.gz LYBYLKVKUGOZJH-QZTJIDSGSA-N 2 1 346.519 3.264 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654824 1367318244 /nfs/dbraw/zinc/31/82/44/1367318244.db2.gz LYBYLKVKUGOZJH-QZTJIDSGSA-N 2 1 346.519 3.264 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001109957847 1367426391 /nfs/dbraw/zinc/42/63/91/1367426391.db2.gz SIYARZYVBAWWNG-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001109957847 1367426394 /nfs/dbraw/zinc/42/63/94/1367426394.db2.gz SIYARZYVBAWWNG-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001109957847 1367426398 /nfs/dbraw/zinc/42/63/98/1367426398.db2.gz SIYARZYVBAWWNG-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001109957848 1367426653 /nfs/dbraw/zinc/42/66/53/1367426653.db2.gz SIYARZYVBAWWNG-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001109957848 1367426654 /nfs/dbraw/zinc/42/66/54/1367426654.db2.gz SIYARZYVBAWWNG-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001109957848 1367426657 /nfs/dbraw/zinc/42/66/57/1367426657.db2.gz SIYARZYVBAWWNG-FYQPLNBISA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001109969786 1367435837 /nfs/dbraw/zinc/43/58/37/1367435837.db2.gz ZLQDCTXHKUMFOF-QYZOEREBSA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001191351871 1367482381 /nfs/dbraw/zinc/48/23/81/1367482381.db2.gz NKUZIDHPRKHODL-IBGZPJMESA-N 2 1 340.471 3.227 20 30 EGEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001108715375 1367552287 /nfs/dbraw/zinc/55/22/87/1367552287.db2.gz ZSUPOEYAJGELED-SCTDSRPQSA-N 2 1 347.547 3.185 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108726194 1367560182 /nfs/dbraw/zinc/56/01/82/1367560182.db2.gz UHJXSMJTHUPFNE-FHWLQOOXSA-N 2 1 346.519 3.131 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108830718 1367624744 /nfs/dbraw/zinc/62/47/44/1367624744.db2.gz VJOGABFMRAHCIL-FHWLQOOXSA-N 2 1 337.552 3.266 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989497 1367658410 /nfs/dbraw/zinc/65/84/10/1367658410.db2.gz XSEXRNNDTJQZAP-GOSISDBHSA-N 2 1 347.503 3.234 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192196236 1367712751 /nfs/dbraw/zinc/71/27/51/1367712751.db2.gz HYCKLYFJKASTRE-QZTJIDSGSA-N 2 1 325.541 3.076 20 30 EGEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](CCC)CCC)C2 ZINC001111268878 1368235813 /nfs/dbraw/zinc/23/58/13/1368235813.db2.gz GJIJKDQJONVROL-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194420590 1368258029 /nfs/dbraw/zinc/25/80/29/1368258029.db2.gz SYYGXJPMMLMERY-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298913 1368258492 /nfs/dbraw/zinc/25/84/92/1368258492.db2.gz XLZAYJQJDCLFQR-QRVBRYPASA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001196388069 1368603773 /nfs/dbraw/zinc/60/37/73/1368603773.db2.gz ASOYPYJFJMGPBD-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388069 1368603778 /nfs/dbraw/zinc/60/37/78/1368603778.db2.gz ASOYPYJFJMGPBD-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001196388069 1368603781 /nfs/dbraw/zinc/60/37/81/1368603781.db2.gz ASOYPYJFJMGPBD-HXUWFJFHSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001186606000 1387985644 /nfs/dbraw/zinc/98/56/44/1387985644.db2.gz YOIUUWLFFJOLCE-LJQANCHMSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186606000 1387985647 /nfs/dbraw/zinc/98/56/47/1387985647.db2.gz YOIUUWLFFJOLCE-LJQANCHMSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)CC1 ZINC001186606000 1387985651 /nfs/dbraw/zinc/98/56/51/1387985651.db2.gz YOIUUWLFFJOLCE-LJQANCHMSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001113252431 1369293277 /nfs/dbraw/zinc/29/32/77/1369293277.db2.gz OLGGTINXJCMAAD-UYAOXDASSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203035997 1369962951 /nfs/dbraw/zinc/96/29/51/1369962951.db2.gz IRPRBMUCNWWJPC-RBUKOAKNSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114990241 1370194747 /nfs/dbraw/zinc/19/47/47/1370194747.db2.gz ZRBWSGYIPRPDKD-NMLBUPMWSA-N 2 1 349.563 3.146 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203911139 1370311675 /nfs/dbraw/zinc/31/16/75/1370311675.db2.gz UGTCUFLHQZXKAU-XLIONFOSSA-N 2 1 343.515 3.225 20 30 EGEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCCC1 ZINC001115563120 1370563241 /nfs/dbraw/zinc/56/32/41/1370563241.db2.gz QDPWGPXPJZXWKK-INIZCTEOSA-N 2 1 341.927 3.022 20 30 EGEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCCC1 ZINC001115689801 1370671809 /nfs/dbraw/zinc/67/18/09/1370671809.db2.gz TUCWUWKVTCRJLL-IBGZPJMESA-N 2 1 347.547 3.378 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001205469729 1370765165 /nfs/dbraw/zinc/76/51/65/1370765165.db2.gz VLCNJMZQXVGUKN-UHFFFAOYSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232575 1371336957 /nfs/dbraw/zinc/33/69/57/1371336957.db2.gz XEGQSSAUXYBKFJ-HLLBOEOZSA-N 2 1 349.544 3.215 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001207232575 1371336961 /nfs/dbraw/zinc/33/69/61/1371336961.db2.gz XEGQSSAUXYBKFJ-HLLBOEOZSA-N 2 1 349.544 3.215 20 30 EGEDMP CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001207547150 1371431998 /nfs/dbraw/zinc/43/19/98/1371431998.db2.gz MWECRZDOQQQTQX-KZNAEPCWSA-N 2 1 346.519 3.167 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001207547150 1371432001 /nfs/dbraw/zinc/43/20/01/1371432001.db2.gz MWECRZDOQQQTQX-KZNAEPCWSA-N 2 1 346.519 3.167 20 30 EGEDMP C=CCC[C@@H]1CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC001120733455 1371732563 /nfs/dbraw/zinc/73/25/63/1371732563.db2.gz ODDKTHPJPIAALP-HXUWFJFHSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121233291 1371902265 /nfs/dbraw/zinc/90/22/65/1371902265.db2.gz MMATVFFGPTWYCY-MBEFBZSESA-N 2 1 347.547 3.233 20 30 EGEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001121919613 1372122941 /nfs/dbraw/zinc/12/29/41/1372122941.db2.gz XGCAJBHAWOHHMK-UHFFFAOYSA-N 2 1 349.563 3.482 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122101566 1372174626 /nfs/dbraw/zinc/17/46/26/1372174626.db2.gz PILJQBOPYGJQOE-UHFFFAOYSA-N 2 1 349.563 3.482 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210642074 1372398075 /nfs/dbraw/zinc/39/80/75/1372398075.db2.gz AUCKYNYKRBFKIJ-PMACEKPBSA-N 2 1 343.515 3.226 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188361435 1388296852 /nfs/dbraw/zinc/29/68/52/1388296852.db2.gz LDLKLMPRKJAFBE-HXUWFJFHSA-N 2 1 345.531 3.279 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188361435 1388296856 /nfs/dbraw/zinc/29/68/56/1388296856.db2.gz LDLKLMPRKJAFBE-HXUWFJFHSA-N 2 1 345.531 3.279 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132203291 1375206529 /nfs/dbraw/zinc/20/65/29/1375206529.db2.gz NUCWWRMJYQZVGG-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132314736 1375291632 /nfs/dbraw/zinc/29/16/32/1375291632.db2.gz NFQHXISTYIHWJW-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001132314736 1375291635 /nfs/dbraw/zinc/29/16/35/1375291635.db2.gz NFQHXISTYIHWJW-MOPGFXCFSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCCCCC)CC[C@H]1C ZINC001132365374 1375330503 /nfs/dbraw/zinc/33/05/03/1375330503.db2.gz JNVJFZRHUNFRDG-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365374 1375330512 /nfs/dbraw/zinc/33/05/12/1375330512.db2.gz JNVJFZRHUNFRDG-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCCCCC)CC[C@H]1C ZINC001132365374 1375330519 /nfs/dbraw/zinc/33/05/19/1375330519.db2.gz JNVJFZRHUNFRDG-RTBURBONSA-N 2 1 337.552 3.434 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132518964 1375436757 /nfs/dbraw/zinc/43/67/57/1375436757.db2.gz QQTWNSMSHJISDI-MSOLQXFVSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132518964 1375436763 /nfs/dbraw/zinc/43/67/63/1375436763.db2.gz QQTWNSMSHJISDI-MSOLQXFVSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132518964 1375436765 /nfs/dbraw/zinc/43/67/65/1375436765.db2.gz QQTWNSMSHJISDI-MSOLQXFVSA-N 2 1 325.541 3.266 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132794835 1375568284 /nfs/dbraw/zinc/56/82/84/1375568284.db2.gz HMOOETHLCKIXDQ-LJQANCHMSA-N 2 1 337.552 3.460 20 30 EGEDMP C=C(Cl)C[NH+]1CCC(NC(=O)CCC[NH+](CCC)CCC)CC1 ZINC001229999601 1375928697 /nfs/dbraw/zinc/92/86/97/1375928697.db2.gz MHGZOHRFFJXNLB-UHFFFAOYSA-N 2 1 343.943 3.222 20 30 EGEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135076474 1376881716 /nfs/dbraw/zinc/88/17/16/1376881716.db2.gz BKOBMEVVTAJNFE-ROUUACIJSA-N 2 1 337.552 3.480 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC001137902546 1377641974 /nfs/dbraw/zinc/64/19/74/1377641974.db2.gz HYGDNHALDWOHCE-BGYRXZFFSA-N 2 1 346.478 3.320 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC001137902546 1377641975 /nfs/dbraw/zinc/64/19/75/1377641975.db2.gz HYGDNHALDWOHCE-BGYRXZFFSA-N 2 1 346.478 3.320 20 30 EGEDMP CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC001137902546 1377641977 /nfs/dbraw/zinc/64/19/77/1377641977.db2.gz HYGDNHALDWOHCE-BGYRXZFFSA-N 2 1 346.478 3.320 20 30 EGEDMP C=CCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccoc4)C3)CC2)cn1 ZINC001139771816 1377949083 /nfs/dbraw/zinc/94/90/83/1377949083.db2.gz QABYORHXXNORGZ-UHFFFAOYSA-N 2 1 340.471 3.150 20 30 EGEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147358325 1379008684 /nfs/dbraw/zinc/00/86/84/1379008684.db2.gz GELUTDFTPFBKGU-GOSISDBHSA-N 2 1 325.541 3.317 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154904263 1380374597 /nfs/dbraw/zinc/37/45/97/1380374597.db2.gz RBYWZACKLKMOGD-QGZVFWFLSA-N 2 1 325.541 3.125 20 30 EGEDMP C=CCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157951397 1381079647 /nfs/dbraw/zinc/07/96/47/1381079647.db2.gz XUUJOLJHYGYBJC-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951397 1381079652 /nfs/dbraw/zinc/07/96/52/1381079652.db2.gz XUUJOLJHYGYBJC-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157951397 1381079655 /nfs/dbraw/zinc/07/96/55/1381079655.db2.gz XUUJOLJHYGYBJC-MOPGFXCFSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001158549376 1381292595 /nfs/dbraw/zinc/29/25/95/1381292595.db2.gz DGFJBBAEOVSNLV-RBUKOAKNSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466806 1382113294 /nfs/dbraw/zinc/11/32/94/1382113294.db2.gz JKCVQELURIPUHR-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466806 1382113296 /nfs/dbraw/zinc/11/32/96/1382113296.db2.gz JKCVQELURIPUHR-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466806 1382113300 /nfs/dbraw/zinc/11/33/00/1382113300.db2.gz JKCVQELURIPUHR-UXHICEINSA-N 2 1 345.531 3.108 20 30 EGEDMP CCCCCCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029573 1382276837 /nfs/dbraw/zinc/27/68/37/1382276837.db2.gz OHKUHOHABRHRDD-UHFFFAOYSA-N 2 1 349.563 3.437 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161219686 1382347081 /nfs/dbraw/zinc/34/70/81/1382347081.db2.gz KTRZBGONODJGBT-SFHVURJKSA-N 2 1 349.563 3.457 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161219686 1382347085 /nfs/dbraw/zinc/34/70/85/1382347085.db2.gz KTRZBGONODJGBT-SFHVURJKSA-N 2 1 349.563 3.457 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001161219686 1382347088 /nfs/dbraw/zinc/34/70/88/1382347088.db2.gz KTRZBGONODJGBT-SFHVURJKSA-N 2 1 349.563 3.457 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161444962 1382412812 /nfs/dbraw/zinc/41/28/12/1382412812.db2.gz NTTUSGONGMZWFC-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161444962 1382412815 /nfs/dbraw/zinc/41/28/15/1382412815.db2.gz NTTUSGONGMZWFC-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161444962 1382412817 /nfs/dbraw/zinc/41/28/17/1382412817.db2.gz NTTUSGONGMZWFC-PMACEKPBSA-N 2 1 345.531 3.108 20 30 EGEDMP C[C@H]1C[C@@H]([N@@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC001168103080 1383817496 /nfs/dbraw/zinc/81/74/96/1383817496.db2.gz RPAXAPPOWVMJDZ-KNTRFNDTSA-N 2 1 327.472 3.198 20 30 EGEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)CC1 ZINC001168330329 1383875032 /nfs/dbraw/zinc/87/50/32/1383875032.db2.gz PDZKGEZEXZETKL-QLOJAFMTSA-N 2 1 327.472 3.274 20 30 EGEDMP CCN1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241871 1384126294 /nfs/dbraw/zinc/12/62/94/1384126294.db2.gz QYIPWSRQXBEDEZ-MXVIHJGJSA-N 2 1 340.515 3.114 20 30 EGEDMP CC[NH+]1CCC([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241871 1384126297 /nfs/dbraw/zinc/12/62/97/1384126297.db2.gz QYIPWSRQXBEDEZ-MXVIHJGJSA-N 3 1 340.515 3.114 20 30 EGEDMP CC[NH+]1CCC([N@@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001169241871 1384126299 /nfs/dbraw/zinc/12/62/99/1384126299.db2.gz QYIPWSRQXBEDEZ-MXVIHJGJSA-N 3 1 340.515 3.114 20 30 EGEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C\CCC ZINC001171307423 1384490675 /nfs/dbraw/zinc/49/06/75/1384490675.db2.gz IQTAZIZUXGLXIA-COJDAZNPSA-N 2 1 347.547 3.095 20 30 EGEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC/C=C\CCC ZINC001171307423 1384490681 /nfs/dbraw/zinc/49/06/81/1384490681.db2.gz IQTAZIZUXGLXIA-COJDAZNPSA-N 2 1 347.547 3.095 20 30 EGEDMP Cc1ccc[nH+]c1N([C@@H](C)Cc1ccc(C#N)cc1)C1CC[NH2+]CC1 ZINC001172312916 1384766914 /nfs/dbraw/zinc/76/69/14/1384766914.db2.gz LXIHNMSOULWIDQ-KRWDZBQOSA-N 2 1 334.467 3.451 20 30 EGEDMP Cc1cccc(N([C@H](C)Cc2ccc(C#N)cc2)C2CC[NH2+]CC2)[nH+]1 ZINC001172313169 1384766998 /nfs/dbraw/zinc/76/69/98/1384766998.db2.gz QPQYWSGOAFUYLE-QGZVFWFLSA-N 2 1 334.467 3.451 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001175565283 1385333247 /nfs/dbraw/zinc/33/32/47/1385333247.db2.gz IMRSHFGDDBMPAF-KRWDZBQOSA-N 2 1 334.508 3.237 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001179587184 1386524162 /nfs/dbraw/zinc/52/41/62/1386524162.db2.gz XGFFIRBAGFRANN-OALUTQOASA-N 2 1 337.552 3.197 20 30 EGEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001179589823 1386525334 /nfs/dbraw/zinc/52/53/34/1386525334.db2.gz CDKHBAFWGWFKCX-LJQANCHMSA-N 2 1 341.515 3.041 20 30 EGEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001179749109 1386571150 /nfs/dbraw/zinc/57/11/50/1386571150.db2.gz XWDFLUJNZROANO-FHWLQOOXSA-N 2 1 337.552 3.432 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001752542624 1440194694 /nfs/dbraw/zinc/19/46/94/1440194694.db2.gz NYXPDFDRGIUFLA-ZGXWSNOMSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001752542624 1440194695 /nfs/dbraw/zinc/19/46/95/1440194695.db2.gz NYXPDFDRGIUFLA-ZGXWSNOMSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001752542624 1440194696 /nfs/dbraw/zinc/19/46/96/1440194696.db2.gz NYXPDFDRGIUFLA-ZGXWSNOMSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C(C)C ZINC001754540991 1440626151 /nfs/dbraw/zinc/62/61/51/1440626151.db2.gz NJFLQBJZFSRAQP-AYHJJNSGSA-N 2 1 344.503 3.084 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001754564295 1440634771 /nfs/dbraw/zinc/63/47/71/1440634771.db2.gz AGSNHIZMTGBOMX-SFHLNBCPSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001754564295 1440634772 /nfs/dbraw/zinc/63/47/72/1440634772.db2.gz AGSNHIZMTGBOMX-SFHLNBCPSA-N 2 1 349.563 3.221 20 30 EGEDMP CCCCCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001754564295 1440634773 /nfs/dbraw/zinc/63/47/73/1440634773.db2.gz AGSNHIZMTGBOMX-SFHLNBCPSA-N 2 1 349.563 3.221 20 30 EGEDMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001754726435 1440676519 /nfs/dbraw/zinc/67/65/19/1440676519.db2.gz ACTBSGNSJTUQEU-FXAWDEMLSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001754726435 1440676520 /nfs/dbraw/zinc/67/65/20/1440676520.db2.gz ACTBSGNSJTUQEU-FXAWDEMLSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001754866185 1440702839 /nfs/dbraw/zinc/70/28/39/1440702839.db2.gz VUBMNYSDHBIWKF-QYZOEREBSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(Cl)C[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001754948913 1440714406 /nfs/dbraw/zinc/71/44/06/1440714406.db2.gz RVUMIIMZLPYUST-NVXWUHKLSA-N 2 1 349.906 3.048 20 30 EGEDMP C=CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001755069907 1440746217 /nfs/dbraw/zinc/74/62/17/1440746217.db2.gz LTOJRXNVKBDFEU-IBGZPJMESA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001755141048 1440760385 /nfs/dbraw/zinc/76/03/85/1440760385.db2.gz ATEXKOWBBHNBHX-IEBWSBKVSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001755722380 1440907860 /nfs/dbraw/zinc/90/78/60/1440907860.db2.gz ODXSRXMAOXMQMD-PXNSSMCTSA-N 2 1 343.515 3.297 20 30 EGEDMP C=CC[NH+]1CCN(c2[nH+]ccc3c2ccn3Cc2ccccc2)CC1 ZINC001165031818 721868236 /nfs/dbraw/zinc/86/82/36/721868236.db2.gz WVYQFTVNBVOPDP-UHFFFAOYSA-N 2 1 332.451 3.393 20 30 EGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000122060482 222006227 /nfs/dbraw/zinc/00/62/27/222006227.db2.gz IINLZRNYHCDXAL-UHFFFAOYSA-N 2 1 347.478 3.268 20 30 EGEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000289714517 266027483 /nfs/dbraw/zinc/02/74/83/266027483.db2.gz JFUJHGMUQBDSEK-QGZVFWFLSA-N 2 1 328.504 3.237 20 30 EGEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000289714517 266027489 /nfs/dbraw/zinc/02/74/89/266027489.db2.gz JFUJHGMUQBDSEK-QGZVFWFLSA-N 2 1 328.504 3.237 20 30 EGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000539086295 314295266 /nfs/dbraw/zinc/29/52/66/314295266.db2.gz GFYTUAWUOPRKSK-XMSQKQJNSA-N 2 1 349.478 3.437 20 30 EGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000539086295 314295270 /nfs/dbraw/zinc/29/52/70/314295270.db2.gz GFYTUAWUOPRKSK-XMSQKQJNSA-N 2 1 349.478 3.437 20 30 EGEDMP CCC(CC)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000552235706 315208237 /nfs/dbraw/zinc/20/82/37/315208237.db2.gz PJBYGQWPKQVRLD-OAQYLSRUSA-N 2 1 342.531 3.483 20 30 EGEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000104172445 454576905 /nfs/dbraw/zinc/57/69/05/454576905.db2.gz DKPIWCHGVMKCGM-NWDGAFQWSA-N 2 1 343.302 3.301 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092746995 454624057 /nfs/dbraw/zinc/62/40/57/454624057.db2.gz OMVFQROGRVNVOS-QGZVFWFLSA-N 2 1 343.515 3.056 20 30 EGEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2)[NH+]2CCCC2)cc1 ZINC000066242521 454671400 /nfs/dbraw/zinc/67/14/00/454671400.db2.gz QFFXQZDWBXLPFK-LJQANCHMSA-N 2 1 338.455 3.259 20 30 EGEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000075007696 454673762 /nfs/dbraw/zinc/67/37/62/454673762.db2.gz GYVFZVGYUOCBBH-UHFFFAOYSA-N 2 1 333.451 3.020 20 30 EGEDMP N#CCCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597373 454722038 /nfs/dbraw/zinc/72/20/38/454722038.db2.gz QSXMCPKXKHQZGF-LJQANCHMSA-N 2 1 327.472 3.287 20 30 EGEDMP N#CCCCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597373 454722044 /nfs/dbraw/zinc/72/20/44/454722044.db2.gz QSXMCPKXKHQZGF-LJQANCHMSA-N 2 1 327.472 3.287 20 30 EGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(C#N)cc1 ZINC000182249591 455471922 /nfs/dbraw/zinc/47/19/22/455471922.db2.gz CWTDPCGKCOMKRH-VGOFRKELSA-N 2 1 349.478 3.366 20 30 EGEDMP N#Cc1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn2ccccc12 ZINC000246948575 455538442 /nfs/dbraw/zinc/53/84/42/455538442.db2.gz UMCHJBSJFCPOMG-OXJNMPFZSA-N 2 1 334.467 3.260 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249505579 455758938 /nfs/dbraw/zinc/75/89/38/455758938.db2.gz YHSIBCJUXBKJSW-PXNSSMCTSA-N 2 1 329.488 3.093 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000271941205 455800437 /nfs/dbraw/zinc/80/04/37/455800437.db2.gz LSIIYYJIIMCHAO-YRNRMSPPSA-N 2 1 347.478 3.485 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000271941205 455800446 /nfs/dbraw/zinc/80/04/46/455800446.db2.gz LSIIYYJIIMCHAO-YRNRMSPPSA-N 2 1 347.478 3.485 20 30 EGEDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCCCC#N ZINC000294985175 455834357 /nfs/dbraw/zinc/83/43/57/455834357.db2.gz KDZCARIUXBTYJM-AYHJJNSGSA-N 2 1 343.471 3.093 20 30 EGEDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCCCC#N ZINC000294985175 455834361 /nfs/dbraw/zinc/83/43/61/455834361.db2.gz KDZCARIUXBTYJM-AYHJJNSGSA-N 2 1 343.471 3.093 20 30 EGEDMP Cc1ccc([C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)[NH+]2CCCC2)o1 ZINC000262330701 456026400 /nfs/dbraw/zinc/02/64/00/456026400.db2.gz XYTLAOQUEIXRRB-INIZCTEOSA-N 2 1 348.397 3.430 20 30 EGEDMP C=CCC[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000340505219 456497501 /nfs/dbraw/zinc/49/75/01/456497501.db2.gz NJZTWLADWZCFRX-UXHICEINSA-N 2 1 340.467 3.296 20 30 EGEDMP C=CCC[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccco1 ZINC000340505219 456497510 /nfs/dbraw/zinc/49/75/10/456497510.db2.gz NJZTWLADWZCFRX-UXHICEINSA-N 2 1 340.467 3.296 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C2 ZINC000329510300 456902224 /nfs/dbraw/zinc/90/22/24/456902224.db2.gz JZLGMXZBZIXXLH-QOKNQOGYSA-N 2 1 332.492 3.221 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)C2 ZINC000329720229 456931731 /nfs/dbraw/zinc/93/17/31/456931731.db2.gz AIOMSTJEOMCNAD-INMHGKMJSA-N 2 1 346.519 3.467 20 30 EGEDMP C[N@@H+](CCCC(C)(C)C#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352714687 457552707 /nfs/dbraw/zinc/55/27/07/457552707.db2.gz MQXJXIJWDCZNAC-UHFFFAOYSA-N 2 1 342.531 3.066 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000436289611 458284801 /nfs/dbraw/zinc/28/48/01/458284801.db2.gz XSMPSKYKVYMBJO-BDHVOXNPSA-N 2 1 340.511 3.468 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000519761342 459000276 /nfs/dbraw/zinc/00/02/76/459000276.db2.gz DFHLWKPLCAHLGH-UHFFFAOYSA-N 2 1 335.879 3.299 20 30 EGEDMP CN(c1ccccc1C[N@H+]1CCC[C@H](CC#N)C1)C1CC[NH+](C)CC1 ZINC000597172702 459861959 /nfs/dbraw/zinc/86/19/59/459861959.db2.gz DCENOOYZDGADNH-GOSISDBHSA-N 2 1 340.515 3.343 20 30 EGEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000598593864 459957196 /nfs/dbraw/zinc/95/71/96/459957196.db2.gz XPWOLXPYONZOBN-RLLQIKCJSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000598593864 459957201 /nfs/dbraw/zinc/95/72/01/459957201.db2.gz XPWOLXPYONZOBN-RLLQIKCJSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000598593864 459957203 /nfs/dbraw/zinc/95/72/03/459957203.db2.gz XPWOLXPYONZOBN-RLLQIKCJSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CC[NH+]1Cc1ccccc1 ZINC000598593864 459957208 /nfs/dbraw/zinc/95/72/08/459957208.db2.gz XPWOLXPYONZOBN-RLLQIKCJSA-N 2 1 343.515 3.272 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000602509599 459974724 /nfs/dbraw/zinc/97/47/24/459974724.db2.gz DYLIAQZUFFQZGI-SFHVURJKSA-N 2 1 341.499 3.123 20 30 EGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000602509599 459974728 /nfs/dbraw/zinc/97/47/28/459974728.db2.gz DYLIAQZUFFQZGI-SFHVURJKSA-N 2 1 341.499 3.123 20 30 EGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598701398 459999891 /nfs/dbraw/zinc/99/98/91/459999891.db2.gz USVYKEDLDYQLJJ-PXNSSMCTSA-N 2 1 343.515 3.451 20 30 EGEDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000181541556 533916719 /nfs/dbraw/zinc/91/67/19/533916719.db2.gz KLPOXWAUVNTBLW-SFHVURJKSA-N 2 1 348.494 3.156 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000191476546 528863154 /nfs/dbraw/zinc/86/31/54/528863154.db2.gz BQMYBHWGXRNNLT-UHFFFAOYSA-N 2 1 326.444 3.108 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000191476546 528863159 /nfs/dbraw/zinc/86/31/59/528863159.db2.gz BQMYBHWGXRNNLT-UHFFFAOYSA-N 2 1 326.444 3.108 20 30 EGEDMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](C#N)CCC#N)cc2)CC1 ZINC000738426840 576324537 /nfs/dbraw/zinc/32/45/37/576324537.db2.gz ATPVYXNPNJVTCU-SFHVURJKSA-N 2 1 339.487 3.320 20 30 EGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000048711499 1291617495 /nfs/dbraw/zinc/61/74/95/1291617495.db2.gz SSPONIFPEPBSQJ-QFIPXVFZSA-N 2 1 348.494 3.027 20 30 EGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000125890937 1293519369 /nfs/dbraw/zinc/51/93/69/1293519369.db2.gz LBRWOEDYEPLBEB-KDURUIRLSA-N 2 1 342.531 3.494 20 30 EGEDMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCCCCC1 ZINC000126031848 1293522641 /nfs/dbraw/zinc/52/26/41/1293522641.db2.gz MDUNFWQQBACOFE-MRXNPFEDSA-N 2 1 334.533 3.151 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)c1O ZINC000164425131 1294347377 /nfs/dbraw/zinc/34/73/77/1294347377.db2.gz SKEBVBYWTUIZKL-MRXNPFEDSA-N 2 1 332.488 3.293 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)c1O ZINC000164425131 1294347384 /nfs/dbraw/zinc/34/73/84/1294347384.db2.gz SKEBVBYWTUIZKL-MRXNPFEDSA-N 2 1 332.488 3.293 20 30 EGEDMP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192925813 1295814351 /nfs/dbraw/zinc/81/43/51/1295814351.db2.gz XBZRSZNJIXVHLR-NRFANRHFSA-N 2 1 334.463 3.310 20 30 EGEDMP CC[NH+](CC)[C@@H](CNC1=[NH+]C[C@H](C)N1)c1ccc(C(F)(F)F)cc1 ZINC000262479791 1296634988 /nfs/dbraw/zinc/63/49/88/1296634988.db2.gz CUBMKYFOARSPNX-WFASDCNBSA-N 2 1 342.409 3.026 20 30 EGEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000303871350 1296863943 /nfs/dbraw/zinc/86/39/43/1296863943.db2.gz FVALKIJCEGDVOO-OAHLLOKOSA-N 2 1 344.425 3.401 20 30 EGEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1OC(C)(C)C ZINC000304826840 1296946451 /nfs/dbraw/zinc/94/64/51/1296946451.db2.gz HNUQBBLBIOZTSD-QGZVFWFLSA-N 2 1 346.519 3.061 20 30 EGEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000877060667 1299138246 /nfs/dbraw/zinc/13/82/46/1299138246.db2.gz NDSCWXFLPBDKEX-LEWJYISDSA-N 2 1 328.500 3.043 20 30 EGEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000877060667 1299138250 /nfs/dbraw/zinc/13/82/50/1299138250.db2.gz NDSCWXFLPBDKEX-LEWJYISDSA-N 2 1 328.500 3.043 20 30 EGEDMP C=CCc1cc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc(OC)c1OC ZINC000772952456 1303597689 /nfs/dbraw/zinc/59/76/89/1303597689.db2.gz FCKZTAISUZEVCD-MAUKXSAKSA-N 2 1 332.488 3.252 20 30 EGEDMP C=CCc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc(OC)c1OC ZINC000772952456 1303597701 /nfs/dbraw/zinc/59/77/01/1303597701.db2.gz FCKZTAISUZEVCD-MAUKXSAKSA-N 2 1 332.488 3.252 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000783293413 1305077581 /nfs/dbraw/zinc/07/75/81/1305077581.db2.gz HDUDEOXUWCHZHJ-BAGYTPMASA-N 2 1 346.478 3.344 20 30 EGEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000783293413 1305077585 /nfs/dbraw/zinc/07/75/85/1305077585.db2.gz HDUDEOXUWCHZHJ-BAGYTPMASA-N 2 1 346.478 3.344 20 30 EGEDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000902816056 1317619869 /nfs/dbraw/zinc/61/98/69/1317619869.db2.gz NPKCSIFFDDKFGO-FGZHOGPDSA-N 2 1 349.478 3.236 20 30 EGEDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000902816056 1317619874 /nfs/dbraw/zinc/61/98/74/1317619874.db2.gz NPKCSIFFDDKFGO-FGZHOGPDSA-N 2 1 349.478 3.236 20 30 EGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000815652691 1319037502 /nfs/dbraw/zinc/03/75/02/1319037502.db2.gz NGOZMZFEELNQQX-HKUYNNGSSA-N 2 1 332.463 3.405 20 30 EGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000815652691 1319037510 /nfs/dbraw/zinc/03/75/10/1319037510.db2.gz NGOZMZFEELNQQX-HKUYNNGSSA-N 2 1 332.463 3.405 20 30 EGEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001023695614 1319820253 /nfs/dbraw/zinc/82/02/53/1319820253.db2.gz COOZPYMZVWICML-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023695614 1319820266 /nfs/dbraw/zinc/82/02/66/1319820266.db2.gz COOZPYMZVWICML-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001023695614 1319820276 /nfs/dbraw/zinc/82/02/76/1319820276.db2.gz COOZPYMZVWICML-MOPGFXCFSA-N 2 1 335.536 3.045 20 30 EGEDMP C[C@H]1CCC[N@H+](C(C)(C)C[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849065984 1322064537 /nfs/dbraw/zinc/06/45/37/1322064537.db2.gz NSLHQQKCOPQVPR-KRWDZBQOSA-N 2 1 330.520 3.204 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001025266795 1324079099 /nfs/dbraw/zinc/07/90/99/1324079099.db2.gz LPUNDGHJSFFBCC-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001025266795 1324079105 /nfs/dbraw/zinc/07/91/05/1324079105.db2.gz LPUNDGHJSFFBCC-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001025266795 1324079112 /nfs/dbraw/zinc/07/91/12/1324079112.db2.gz LPUNDGHJSFFBCC-RTBURBONSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001025274567 1324093447 /nfs/dbraw/zinc/09/34/47/1324093447.db2.gz KRNBMMCUWQUJHX-UXHICEINSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001025287824 1324110178 /nfs/dbraw/zinc/11/01/78/1324110178.db2.gz QVJJPAJYUCWYPA-PMACEKPBSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025484194 1324332089 /nfs/dbraw/zinc/33/20/89/1324332089.db2.gz AJGPESVJGDZHPZ-SJORKVTESA-N 2 1 340.471 3.131 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001025559225 1324406316 /nfs/dbraw/zinc/40/63/16/1324406316.db2.gz SDFWHGHIDPZPFK-FXAWDEMLSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001025627617 1324478733 /nfs/dbraw/zinc/47/87/33/1324478733.db2.gz ADHQUIRQZWDUPZ-ROUUACIJSA-N 2 1 343.515 3.155 20 30 EGEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000963331576 1325116925 /nfs/dbraw/zinc/11/69/25/1325116925.db2.gz OSMLEABSGZODQV-LMDPOFIKSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000963833015 1325405894 /nfs/dbraw/zinc/40/58/94/1325405894.db2.gz JCCKMQVRZXLKOX-QLOJAFMTSA-N 2 1 347.547 3.329 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC000947361045 1333102773 /nfs/dbraw/zinc/10/27/73/1333102773.db2.gz LHUUDSYCBUBDJQ-NVXWUHKLSA-N 2 1 349.544 3.359 20 30 EGEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801397 1333265316 /nfs/dbraw/zinc/26/53/16/1333265316.db2.gz MVYXXIMNDQVGQA-YJBOKZPZSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801397 1333265318 /nfs/dbraw/zinc/26/53/18/1333265318.db2.gz MVYXXIMNDQVGQA-YJBOKZPZSA-N 2 1 349.906 3.083 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434329 1333522887 /nfs/dbraw/zinc/52/28/87/1333522887.db2.gz AYXWOQVRPRPDSF-UXHICEINSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434329 1333522891 /nfs/dbraw/zinc/52/28/91/1333522891.db2.gz AYXWOQVRPRPDSF-UXHICEINSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434329 1333522892 /nfs/dbraw/zinc/52/28/92/1333522892.db2.gz AYXWOQVRPRPDSF-UXHICEINSA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948438843 1333525123 /nfs/dbraw/zinc/52/51/23/1333525123.db2.gz AMKFOIXQCMSMEC-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948438843 1333525126 /nfs/dbraw/zinc/52/51/26/1333525126.db2.gz AMKFOIXQCMSMEC-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948438843 1333525130 /nfs/dbraw/zinc/52/51/30/1333525130.db2.gz AMKFOIXQCMSMEC-RBUKOAKNSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439573 1333526537 /nfs/dbraw/zinc/52/65/37/1333526537.db2.gz SBCGJAQMTRKRFM-ROUUACIJSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439573 1333526540 /nfs/dbraw/zinc/52/65/40/1333526540.db2.gz SBCGJAQMTRKRFM-ROUUACIJSA-N 2 1 344.503 3.040 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000948711831 1333643431 /nfs/dbraw/zinc/64/34/31/1333643431.db2.gz USMOVBWQICSKCA-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711831 1333643433 /nfs/dbraw/zinc/64/34/33/1333643433.db2.gz USMOVBWQICSKCA-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000948711831 1333643437 /nfs/dbraw/zinc/64/34/37/1333643437.db2.gz USMOVBWQICSKCA-PMACEKPBSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968913480 1336086839 /nfs/dbraw/zinc/08/68/39/1336086839.db2.gz HBYATLZJFCQSSH-LJQANCHMSA-N 2 1 347.547 3.189 20 30 EGEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000968928182 1336092670 /nfs/dbraw/zinc/09/26/70/1336092670.db2.gz DTNQRGLFDRUSJO-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928182 1336092673 /nfs/dbraw/zinc/09/26/73/1336092673.db2.gz DTNQRGLFDRUSJO-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000968928182 1336092678 /nfs/dbraw/zinc/09/26/78/1336092678.db2.gz DTNQRGLFDRUSJO-RBUKOAKNSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000968990605 1336112555 /nfs/dbraw/zinc/11/25/55/1336112555.db2.gz IWEBDNXEGOHXJR-PMACEKPBSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990605 1336112557 /nfs/dbraw/zinc/11/25/57/1336112557.db2.gz IWEBDNXEGOHXJR-PMACEKPBSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000968990605 1336112558 /nfs/dbraw/zinc/11/25/58/1336112558.db2.gz IWEBDNXEGOHXJR-PMACEKPBSA-N 2 1 349.563 3.435 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326023 1336294704 /nfs/dbraw/zinc/29/47/04/1336294704.db2.gz MDBGUMBDBDBLKQ-PXNSSMCTSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006277187 1336480446 /nfs/dbraw/zinc/48/04/46/1336480446.db2.gz GNNIPWWETKZLMF-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791560 1338728461 /nfs/dbraw/zinc/72/84/61/1338728461.db2.gz TYALPWTZXDWOFQ-RTBURBONSA-N 2 1 347.547 3.045 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001029011954 1340908736 /nfs/dbraw/zinc/90/87/36/1340908736.db2.gz FKHYYLKHDDRMMI-QGZVFWFLSA-N 2 1 347.503 3.139 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210990 1342321601 /nfs/dbraw/zinc/32/16/01/1342321601.db2.gz JYBXJONIKQGHJL-SFHVURJKSA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248423 1342346080 /nfs/dbraw/zinc/34/60/80/1342346080.db2.gz BXZBDGLGSVGTHC-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248423 1342346083 /nfs/dbraw/zinc/34/60/83/1342346083.db2.gz BXZBDGLGSVGTHC-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248423 1342346087 /nfs/dbraw/zinc/34/60/87/1342346087.db2.gz BXZBDGLGSVGTHC-RBUKOAKNSA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001034360360 1342432215 /nfs/dbraw/zinc/43/22/15/1342432215.db2.gz HWPIFGSKZQAXLI-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001034360360 1342432222 /nfs/dbraw/zinc/43/22/22/1342432222.db2.gz HWPIFGSKZQAXLI-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001034360360 1342432224 /nfs/dbraw/zinc/43/22/24/1342432224.db2.gz HWPIFGSKZQAXLI-ICSRJNTNSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034437074 1342499146 /nfs/dbraw/zinc/49/91/46/1342499146.db2.gz DMNGFUKQCWNEQW-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437074 1342499150 /nfs/dbraw/zinc/49/91/50/1342499150.db2.gz DMNGFUKQCWNEQW-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034437074 1342499154 /nfs/dbraw/zinc/49/91/54/1342499154.db2.gz DMNGFUKQCWNEQW-OALUTQOASA-N 2 1 335.536 3.186 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001034775342 1342752970 /nfs/dbraw/zinc/75/29/70/1342752970.db2.gz LJHVHWBQSGYYBM-GUDVDZBRSA-N 2 1 335.536 3.234 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC[C@H]21 ZINC001036755128 1343677170 /nfs/dbraw/zinc/67/71/70/1343677170.db2.gz RMGRQEHIFNQJLT-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755128 1343677172 /nfs/dbraw/zinc/67/71/72/1343677172.db2.gz RMGRQEHIFNQJLT-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)CC[C@H]21 ZINC001036755128 1343677173 /nfs/dbraw/zinc/67/71/73/1343677173.db2.gz RMGRQEHIFNQJLT-IEBWSBKVSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040727481 1345571457 /nfs/dbraw/zinc/57/14/57/1345571457.db2.gz RRTQNJCZBZIZQL-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001048557029 1347591851 /nfs/dbraw/zinc/59/18/51/1347591851.db2.gz CECDXZFQKGTYFZ-HAGHYFMRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048557029 1347591854 /nfs/dbraw/zinc/59/18/54/1347591854.db2.gz CECDXZFQKGTYFZ-HAGHYFMRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001048557029 1347591856 /nfs/dbraw/zinc/59/18/56/1347591856.db2.gz CECDXZFQKGTYFZ-HAGHYFMRSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001048583415 1347605575 /nfs/dbraw/zinc/60/55/75/1347605575.db2.gz KCMYYGJAXICEFS-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001048583415 1347605577 /nfs/dbraw/zinc/60/55/77/1347605577.db2.gz KCMYYGJAXICEFS-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001048583415 1347605580 /nfs/dbraw/zinc/60/55/80/1347605580.db2.gz KCMYYGJAXICEFS-YRPNKDGESA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486132 1347871613 /nfs/dbraw/zinc/87/16/13/1347871613.db2.gz QNHYZUPTQLTLTN-FGTMMUONSA-N 2 1 344.503 3.038 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001049486132 1347871617 /nfs/dbraw/zinc/87/16/17/1347871617.db2.gz QNHYZUPTQLTLTN-FGTMMUONSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC001052650972 1348613453 /nfs/dbraw/zinc/61/34/53/1348613453.db2.gz BWAOHEJYRRZFOG-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001052650972 1348613455 /nfs/dbraw/zinc/61/34/55/1348613455.db2.gz BWAOHEJYRRZFOG-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC001052650972 1348613458 /nfs/dbraw/zinc/61/34/58/1348613458.db2.gz BWAOHEJYRRZFOG-UYAOXDASSA-N 2 1 347.547 3.330 20 30 EGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052793427 1348681209 /nfs/dbraw/zinc/68/12/09/1348681209.db2.gz CUNMDXXJWNZRCG-GOSISDBHSA-N 2 1 349.906 3.085 20 30 EGEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001054226745 1349220554 /nfs/dbraw/zinc/22/05/54/1349220554.db2.gz YBQKWRYXVQDLTH-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001054226745 1349220556 /nfs/dbraw/zinc/22/05/56/1349220556.db2.gz YBQKWRYXVQDLTH-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001054226745 1349220560 /nfs/dbraw/zinc/22/05/60/1349220560.db2.gz YBQKWRYXVQDLTH-FPOVZHCZSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071897349 1355013112 /nfs/dbraw/zinc/01/31/12/1355013112.db2.gz MXERGUOJOOBXKX-XLIONFOSSA-N 2 1 343.515 3.297 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@@H]21 ZINC001085072559 1358383444 /nfs/dbraw/zinc/38/34/44/1358383444.db2.gz HAXYDYGIBSRNLG-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072559 1358383446 /nfs/dbraw/zinc/38/34/46/1358383446.db2.gz HAXYDYGIBSRNLG-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@@H]21 ZINC001085072559 1358383449 /nfs/dbraw/zinc/38/34/49/1358383449.db2.gz HAXYDYGIBSRNLG-AQNXPRMDSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089509319 1360480644 /nfs/dbraw/zinc/48/06/44/1360480644.db2.gz ASOKMGRPTCFCHD-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509319 1360480646 /nfs/dbraw/zinc/48/06/46/1360480646.db2.gz ASOKMGRPTCFCHD-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509319 1360480647 /nfs/dbraw/zinc/48/06/47/1360480647.db2.gz ASOKMGRPTCFCHD-RBUKOAKNSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001089664665 1360575188 /nfs/dbraw/zinc/57/51/88/1360575188.db2.gz OEHTWFXAFBWQBM-QGZVFWFLSA-N 2 1 340.471 3.131 20 30 EGEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001089707076 1360609738 /nfs/dbraw/zinc/60/97/38/1360609738.db2.gz YZTIFMHHAVVVAF-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089707076 1360609741 /nfs/dbraw/zinc/60/97/41/1360609741.db2.gz YZTIFMHHAVVVAF-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001089707076 1360609742 /nfs/dbraw/zinc/60/97/42/1360609742.db2.gz YZTIFMHHAVVVAF-RTBURBONSA-N 2 1 349.563 3.432 20 30 EGEDMP C[C@H](NN=Cc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001324230668 1387562148 /nfs/dbraw/zinc/56/21/48/1387562148.db2.gz IAIUZTQZMMXDQK-INIZCTEOSA-N 2 1 340.446 3.262 20 30 EGEDMP C=CC[NH2+][C@H](C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1)C1CCCC1 ZINC001098822286 1363482839 /nfs/dbraw/zinc/48/28/39/1363482839.db2.gz YHZLJXLGUPULMG-UYAOXDASSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225371 1363701183 /nfs/dbraw/zinc/70/11/83/1363701183.db2.gz SDWATTHTWQPCPH-ZWKOTPCHSA-N 2 1 337.552 3.146 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001099251421 1363713582 /nfs/dbraw/zinc/71/35/82/1363713582.db2.gz JRRXIQHPPRREII-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001099348671 1363764818 /nfs/dbraw/zinc/76/48/18/1363764818.db2.gz JXKHQOBMTLYARQ-RTBURBONSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001101521796 1364596326 /nfs/dbraw/zinc/59/63/26/1364596326.db2.gz BIPMJTXQJKAVMU-IEBWSBKVSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001101521795 1364596517 /nfs/dbraw/zinc/59/65/17/1364596517.db2.gz BIPMJTXQJKAVMU-HKUYNNGSSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984931 1364800178 /nfs/dbraw/zinc/80/01/78/1364800178.db2.gz SHMZUJFBNWXOGS-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101984931 1364800179 /nfs/dbraw/zinc/80/01/79/1364800179.db2.gz SHMZUJFBNWXOGS-FGTMMUONSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598243 1365664135 /nfs/dbraw/zinc/66/41/35/1365664135.db2.gz BAHJQLBAQACHGS-UYAOXDASSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104291798 1365977531 /nfs/dbraw/zinc/97/75/31/1365977531.db2.gz VRJADJGNBADVQZ-AQNXPRMDSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249654 1366633618 /nfs/dbraw/zinc/63/36/18/1366633618.db2.gz MGWLVKCTVDIMAO-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107646810 1367092270 /nfs/dbraw/zinc/09/22/70/1367092270.db2.gz XFJOIHPSPUCNPN-SVFBPWRDSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419466 1367112770 /nfs/dbraw/zinc/11/27/70/1367112770.db2.gz QWVVWFMOYXCVCU-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419466 1367112773 /nfs/dbraw/zinc/11/27/73/1367112773.db2.gz QWVVWFMOYXCVCU-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419466 1367112778 /nfs/dbraw/zinc/11/27/78/1367112778.db2.gz QWVVWFMOYXCVCU-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109590111 1367215471 /nfs/dbraw/zinc/21/54/71/1367215471.db2.gz SLJXOALWXRCRSL-QYZOEREBSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001110158267 1367530757 /nfs/dbraw/zinc/53/07/57/1367530757.db2.gz JXJRORSHLFOFFE-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001110158267 1367530760 /nfs/dbraw/zinc/53/07/60/1367530760.db2.gz JXJRORSHLFOFFE-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001110158267 1367530766 /nfs/dbraw/zinc/53/07/66/1367530766.db2.gz JXJRORSHLFOFFE-FUMNGEBKSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188684 1367556323 /nfs/dbraw/zinc/55/63/23/1367556323.db2.gz MNFSQARXUDNQBR-YRPNKDGESA-N 2 1 347.547 3.329 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989388 1367658651 /nfs/dbraw/zinc/65/86/51/1367658651.db2.gz UVIQGQBYBLXDQM-SFHVURJKSA-N 2 1 349.519 3.458 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857719 1368038459 /nfs/dbraw/zinc/03/84/59/1368038459.db2.gz OEYHOPGIFVYHMG-QRVBRYPASA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862174 1368041677 /nfs/dbraw/zinc/04/16/77/1368041677.db2.gz ARAFPRAHHYLELD-MKXGPGLRSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001195865037 1368506181 /nfs/dbraw/zinc/50/61/81/1368506181.db2.gz GOCNZWSDXLPOMT-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001195865037 1368506185 /nfs/dbraw/zinc/50/61/85/1368506185.db2.gz GOCNZWSDXLPOMT-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001195865037 1368506190 /nfs/dbraw/zinc/50/61/90/1368506190.db2.gz GOCNZWSDXLPOMT-VQTJNVASSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891531 1368536446 /nfs/dbraw/zinc/53/64/46/1368536446.db2.gz WOCHYYFVEDXFMK-CUWPLCDZSA-N 2 1 347.547 3.044 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001111937981 1368567957 /nfs/dbraw/zinc/56/79/57/1368567957.db2.gz FZDGGOCKMPEBFC-DYXWJJEUSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001111937981 1368567963 /nfs/dbraw/zinc/56/79/63/1368567963.db2.gz FZDGGOCKMPEBFC-DYXWJJEUSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001111937981 1368567968 /nfs/dbraw/zinc/56/79/68/1368567968.db2.gz FZDGGOCKMPEBFC-DYXWJJEUSA-N 2 1 349.563 3.269 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196341110 1368592627 /nfs/dbraw/zinc/59/26/27/1368592627.db2.gz MVYILTBQFGUMSS-UHFFFAOYSA-N 2 1 325.541 3.221 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196341110 1368592633 /nfs/dbraw/zinc/59/26/33/1368592633.db2.gz MVYILTBQFGUMSS-UHFFFAOYSA-N 2 1 325.541 3.221 20 30 EGEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112396957 1368822557 /nfs/dbraw/zinc/82/25/57/1368822557.db2.gz MDXYPLUCWZDXHN-ZVDOUQERSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112437125 1368852537 /nfs/dbraw/zinc/85/25/37/1368852537.db2.gz YQBSPHQRVDUZAP-LQWHRVPQSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001112965096 1369112683 /nfs/dbraw/zinc/11/26/83/1369112683.db2.gz DZACKXJMLILVSO-FQEVSTJZSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001112965096 1369112687 /nfs/dbraw/zinc/11/26/87/1369112687.db2.gz DZACKXJMLILVSO-FQEVSTJZSA-N 2 1 347.547 3.284 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001113050699 1369167293 /nfs/dbraw/zinc/16/72/93/1369167293.db2.gz URWMINPCBDBJNQ-KRWDZBQOSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200506847 1369382834 /nfs/dbraw/zinc/38/28/34/1369382834.db2.gz HWWLUBJLQHVMMQ-IBGZPJMESA-N 2 1 335.536 3.186 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577712 1369393043 /nfs/dbraw/zinc/39/30/43/1369393043.db2.gz FBDRUBSYJCPWLM-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001200644015 1369404871 /nfs/dbraw/zinc/40/48/71/1369404871.db2.gz IEEGQGBRZQZDKW-IAGOWNOFSA-N 2 1 346.519 3.332 20 30 EGEDMP CCCCCCCCC[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001201840103 1369632452 /nfs/dbraw/zinc/63/24/52/1369632452.db2.gz UCHWDSDMNRQRJQ-UHFFFAOYSA-N 2 1 337.552 3.413 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@@H+](C)CC)C12CCC2 ZINC001203576442 1370176791 /nfs/dbraw/zinc/17/67/91/1370176791.db2.gz DJOSLOWKKQMREB-ROUUACIJSA-N 2 1 337.552 3.316 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115250427 1370344772 /nfs/dbraw/zinc/34/47/72/1370344772.db2.gz WYFBTYIBSQGNIA-KXTWHKPSSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCOC(=O)N1CCC2(CCC[N@@H+](CC[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC001204843592 1370588798 /nfs/dbraw/zinc/58/87/98/1370588798.db2.gz QSSSPERWXXSZKT-SFHVURJKSA-N 2 1 349.519 3.019 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340101 1370725881 /nfs/dbraw/zinc/72/58/81/1370725881.db2.gz RNPXAMDFHXLUKX-QGZVFWFLSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001208575519 1371824706 /nfs/dbraw/zinc/82/47/06/1371824706.db2.gz PWBAOXUWFDTEIG-GUDVDZBRSA-N 2 1 337.552 3.290 20 30 EGEDMP C=CCCCCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767329 1372074654 /nfs/dbraw/zinc/07/46/54/1372074654.db2.gz BFJGJQNSUDPODJ-GGQJKKPXSA-N 2 1 347.547 3.234 20 30 EGEDMP N#Cc1ccc2c(c1)C[N@H+](Cc1cn3c4c1cccc4C[NH2+]CC3)CC2 ZINC001210197018 1372292952 /nfs/dbraw/zinc/29/29/52/1372292952.db2.gz VOISQXJHBCGWDO-UHFFFAOYSA-N 2 1 342.446 3.174 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848845 1373798345 /nfs/dbraw/zinc/79/83/45/1373798345.db2.gz JFZBPJZQZGFFMQ-WOJBJXKFSA-N 2 1 349.563 3.221 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@@H]1C ZINC001132202198 1375205761 /nfs/dbraw/zinc/20/57/61/1375205761.db2.gz DQVPXHPVNPMPID-RBUKOAKNSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC[C@H]1C ZINC001132941266 1375660423 /nfs/dbraw/zinc/66/04/23/1375660423.db2.gz JBTRSYNFHVPSKJ-MSOLQXFVSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001133276011 1375890226 /nfs/dbraw/zinc/89/02/26/1375890226.db2.gz YVAZZZXWAFASSJ-RTBURBONSA-N 2 1 339.568 3.373 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001230628487 1376106483 /nfs/dbraw/zinc/10/64/83/1376106483.db2.gz IJHJGNYZIJAZNX-HXUWFJFHSA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)C2 ZINC001232012669 1376382305 /nfs/dbraw/zinc/38/23/05/1376382305.db2.gz MZAXBEQCVQCDKX-HXUWFJFHSA-N 2 1 338.455 3.096 20 30 EGEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001135077659 1376882746 /nfs/dbraw/zinc/88/27/46/1376882746.db2.gz QWOAHFNIOHWUTF-ZWKOTPCHSA-N 2 1 337.552 3.480 20 30 EGEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCCCCC ZINC001135690243 1377184545 /nfs/dbraw/zinc/18/45/45/1377184545.db2.gz GJKHGXWZJBXVDP-QZTJIDSGSA-N 2 1 325.541 3.338 20 30 EGEDMP C=C(C)C[N@H+](CC)Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141575217 1378345397 /nfs/dbraw/zinc/34/53/97/1378345397.db2.gz UUGMYQGDUQCKCY-UHFFFAOYSA-N 2 1 348.535 3.101 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001148386693 1379161401 /nfs/dbraw/zinc/16/14/01/1379161401.db2.gz ZHWVZLRZBIIWPV-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386693 1379161405 /nfs/dbraw/zinc/16/14/05/1379161405.db2.gz ZHWVZLRZBIIWPV-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001148386693 1379161408 /nfs/dbraw/zinc/16/14/08/1379161408.db2.gz ZHWVZLRZBIIWPV-OALUTQOASA-N 2 1 347.547 3.138 20 30 EGEDMP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155238010 1380428102 /nfs/dbraw/zinc/42/81/02/1380428102.db2.gz UMDUKQYNQQTHEJ-ZWKOTPCHSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155238010 1380428104 /nfs/dbraw/zinc/42/81/04/1380428104.db2.gz UMDUKQYNQQTHEJ-ZWKOTPCHSA-N 2 1 325.541 3.125 20 30 EGEDMP CCCCCCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155238010 1380428106 /nfs/dbraw/zinc/42/81/06/1380428106.db2.gz UMDUKQYNQQTHEJ-ZWKOTPCHSA-N 2 1 325.541 3.125 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCCCCC ZINC001155878231 1380501906 /nfs/dbraw/zinc/50/19/06/1380501906.db2.gz YKJOPYCYKJUAAE-MRXNPFEDSA-N 2 1 331.932 3.078 20 30 EGEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCCCCC ZINC001155878231 1380501907 /nfs/dbraw/zinc/50/19/07/1380501907.db2.gz YKJOPYCYKJUAAE-MRXNPFEDSA-N 2 1 331.932 3.078 20 30 EGEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155878231 1380501909 /nfs/dbraw/zinc/50/19/09/1380501909.db2.gz YKJOPYCYKJUAAE-MRXNPFEDSA-N 2 1 331.932 3.078 20 30 EGEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCCCCC ZINC001155878231 1380501910 /nfs/dbraw/zinc/50/19/10/1380501910.db2.gz YKJOPYCYKJUAAE-MRXNPFEDSA-N 2 1 331.932 3.078 20 30 EGEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](CCC)CCC ZINC001156319614 1380557904 /nfs/dbraw/zinc/55/79/04/1380557904.db2.gz ZEZAZEQYYNKMKI-GOSISDBHSA-N 2 1 325.541 3.291 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001158704761 1381359804 /nfs/dbraw/zinc/35/98/04/1381359804.db2.gz VUWVTYLMPJMGAU-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704761 1381359815 /nfs/dbraw/zinc/35/98/15/1381359815.db2.gz VUWVTYLMPJMGAU-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001158704761 1381359823 /nfs/dbraw/zinc/35/98/23/1381359823.db2.gz VUWVTYLMPJMGAU-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCC[C@H](C)[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169522 1382024274 /nfs/dbraw/zinc/02/42/74/1382024274.db2.gz UGKNGDNHXWEAQI-YSIASYRMSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169522 1382024279 /nfs/dbraw/zinc/02/42/79/1382024279.db2.gz UGKNGDNHXWEAQI-YSIASYRMSA-N 2 1 347.547 3.210 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169522 1382024283 /nfs/dbraw/zinc/02/42/83/1382024283.db2.gz UGKNGDNHXWEAQI-YSIASYRMSA-N 2 1 347.547 3.210 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161029019 1382277318 /nfs/dbraw/zinc/27/73/18/1382277318.db2.gz KBXLQGCWFYGRBB-UHFFFAOYSA-N 2 1 345.487 3.059 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161704928 1382484921 /nfs/dbraw/zinc/48/49/21/1382484921.db2.gz KURPNOKDAARXQO-WOJBJXKFSA-N 2 1 347.547 3.211 20 30 EGEDMP C=CCn1ccc2c1nc[nH+]c2NCC1C[NH+](Cc2ccccc2)C1 ZINC001165427393 1383293851 /nfs/dbraw/zinc/29/38/51/1383293851.db2.gz PCXAXSHQBKMUCG-UHFFFAOYSA-N 2 1 333.439 3.161 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793463 1383478412 /nfs/dbraw/zinc/47/84/12/1383478412.db2.gz PMESWQGFHDGXCR-RTBURBONSA-N 2 1 349.563 3.339 20 30 EGEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001167694849 1383713138 /nfs/dbraw/zinc/71/31/38/1383713138.db2.gz XONTZBLXMNKVBI-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)[C@H]2CC ZINC001169129177 1384110877 /nfs/dbraw/zinc/11/08/77/1384110877.db2.gz HMZDAAYSBVWOKS-RVDAZCDBSA-N 2 1 345.531 3.033 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)[C@H]2CC ZINC001169129177 1384110878 /nfs/dbraw/zinc/11/08/78/1384110878.db2.gz HMZDAAYSBVWOKS-RVDAZCDBSA-N 2 1 345.531 3.033 20 30 EGEDMP C=CCN1C(=O)CC[C@]12CCC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)[C@H]2CC ZINC001169129177 1384110883 /nfs/dbraw/zinc/11/08/83/1384110883.db2.gz HMZDAAYSBVWOKS-RVDAZCDBSA-N 2 1 345.531 3.033 20 30 EGEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001169142173 1384112824 /nfs/dbraw/zinc/11/28/24/1384112824.db2.gz AIUJHBDPSCPWSM-YDZRNGNQSA-N 2 1 325.456 3.027 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001169142173 1384112826 /nfs/dbraw/zinc/11/28/26/1384112826.db2.gz AIUJHBDPSCPWSM-YDZRNGNQSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001169142173 1384112828 /nfs/dbraw/zinc/11/28/28/1384112828.db2.gz AIUJHBDPSCPWSM-YDZRNGNQSA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](Oc3ccccc3C#N)C1)C2 ZINC001169142173 1384112831 /nfs/dbraw/zinc/11/28/31/1384112831.db2.gz AIUJHBDPSCPWSM-YDZRNGNQSA-N 2 1 325.456 3.027 20 30 EGEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144604 1384114020 /nfs/dbraw/zinc/11/40/20/1384114020.db2.gz KKKWEZOKJAJREN-DMUMMCEESA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144604 1384114021 /nfs/dbraw/zinc/11/40/21/1384114021.db2.gz KKKWEZOKJAJREN-DMUMMCEESA-N 2 1 325.456 3.027 20 30 EGEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](Oc3cccc(C#N)c3)C1)C2 ZINC001169144604 1384114022 /nfs/dbraw/zinc/11/40/22/1384114022.db2.gz KKKWEZOKJAJREN-DMUMMCEESA-N 2 1 325.456 3.027 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171237556 1384476632 /nfs/dbraw/zinc/47/66/32/1384476632.db2.gz QVYWVKZARKBWOJ-RBUKOAKNSA-N 2 1 337.552 3.195 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171238692 1384477009 /nfs/dbraw/zinc/47/70/09/1384477009.db2.gz YHPCFTVZVNGDFE-RTBURBONSA-N 2 1 337.552 3.195 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001171245706 1384477254 /nfs/dbraw/zinc/47/72/54/1384477254.db2.gz BDUVYOKYTJYSBE-OALUTQOASA-N 2 1 337.552 3.480 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001171585660 1384572499 /nfs/dbraw/zinc/57/24/99/1384572499.db2.gz ADFATMSXYDTUPD-DLBZAZTESA-N 2 1 325.541 3.336 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001171646097 1384591431 /nfs/dbraw/zinc/59/14/31/1384591431.db2.gz IVIQKQHGAIMYDG-RBUKOAKNSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001176111125 1385487000 /nfs/dbraw/zinc/48/70/00/1385487000.db2.gz GGQHOKZCTWRZBY-OALUTQOASA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176167326 1385500952 /nfs/dbraw/zinc/50/09/52/1385500952.db2.gz XWDKNNVANIEOGM-MOPGFXCFSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001176268901 1385532290 /nfs/dbraw/zinc/53/22/90/1385532290.db2.gz OAJVGYRSFFZSCV-QZTJIDSGSA-N 2 1 325.541 3.338 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001176820639 1385713138 /nfs/dbraw/zinc/71/31/38/1385713138.db2.gz SJNSNIYJJFRKPX-IBGZPJMESA-N 2 1 345.531 3.349 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001176820639 1385713141 /nfs/dbraw/zinc/71/31/41/1385713141.db2.gz SJNSNIYJJFRKPX-IBGZPJMESA-N 2 1 345.531 3.349 20 30 EGEDMP C=C(C)CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001177348605 1385924440 /nfs/dbraw/zinc/92/44/40/1385924440.db2.gz KMDDUCMJRLPKAY-HXUWFJFHSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527514 1386242013 /nfs/dbraw/zinc/24/20/13/1386242013.db2.gz NTCLXVMLOKMJEN-GBESFXJTSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC001178705182 1386284113 /nfs/dbraw/zinc/28/41/13/1386284113.db2.gz HHCJIYSATNZWOS-UHFFFAOYSA-N 2 1 337.552 3.483 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001178920993 1386349155 /nfs/dbraw/zinc/34/91/55/1386349155.db2.gz QEVKNQRNQDTERL-LJQANCHMSA-N 2 1 337.552 3.339 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001179383305 1386468866 /nfs/dbraw/zinc/46/88/66/1386468866.db2.gz SMYPCMAHORKEIV-FHWLQOOXSA-N 2 1 337.552 3.338 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001179776976 1386581588 /nfs/dbraw/zinc/58/15/88/1386581588.db2.gz LKKJHAPWIHXSBG-SJORKVTESA-N 2 1 334.508 3.209 20 30 EGEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788014 1386585563 /nfs/dbraw/zinc/58/55/63/1386585563.db2.gz JBUMRLDILKEQIH-RBUKOAKNSA-N 2 1 335.536 3.236 20 30 EGEDMP C=CCCCCC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001180060479 1386683027 /nfs/dbraw/zinc/68/30/27/1386683027.db2.gz DGXSZLVQXUCHPC-IBGZPJMESA-N 2 1 337.552 3.341 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001180372910 1386777456 /nfs/dbraw/zinc/77/74/56/1386777456.db2.gz NFQXNUWIDULKII-OALUTQOASA-N 2 1 337.552 3.482 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001180451734 1386801156 /nfs/dbraw/zinc/80/11/56/1386801156.db2.gz HQJURMFLQRHGAC-UHFFFAOYSA-N 2 1 345.531 3.351 20 30 EGEDMP C=CCCC[NH2+]CCCCCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001180451734 1386801165 /nfs/dbraw/zinc/80/11/65/1386801165.db2.gz HQJURMFLQRHGAC-UHFFFAOYSA-N 2 1 345.531 3.351 20 30 EGEDMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001752508264 1440189826 /nfs/dbraw/zinc/18/98/26/1440189826.db2.gz PMRSSAGSZTYGNH-ZWKOTPCHSA-N 2 1 346.519 3.143 20 30 EGEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001752508264 1440189827 /nfs/dbraw/zinc/18/98/27/1440189827.db2.gz PMRSSAGSZTYGNH-ZWKOTPCHSA-N 2 1 346.519 3.143 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001752538177 1440194301 /nfs/dbraw/zinc/19/43/01/1440194301.db2.gz FDURBYGZNITUGB-HAGHYFMRSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001752538177 1440194302 /nfs/dbraw/zinc/19/43/02/1440194302.db2.gz FDURBYGZNITUGB-HAGHYFMRSA-N 2 1 347.547 3.137 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001752538177 1440194303 /nfs/dbraw/zinc/19/43/03/1440194303.db2.gz FDURBYGZNITUGB-HAGHYFMRSA-N 2 1 347.547 3.137 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001752835102 1440227373 /nfs/dbraw/zinc/22/73/73/1440227373.db2.gz BETFXRHMQGFDHE-OALUTQOASA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001752999002 1440263562 /nfs/dbraw/zinc/26/35/62/1440263562.db2.gz QMOQRAQWSQPURX-FQEVSTJZSA-N 2 1 349.563 3.388 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001753157672 1440331718 /nfs/dbraw/zinc/33/17/18/1440331718.db2.gz SPWMFVNAIIGJEA-OAHLLOKOSA-N 2 1 340.471 3.192 20 30 EGEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001753332152 1440370076 /nfs/dbraw/zinc/37/00/76/1440370076.db2.gz JBXUWUINDCDDKT-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001753332152 1440370077 /nfs/dbraw/zinc/37/00/77/1440370077.db2.gz JBXUWUINDCDDKT-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753332152 1440370078 /nfs/dbraw/zinc/37/00/78/1440370078.db2.gz JBXUWUINDCDDKT-AZUAARDMSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001753426238 1440396830 /nfs/dbraw/zinc/39/68/30/1440396830.db2.gz RUJZIYFYIPJMAU-PMACEKPBSA-N 2 1 349.563 3.362 20 30 EGEDMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001753547711 1440434544 /nfs/dbraw/zinc/43/45/44/1440434544.db2.gz HCEBDAMGFQEMNA-UYAOXDASSA-N 2 1 347.547 3.188 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001754578963 1440638339 /nfs/dbraw/zinc/63/83/39/1440638339.db2.gz YUIBTXBNTSIVPW-MJGOQNOKSA-N 2 1 335.536 3.116 20 30 EGEDMP CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001754578963 1440638340 /nfs/dbraw/zinc/63/83/40/1440638340.db2.gz YUIBTXBNTSIVPW-MJGOQNOKSA-N 2 1 335.536 3.116 20 30 EGEDMP C=CCCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001754661841 1440655160 /nfs/dbraw/zinc/65/51/60/1440655160.db2.gz MQIVXDHAAYUNDV-NRFANRHFSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001754661841 1440655161 /nfs/dbraw/zinc/65/51/61/1440655161.db2.gz MQIVXDHAAYUNDV-NRFANRHFSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001754661841 1440655162 /nfs/dbraw/zinc/65/51/62/1440655162.db2.gz MQIVXDHAAYUNDV-NRFANRHFSA-N 2 1 349.563 3.389 20 30 EGEDMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001754717819 1440672081 /nfs/dbraw/zinc/67/20/81/1440672081.db2.gz GEIRFBVWGHYNOW-IBGZPJMESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001754731725 1440679782 /nfs/dbraw/zinc/67/97/82/1440679782.db2.gz XFLRIEDCNJLKNS-PZJWPPBQSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001754921647 1440709318 /nfs/dbraw/zinc/70/93/18/1440709318.db2.gz VJWSCQVTHLXOCV-QGZVFWFLSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001755030921 1440731430 /nfs/dbraw/zinc/73/14/30/1440731430.db2.gz KIMDZVDFEAKZBT-QUCCMNQESA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001755452774 1440854335 /nfs/dbraw/zinc/85/43/35/1440854335.db2.gz SZTSLBWPLIKCGP-ZCNNSNEGSA-N 2 1 347.547 3.045 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001755460463 1440857237 /nfs/dbraw/zinc/85/72/37/1440857237.db2.gz HVQVRDJWBAHEKJ-OYRHEFFESA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001755460463 1440857238 /nfs/dbraw/zinc/85/72/38/1440857238.db2.gz HVQVRDJWBAHEKJ-OYRHEFFESA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001755460463 1440857239 /nfs/dbraw/zinc/85/72/39/1440857239.db2.gz HVQVRDJWBAHEKJ-OYRHEFFESA-N 2 1 349.563 3.243 20 30 EGEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1(C)C ZINC001755763295 1440915445 /nfs/dbraw/zinc/91/54/45/1440915445.db2.gz QLBGGPXWJWHUKC-RBUKOAKNSA-N 2 1 343.515 3.082 20 30 EGEDMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001755764687 1440915895 /nfs/dbraw/zinc/91/58/95/1440915895.db2.gz XZXRZWNCDSSHAO-ROUUACIJSA-N 2 1 335.536 3.042 20 30 EGEDMP C[N@@H+](Cc1cc(C#N)cs1)C1CCN(CCC(F)(F)F)CC1 ZINC000449784784 267310781 /nfs/dbraw/zinc/31/07/81/267310781.db2.gz CNXVQWMIFWJJJH-UHFFFAOYSA-N 2 1 331.407 3.468 20 30 EGEDMP CN(Cc1cc(C#N)cs1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449784784 267310783 /nfs/dbraw/zinc/31/07/83/267310783.db2.gz CNXVQWMIFWJJJH-UHFFFAOYSA-N 2 1 331.407 3.468 20 30 EGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C#N)cs3)CC2)oc1C ZINC000177699628 323344839 /nfs/dbraw/zinc/34/48/39/323344839.db2.gz JQEDMVPILKYXRL-UHFFFAOYSA-N 2 1 344.484 3.226 20 30 EGEDMP CC(C)(CCC#N)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000180987550 455272980 /nfs/dbraw/zinc/27/29/80/455272980.db2.gz CXDNFSSBPXVRDL-LJQANCHMSA-N 2 1 329.488 3.063 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cccs2)CC1 ZINC000093964034 454181721 /nfs/dbraw/zinc/18/17/21/454181721.db2.gz ZLMHNJDWNXZRRU-UHFFFAOYSA-N 2 1 330.501 3.279 20 30 EGEDMP N#Cc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134865978 454599439 /nfs/dbraw/zinc/59/94/39/454599439.db2.gz IYFSQOMQRFLDET-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134865978 454599444 /nfs/dbraw/zinc/59/94/44/454599444.db2.gz IYFSQOMQRFLDET-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134865978 454599448 /nfs/dbraw/zinc/59/94/48/454599448.db2.gz IYFSQOMQRFLDET-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP N#Cc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134865978 454599451 /nfs/dbraw/zinc/59/94/51/454599451.db2.gz IYFSQOMQRFLDET-NQIIRXRSSA-N 2 1 339.483 3.276 20 30 EGEDMP C=C(C)COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC ZINC000093089376 454679837 /nfs/dbraw/zinc/67/98/37/454679837.db2.gz NUPXHQRBTAKVCU-UHFFFAOYSA-N 2 1 332.488 3.424 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000191495825 455491071 /nfs/dbraw/zinc/49/10/71/455491071.db2.gz JTWXDZLBKVYOLT-UHFFFAOYSA-N 2 1 326.444 3.238 20 30 EGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000191495825 455491076 /nfs/dbraw/zinc/49/10/76/455491076.db2.gz JTWXDZLBKVYOLT-UHFFFAOYSA-N 2 1 326.444 3.238 20 30 EGEDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(OCCCC#N)c3)CC[C@H]21 ZINC000252802545 455830227 /nfs/dbraw/zinc/83/02/27/455830227.db2.gz PHJARDOJFWBHDH-AZUAARDMSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)CC[C@H]21 ZINC000252802545 455830233 /nfs/dbraw/zinc/83/02/33/455830233.db2.gz PHJARDOJFWBHDH-AZUAARDMSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)CC[C@H]21 ZINC000252802545 455830235 /nfs/dbraw/zinc/83/02/35/455830235.db2.gz PHJARDOJFWBHDH-AZUAARDMSA-N 2 1 327.472 3.285 20 30 EGEDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000289481477 456127543 /nfs/dbraw/zinc/12/75/43/456127543.db2.gz QMWKIIWBFVEEGW-UHFFFAOYSA-N 2 1 333.476 3.151 20 30 EGEDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000289481477 456127554 /nfs/dbraw/zinc/12/75/54/456127554.db2.gz QMWKIIWBFVEEGW-UHFFFAOYSA-N 2 1 333.476 3.151 20 30 EGEDMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCCCC#N ZINC000290525662 456353103 /nfs/dbraw/zinc/35/31/03/456353103.db2.gz QHXJEBAJYIJKRI-AEFFLSMTSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCCCC#N ZINC000290525662 456353109 /nfs/dbraw/zinc/35/31/09/456353109.db2.gz QHXJEBAJYIJKRI-AEFFLSMTSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OCCCC#N ZINC000290525662 456353111 /nfs/dbraw/zinc/35/31/11/456353111.db2.gz QHXJEBAJYIJKRI-AEFFLSMTSA-N 2 1 345.487 3.150 20 30 EGEDMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OCCCC#N ZINC000290525662 456353114 /nfs/dbraw/zinc/35/31/14/456353114.db2.gz QHXJEBAJYIJKRI-AEFFLSMTSA-N 2 1 345.487 3.150 20 30 EGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)[C@H](C)C1 ZINC000353278534 456605405 /nfs/dbraw/zinc/60/54/05/456605405.db2.gz RAZFMDKDMFURPU-CZAAIQMYSA-N 2 1 341.499 3.272 20 30 EGEDMP Cc1ncc2n1CC[C@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000329499608 456900730 /nfs/dbraw/zinc/90/07/30/456900730.db2.gz HCEVVFMUGGNQIF-DLTWYDFYSA-N 2 1 332.492 3.077 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000329499608 456900734 /nfs/dbraw/zinc/90/07/34/456900734.db2.gz HCEVVFMUGGNQIF-DLTWYDFYSA-N 2 1 332.492 3.077 20 30 EGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C2 ZINC000329499608 456900737 /nfs/dbraw/zinc/90/07/37/456900737.db2.gz HCEVVFMUGGNQIF-DLTWYDFYSA-N 2 1 332.492 3.077 20 30 EGEDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCCCC#N ZINC000360094899 457253029 /nfs/dbraw/zinc/25/30/29/457253029.db2.gz ASWCIRVGYQMDDK-MSOLQXFVSA-N 2 1 343.471 3.094 20 30 EGEDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCCCC#N ZINC000360094899 457253035 /nfs/dbraw/zinc/25/30/35/457253035.db2.gz ASWCIRVGYQMDDK-MSOLQXFVSA-N 2 1 343.471 3.094 20 30 EGEDMP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000363581931 457371570 /nfs/dbraw/zinc/37/15/70/457371570.db2.gz BRORXMJTACVJLJ-MSOLQXFVSA-N 2 1 330.472 3.367 20 30 EGEDMP C=C(C)COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000363581931 457371573 /nfs/dbraw/zinc/37/15/73/457371573.db2.gz BRORXMJTACVJLJ-MSOLQXFVSA-N 2 1 330.472 3.367 20 30 EGEDMP N#CC1(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCOCC1 ZINC000375600677 457985588 /nfs/dbraw/zinc/98/55/88/457985588.db2.gz ZGULYWXSSNJTOO-HKUYNNGSSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000375600677 457985593 /nfs/dbraw/zinc/98/55/93/457985593.db2.gz ZGULYWXSSNJTOO-HKUYNNGSSA-N 2 1 331.504 3.036 20 30 EGEDMP N#CC1(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCOCC1 ZINC000375600677 457985599 /nfs/dbraw/zinc/98/55/99/457985599.db2.gz ZGULYWXSSNJTOO-HKUYNNGSSA-N 2 1 331.504 3.036 20 30 EGEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133354 458014763 /nfs/dbraw/zinc/01/47/63/458014763.db2.gz IUAAJHIXWVFONT-AZUAARDMSA-N 2 1 327.472 3.285 20 30 EGEDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(OCCCC#N)c2)C1 ZINC000368133354 458014767 /nfs/dbraw/zinc/01/47/67/458014767.db2.gz IUAAJHIXWVFONT-AZUAARDMSA-N 2 1 327.472 3.285 20 30 EGEDMP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000436289616 458284519 /nfs/dbraw/zinc/28/45/19/458284519.db2.gz XSMPSKYKVYMBJO-LMYCIYFBSA-N 2 1 340.511 3.468 20 30 EGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000495962087 459020256 /nfs/dbraw/zinc/02/02/56/459020256.db2.gz OMSVUGYEFHUFQD-INIZCTEOSA-N 2 1 339.524 3.023 20 30 EGEDMP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC000559786948 459277638 /nfs/dbraw/zinc/27/76/38/459277638.db2.gz LFGVREKGCVLVTG-PZJWPPBQSA-N 2 1 335.451 3.362 20 30 EGEDMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)C[C@@H]1c1ccccc1 ZINC000559786948 459277640 /nfs/dbraw/zinc/27/76/40/459277640.db2.gz LFGVREKGCVLVTG-PZJWPPBQSA-N 2 1 335.451 3.362 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000602511756 459976927 /nfs/dbraw/zinc/97/69/27/459976927.db2.gz KMSICBAYLJSHDI-GOSISDBHSA-N 2 1 329.488 3.197 20 30 EGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000602647206 460041742 /nfs/dbraw/zinc/04/17/42/460041742.db2.gz WWBMDQQCYNFUNI-MJGOQNOKSA-N 2 1 333.520 3.472 20 30 EGEDMP N#CCC[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccccc1 ZINC000601964627 460963644 /nfs/dbraw/zinc/96/36/44/460963644.db2.gz JMZZYTMMHCEQML-YADHBBJMSA-N 2 1 349.478 3.258 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000152983387 526606738 /nfs/dbraw/zinc/60/67/38/526606738.db2.gz ZIYCPFSZYYDYOW-OAHLLOKOSA-N 2 1 348.487 3.404 20 30 EGEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000113311172 1293146714 /nfs/dbraw/zinc/14/67/14/1293146714.db2.gz NERSMOVNDMKPPE-UHFFFAOYSA-N 2 1 334.463 3.453 20 30 EGEDMP C=CCc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c(OC)c1 ZINC000164409148 1294347343 /nfs/dbraw/zinc/34/73/43/1294347343.db2.gz BTQOORRWSCNVPG-GOSISDBHSA-N 2 1 344.499 3.437 20 30 EGEDMP C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1O ZINC000164533029 1294350340 /nfs/dbraw/zinc/35/03/40/1294350340.db2.gz POKRFZXOQHGBBZ-APWZRJJASA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1O ZINC000164533029 1294350344 /nfs/dbraw/zinc/35/03/44/1294350344.db2.gz POKRFZXOQHGBBZ-APWZRJJASA-N 2 1 330.472 3.045 20 30 EGEDMP C=CCc1cc(OC)cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1O ZINC000164533029 1294350349 /nfs/dbraw/zinc/35/03/49/1294350349.db2.gz POKRFZXOQHGBBZ-APWZRJJASA-N 2 1 330.472 3.045 20 30 EGEDMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(O[C@H](C#N)CC)c2)CC1 ZINC000183257038 1295106934 /nfs/dbraw/zinc/10/69/34/1295106934.db2.gz XACICGQVSILYPI-SFHVURJKSA-N 2 1 345.487 3.340 20 30 EGEDMP CCc1cccc(CC)c1NC(=[NH2+])NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303772005 1296848862 /nfs/dbraw/zinc/84/88/62/1296848862.db2.gz DGNYTXLHYQKUAM-IYBDPMFKSA-N 2 1 346.519 3.037 20 30 EGEDMP CN(C)C(=[NH+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)N(C)C ZINC000303874240 1296864910 /nfs/dbraw/zinc/86/49/10/1296864910.db2.gz HBBZLPYBZSIRQD-UHFFFAOYSA-N 2 1 330.520 3.430 20 30 EGEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000303897679 1296874976 /nfs/dbraw/zinc/87/49/76/1296874976.db2.gz QTXMAPHPIIEXKS-UHFFFAOYSA-N 2 1 336.483 3.478 20 30 EGEDMP CC[N@@H+](CCNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000303977031 1296885636 /nfs/dbraw/zinc/88/56/36/1296885636.db2.gz KRXOPVOIAKWQGU-NSHDSACASA-N 2 1 343.302 3.443 20 30 EGEDMP CCNC(NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)=[NH+]CC ZINC000305692907 1297024475 /nfs/dbraw/zinc/02/44/75/1297024475.db2.gz QRNVWMAYRCISNS-XJKSGUPXSA-N 2 1 340.874 3.047 20 30 EGEDMP N#CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749516430 1299229667 /nfs/dbraw/zinc/22/96/67/1299229667.db2.gz VSAITLJODLWPAV-PXNSSMCTSA-N 2 1 325.456 3.038 20 30 EGEDMP N#CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000749516430 1299229684 /nfs/dbraw/zinc/22/96/84/1299229684.db2.gz VSAITLJODLWPAV-PXNSSMCTSA-N 2 1 325.456 3.038 20 30 EGEDMP N#CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000749516430 1299229695 /nfs/dbraw/zinc/22/96/95/1299229695.db2.gz VSAITLJODLWPAV-PXNSSMCTSA-N 2 1 325.456 3.038 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957561607 1317458641 /nfs/dbraw/zinc/45/86/41/1317458641.db2.gz WLRDCHGNUQUGCY-UHFFFAOYSA-N 2 1 347.547 3.142 20 30 EGEDMP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cc1 ZINC000809605771 1317841977 /nfs/dbraw/zinc/84/19/77/1317841977.db2.gz IIDADJWGMBYBRN-UHFFFAOYSA-N 2 1 347.506 3.095 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023395958 1319502280 /nfs/dbraw/zinc/50/22/80/1319502280.db2.gz NUEXDPHGLCHYFT-INIZCTEOSA-N 2 1 349.544 3.218 20 30 EGEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(C#N)ccc1Br ZINC000921686283 1322377911 /nfs/dbraw/zinc/37/79/11/1322377911.db2.gz QEVIUXQSUDQIJX-GFCCVEGCSA-N 2 1 347.260 3.252 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241562 1324035461 /nfs/dbraw/zinc/03/54/61/1324035461.db2.gz YNAKGCFXLPSVBF-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241562 1324035465 /nfs/dbraw/zinc/03/54/65/1324035465.db2.gz YNAKGCFXLPSVBF-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241562 1324035471 /nfs/dbraw/zinc/03/54/71/1324035471.db2.gz YNAKGCFXLPSVBF-PMACEKPBSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025241565 1324036046 /nfs/dbraw/zinc/03/60/46/1324036046.db2.gz YNAKGCFXLPSVBF-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241565 1324036049 /nfs/dbraw/zinc/03/60/49/1324036049.db2.gz YNAKGCFXLPSVBF-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025241565 1324036055 /nfs/dbraw/zinc/03/60/55/1324036055.db2.gz YNAKGCFXLPSVBF-WOJBJXKFSA-N 2 1 347.547 3.282 20 30 EGEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025275542 1324095099 /nfs/dbraw/zinc/09/50/99/1324095099.db2.gz XYNDWQPLQLMRSG-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001025275542 1324095106 /nfs/dbraw/zinc/09/51/06/1324095106.db2.gz XYNDWQPLQLMRSG-MSOLQXFVSA-N 2 1 344.503 3.038 20 30 EGEDMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001025631329 1324483677 /nfs/dbraw/zinc/48/36/77/1324483677.db2.gz ZLKAWWQIFPKPHQ-IRXDYDNUSA-N 2 1 347.503 3.138 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494312 1324846887 /nfs/dbraw/zinc/84/68/87/1324846887.db2.gz JQEIQWLSMSUUPA-VIQWUECVSA-N 2 1 347.547 3.234 20 30 EGEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001026494311 1324847048 /nfs/dbraw/zinc/84/70/48/1324847048.db2.gz JQEIQWLSMSUUPA-LMDPOFIKSA-N 2 1 347.547 3.234 20 30 EGEDMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(OCC#N)cc1 ZINC000853240669 1325070273 /nfs/dbraw/zinc/07/02/73/1325070273.db2.gz QMVROXWHDSWKRO-AEFFLSMTSA-N 2 1 327.472 3.362 20 30 EGEDMP C=C(C)CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963310253 1325094220 /nfs/dbraw/zinc/09/42/20/1325094220.db2.gz CVZQVRFSHKRMGW-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310253 1325094227 /nfs/dbraw/zinc/09/42/27/1325094227.db2.gz CVZQVRFSHKRMGW-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963310253 1325094234 /nfs/dbraw/zinc/09/42/34/1325094234.db2.gz CVZQVRFSHKRMGW-AZUAARDMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866260382 1330086867 /nfs/dbraw/zinc/08/68/67/1330086867.db2.gz FYXSHVWPTUBYEQ-AWEZNQCLSA-N 2 1 335.423 3.295 20 30 EGEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647904 1333611109 /nfs/dbraw/zinc/61/11/09/1333611109.db2.gz NFKGFFNTVNWOFW-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000948829059 1333700742 /nfs/dbraw/zinc/70/07/42/1333700742.db2.gz CKZORKKYHCUYRP-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968674928 1336005858 /nfs/dbraw/zinc/00/58/58/1336005858.db2.gz WADVDMZNILIWQG-XLIONFOSSA-N 2 1 343.515 3.155 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156489 1336165900 /nfs/dbraw/zinc/16/59/00/1336165900.db2.gz UFOHBJRMDLWVGM-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156489 1336165902 /nfs/dbraw/zinc/16/59/02/1336165902.db2.gz UFOHBJRMDLWVGM-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156489 1336165903 /nfs/dbraw/zinc/16/59/03/1336165903.db2.gz UFOHBJRMDLWVGM-OALUTQOASA-N 2 1 335.536 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969681926 1336236546 /nfs/dbraw/zinc/23/65/46/1336236546.db2.gz SBMNAQJBNALRPZ-QZTJIDSGSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001006280228 1336481199 /nfs/dbraw/zinc/48/11/99/1336481199.db2.gz WTIGGQFZDAVHFW-IBGZPJMESA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016660792 1338682544 /nfs/dbraw/zinc/68/25/44/1338682544.db2.gz BMWCOJVKTLVPPO-MOPGFXCFSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001034051372 1342192780 /nfs/dbraw/zinc/19/27/80/1342192780.db2.gz WARZLGZGLHXCGB-QGZVFWFLSA-N 2 1 347.503 3.234 20 30 EGEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035233704 1343056108 /nfs/dbraw/zinc/05/61/08/1343056108.db2.gz KJIHNHFTHFQIRU-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233704 1343056109 /nfs/dbraw/zinc/05/61/09/1343056109.db2.gz KJIHNHFTHFQIRU-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C(C)C)CC2 ZINC001035233704 1343056113 /nfs/dbraw/zinc/05/61/13/1343056113.db2.gz KJIHNHFTHFQIRU-LJQANCHMSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001036096727 1343311710 /nfs/dbraw/zinc/31/17/10/1343311710.db2.gz PQJYVXLFPNZGRZ-SJLPKXTDSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036716920 1343649156 /nfs/dbraw/zinc/64/91/56/1343649156.db2.gz NQWBVFLZRZSMAE-OALUTQOASA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001039283260 1344995737 /nfs/dbraw/zinc/99/57/37/1344995737.db2.gz PDQJALDEVKYJIL-OOKSDGMUSA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039288782 1344998173 /nfs/dbraw/zinc/99/81/73/1344998173.db2.gz HHYPSQVRQOAKCG-YGFFAISXSA-N 2 1 347.547 3.327 20 30 EGEDMP C=CCC[NH+]1CC[C@H]2CCN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]21 ZINC001042125236 1345950289 /nfs/dbraw/zinc/95/02/89/1345950289.db2.gz QHHSROGOKLLDLG-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125236 1345950290 /nfs/dbraw/zinc/95/02/90/1345950290.db2.gz QHHSROGOKLLDLG-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]21 ZINC001042125236 1345950291 /nfs/dbraw/zinc/95/02/91/1345950291.db2.gz QHHSROGOKLLDLG-PKOBYXMFSA-N 2 1 347.547 3.138 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045948464 1346783432 /nfs/dbraw/zinc/78/34/32/1346783432.db2.gz JYVRHTNANYBFOT-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948464 1346783434 /nfs/dbraw/zinc/78/34/34/1346783434.db2.gz JYVRHTNANYBFOT-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045948464 1346783438 /nfs/dbraw/zinc/78/34/38/1346783438.db2.gz JYVRHTNANYBFOT-TZIWHRDSSA-N 2 1 347.547 3.142 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046319409 1346933624 /nfs/dbraw/zinc/93/36/24/1346933624.db2.gz RJMJSNZCVYUKQK-NQIIRXRSSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046319409 1346933626 /nfs/dbraw/zinc/93/36/26/1346933626.db2.gz RJMJSNZCVYUKQK-NQIIRXRSSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046319409 1346933628 /nfs/dbraw/zinc/93/36/28/1346933628.db2.gz RJMJSNZCVYUKQK-NQIIRXRSSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001049526540 1347893320 /nfs/dbraw/zinc/89/33/20/1347893320.db2.gz VQQDXNAVRNXZNO-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001049526540 1347893324 /nfs/dbraw/zinc/89/33/24/1347893324.db2.gz VQQDXNAVRNXZNO-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001049526540 1347893326 /nfs/dbraw/zinc/89/33/26/1347893326.db2.gz VQQDXNAVRNXZNO-ZCNNSNEGSA-N 2 1 345.531 3.035 20 30 EGEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001049560917 1347910494 /nfs/dbraw/zinc/91/04/94/1347910494.db2.gz BSAMZLKDMNASOB-RBUKOAKNSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049560917 1347910496 /nfs/dbraw/zinc/91/04/96/1347910496.db2.gz BSAMZLKDMNASOB-RBUKOAKNSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001049560917 1347910499 /nfs/dbraw/zinc/91/04/99/1347910499.db2.gz BSAMZLKDMNASOB-RBUKOAKNSA-N 2 1 347.547 3.281 20 30 EGEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001049913516 1348108940 /nfs/dbraw/zinc/10/89/40/1348108940.db2.gz ZFDIYKBPBLBMLS-PMACEKPBSA-N 2 1 341.499 3.003 20 30 EGEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC001052381178 1348536771 /nfs/dbraw/zinc/53/67/71/1348536771.db2.gz LVJGBTJUKQFATB-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001052381178 1348536774 /nfs/dbraw/zinc/53/67/74/1348536774.db2.gz LVJGBTJUKQFATB-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001052381178 1348536776 /nfs/dbraw/zinc/53/67/76/1348536776.db2.gz LVJGBTJUKQFATB-RBUKOAKNSA-N 2 1 347.547 3.188 20 30 EGEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001054156382 1349159888 /nfs/dbraw/zinc/15/98/88/1349159888.db2.gz NZIUREBZOPGOFD-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156382 1349159890 /nfs/dbraw/zinc/15/98/90/1349159890.db2.gz NZIUREBZOPGOFD-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001054156382 1349159893 /nfs/dbraw/zinc/15/98/93/1349159893.db2.gz NZIUREBZOPGOFD-NRFANRHFSA-N 2 1 347.547 3.140 20 30 EGEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001183129202 1387266684 /nfs/dbraw/zinc/26/66/84/1387266684.db2.gz MMUPCSQERQBRHO-SVFBPWRDSA-N 2 1 349.563 3.291 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001085918988 1358878163 /nfs/dbraw/zinc/87/81/63/1358878163.db2.gz QKQYELVEHPKBIC-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918988 1358878165 /nfs/dbraw/zinc/87/81/65/1358878165.db2.gz QKQYELVEHPKBIC-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001085918988 1358878166 /nfs/dbraw/zinc/87/81/66/1358878166.db2.gz QKQYELVEHPKBIC-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC(C)(C)C1 ZINC001089380559 1360383430 /nfs/dbraw/zinc/38/34/30/1360383430.db2.gz FWTMMINZNKTXEB-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089380559 1360383433 /nfs/dbraw/zinc/38/34/33/1360383433.db2.gz FWTMMINZNKTXEB-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089380559 1360383435 /nfs/dbraw/zinc/38/34/35/1360383435.db2.gz FWTMMINZNKTXEB-ZWKOTPCHSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC(C)(C)C1 ZINC001089424504 1360418033 /nfs/dbraw/zinc/41/80/33/1360418033.db2.gz WACGWXYPWJVZLD-INIZCTEOSA-N 2 1 340.471 3.049 20 30 EGEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509416 1360480795 /nfs/dbraw/zinc/48/07/95/1360480795.db2.gz BRTHLJJZKWKQJF-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC(C)(C)C1 ZINC001089509416 1360480798 /nfs/dbraw/zinc/48/07/98/1360480798.db2.gz BRTHLJJZKWKQJF-MOPGFXCFSA-N 2 1 349.563 3.432 20 30 EGEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089647766 1360560865 /nfs/dbraw/zinc/56/08/65/1360560865.db2.gz ZZWNVQAXKKUVPQ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089647766 1360560868 /nfs/dbraw/zinc/56/08/68/1360560868.db2.gz ZZWNVQAXKKUVPQ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089647766 1360560873 /nfs/dbraw/zinc/56/08/73/1360560873.db2.gz ZZWNVQAXKKUVPQ-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001089648531 1360561424 /nfs/dbraw/zinc/56/14/24/1360561424.db2.gz LYPHJZMGKVBNAP-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089648531 1360561427 /nfs/dbraw/zinc/56/14/27/1360561427.db2.gz LYPHJZMGKVBNAP-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001089648531 1360561430 /nfs/dbraw/zinc/56/14/30/1360561430.db2.gz LYPHJZMGKVBNAP-RTBURBONSA-N 2 1 349.563 3.434 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001089657937 1360569788 /nfs/dbraw/zinc/56/97/88/1360569788.db2.gz GFHNIHIEKOQMHW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001089657937 1360569792 /nfs/dbraw/zinc/56/97/92/1360569792.db2.gz GFHNIHIEKOQMHW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657937 1360569794 /nfs/dbraw/zinc/56/97/94/1360569794.db2.gz GFHNIHIEKOQMHW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001089657937 1360569797 /nfs/dbraw/zinc/56/97/97/1360569797.db2.gz GFHNIHIEKOQMHW-MSOLQXFVSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001089657942 1360569995 /nfs/dbraw/zinc/56/99/95/1360569995.db2.gz GFHNIHIEKOQMHW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001089657942 1360569998 /nfs/dbraw/zinc/56/99/98/1360569998.db2.gz GFHNIHIEKOQMHW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657942 1360570002 /nfs/dbraw/zinc/57/00/02/1360570002.db2.gz GFHNIHIEKOQMHW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001089657942 1360570005 /nfs/dbraw/zinc/57/00/05/1360570005.db2.gz GFHNIHIEKOQMHW-ZWKOTPCHSA-N 2 1 335.536 3.044 20 30 EGEDMP C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664146 1360574475 /nfs/dbraw/zinc/57/44/75/1360574475.db2.gz CRDSAKQHRCUINX-SFHVURJKSA-N 2 1 347.547 3.188 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676746 1361439550 /nfs/dbraw/zinc/43/95/50/1361439550.db2.gz KWAUVLQBWCBYOQ-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676746 1361439553 /nfs/dbraw/zinc/43/95/53/1361439553.db2.gz KWAUVLQBWCBYOQ-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676746 1361439556 /nfs/dbraw/zinc/43/95/56/1361439556.db2.gz KWAUVLQBWCBYOQ-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CC[NH2+][C@@H](C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1)C1CCCC1 ZINC001098822285 1363482719 /nfs/dbraw/zinc/48/27/19/1363482719.db2.gz YHZLJXLGUPULMG-QUCCMNQESA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099214185 1363694978 /nfs/dbraw/zinc/69/49/78/1363694978.db2.gz HTPMRNCBWACCSJ-SFHVURJKSA-N 2 1 337.552 3.291 20 30 EGEDMP C=CCCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099234003 1363705693 /nfs/dbraw/zinc/70/56/93/1363705693.db2.gz FUPJDXKUFPTCAC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234003 1363705696 /nfs/dbraw/zinc/70/56/96/1363705696.db2.gz FUPJDXKUFPTCAC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099234003 1363705699 /nfs/dbraw/zinc/70/56/99/1363705699.db2.gz FUPJDXKUFPTCAC-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001099251196 1363713705 /nfs/dbraw/zinc/71/37/05/1363713705.db2.gz HMUKVCVPFULZHE-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001099339318 1363759591 /nfs/dbraw/zinc/75/95/91/1363759591.db2.gz GNRWHIBHHARFFM-SFHVURJKSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001099353598 1363768628 /nfs/dbraw/zinc/76/86/28/1363768628.db2.gz CUHNXQHPWKZKFK-LJQANCHMSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001100535917 1364150651 /nfs/dbraw/zinc/15/06/51/1364150651.db2.gz ATLYDLQRQIOXMF-VIQWUECVSA-N 2 1 349.563 3.480 20 30 EGEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100858325 1364295314 /nfs/dbraw/zinc/29/53/14/1364295314.db2.gz PORGYQBERBETBZ-UUKMXZOPSA-N 2 1 343.515 3.130 20 30 EGEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185308476 1387677494 /nfs/dbraw/zinc/67/74/94/1387677494.db2.gz WLOOLXSLHIFEPR-IEBWSBKVSA-N 2 1 346.519 3.012 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101284963 1364498612 /nfs/dbraw/zinc/49/86/12/1364498612.db2.gz IUDCBJFXVMRXAV-NQIIRXRSSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284963 1364498614 /nfs/dbraw/zinc/49/86/14/1364498614.db2.gz IUDCBJFXVMRXAV-NQIIRXRSSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284963 1364498617 /nfs/dbraw/zinc/49/86/17/1364498617.db2.gz IUDCBJFXVMRXAV-NQIIRXRSSA-N 2 1 349.563 3.243 20 30 EGEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001101580371 1364633998 /nfs/dbraw/zinc/63/39/98/1364633998.db2.gz VGSLWLCTQHKRTO-IBGZPJMESA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001102044876 1364821881 /nfs/dbraw/zinc/82/18/81/1364821881.db2.gz IZPNULYOIHEEKE-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001102044876 1364821885 /nfs/dbraw/zinc/82/18/85/1364821885.db2.gz IZPNULYOIHEEKE-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001102044876 1364821889 /nfs/dbraw/zinc/82/18/89/1364821889.db2.gz IZPNULYOIHEEKE-GGPKGHCWSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102113180 1364864942 /nfs/dbraw/zinc/86/49/42/1364864942.db2.gz YSMXTLWDJUXANY-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102113180 1364864946 /nfs/dbraw/zinc/86/49/46/1364864946.db2.gz YSMXTLWDJUXANY-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102113180 1364864952 /nfs/dbraw/zinc/86/49/52/1364864952.db2.gz YSMXTLWDJUXANY-QZTJIDSGSA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428406 1365050249 /nfs/dbraw/zinc/05/02/49/1365050249.db2.gz BDFPWGLVVLJXBC-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428406 1365050252 /nfs/dbraw/zinc/05/02/52/1365050252.db2.gz BDFPWGLVVLJXBC-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987774 1365328600 /nfs/dbraw/zinc/32/86/00/1365328600.db2.gz QPMBXPWDJMHUNP-RTBURBONSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308638 1365486194 /nfs/dbraw/zinc/48/61/94/1365486194.db2.gz BPCITAZRNHGFJD-CEXWTWQISA-N 2 1 349.563 3.290 20 30 EGEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483583 1365590386 /nfs/dbraw/zinc/59/03/86/1365590386.db2.gz INXVIEGNLHGMHO-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103483583 1365590389 /nfs/dbraw/zinc/59/03/89/1365590389.db2.gz INXVIEGNLHGMHO-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103755288 1365766392 /nfs/dbraw/zinc/76/63/92/1365766392.db2.gz AHFOUGBRQFIQNH-AQNXPRMDSA-N 2 1 349.563 3.147 20 30 EGEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104752787 1366157693 /nfs/dbraw/zinc/15/76/93/1366157693.db2.gz LSPGNKAMXHXHAD-QZTJIDSGSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249784 1366633639 /nfs/dbraw/zinc/63/36/39/1366633639.db2.gz PTMTVDUIFGVSDE-QWFCFKBJSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106340366 1366660812 /nfs/dbraw/zinc/66/08/12/1366660812.db2.gz UJSAHKTVYUMTAQ-QZTJIDSGSA-N 2 1 337.552 3.147 20 30 EGEDMP CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449158 1367128253 /nfs/dbraw/zinc/12/82/53/1367128253.db2.gz IKHGTUFYSGYTLF-XWSJACJDSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449158 1367128258 /nfs/dbraw/zinc/12/82/58/1367128258.db2.gz IKHGTUFYSGYTLF-XWSJACJDSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001109449158 1367128262 /nfs/dbraw/zinc/12/82/62/1367128262.db2.gz IKHGTUFYSGYTLF-XWSJACJDSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109449158 1367128266 /nfs/dbraw/zinc/12/82/66/1367128266.db2.gz IKHGTUFYSGYTLF-XWSJACJDSA-N 2 1 335.536 3.163 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109465111 1367138654 /nfs/dbraw/zinc/13/86/54/1367138654.db2.gz MKTFBWUTJLWTJD-SQNIBIBYSA-N 2 1 337.552 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109465111 1367138659 /nfs/dbraw/zinc/13/86/59/1367138659.db2.gz MKTFBWUTJLWTJD-SQNIBIBYSA-N 2 1 337.552 3.409 20 30 EGEDMP CCCCCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109465111 1367138662 /nfs/dbraw/zinc/13/86/62/1367138662.db2.gz MKTFBWUTJLWTJD-SQNIBIBYSA-N 2 1 337.552 3.409 20 30 EGEDMP CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651274 1367264835 /nfs/dbraw/zinc/26/48/35/1367264835.db2.gz RQKWVZXCEWSANJ-SQNIBIBYSA-N 2 1 335.536 3.020 20 30 EGEDMP CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190443236 1367267675 /nfs/dbraw/zinc/26/76/75/1367267675.db2.gz GUWYYWRZSPLNPI-MSOLQXFVSA-N 2 1 343.531 3.169 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001191163188 1367436679 /nfs/dbraw/zinc/43/66/79/1367436679.db2.gz TWVQTBHGEBCDRZ-SFHVURJKSA-N 2 1 340.471 3.227 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191507822 1367517834 /nfs/dbraw/zinc/51/78/34/1367517834.db2.gz ONFZJWNJGZERLT-PMACEKPBSA-N 2 1 347.547 3.140 20 30 EGEDMP CCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108822151 1367619144 /nfs/dbraw/zinc/61/91/44/1367619144.db2.gz XSQBBACECRXLSB-FHWLQOOXSA-N 2 1 346.519 3.131 20 30 EGEDMP CCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001108830719 1367624443 /nfs/dbraw/zinc/62/44/43/1367624443.db2.gz VJOGABFMRAHCIL-OTWHNJEPSA-N 2 1 337.552 3.266 20 30 EGEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001192324184 1367750879 /nfs/dbraw/zinc/75/08/79/1367750879.db2.gz GEDOVHCMHKDXBP-RTBURBONSA-N 2 1 337.552 3.386 20 30 EGEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578364 1367845605 /nfs/dbraw/zinc/84/56/05/1367845605.db2.gz DCANWPDWTBTPGD-MLHJIOFPSA-N 2 1 344.503 3.084 20 30 EGEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001110578364 1367845610 /nfs/dbraw/zinc/84/56/10/1367845610.db2.gz DCANWPDWTBTPGD-MLHJIOFPSA-N 2 1 344.503 3.084 20 30 EGEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001111463327 1368311428 /nfs/dbraw/zinc/31/14/28/1368311428.db2.gz JXJRORSHLFOFFE-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001111463327 1368311432 /nfs/dbraw/zinc/31/14/32/1368311432.db2.gz JXJRORSHLFOFFE-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001111463327 1368311438 /nfs/dbraw/zinc/31/14/38/1368311438.db2.gz JXJRORSHLFOFFE-ZRNYENFQSA-N 2 1 347.547 3.329 20 30 EGEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001111460520 1368312030 /nfs/dbraw/zinc/31/20/30/1368312030.db2.gz XEXCXHLEGXMGGW-RLLQIKCJSA-N 2 1 341.499 3.050 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001111871930 1368519007 /nfs/dbraw/zinc/51/90/07/1368519007.db2.gz SAXCVYKNELTDHI-LQWHRVPQSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001111871930 1368519011 /nfs/dbraw/zinc/51/90/11/1368519011.db2.gz SAXCVYKNELTDHI-LQWHRVPQSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001111871930 1368519014 /nfs/dbraw/zinc/51/90/14/1368519014.db2.gz SAXCVYKNELTDHI-LQWHRVPQSA-N 2 1 347.547 3.044 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873067 1368519889 /nfs/dbraw/zinc/51/98/89/1368519889.db2.gz IPFXDCUAEZFEPC-WFXMLNOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873067 1368519891 /nfs/dbraw/zinc/51/98/91/1368519891.db2.gz IPFXDCUAEZFEPC-WFXMLNOXSA-N 2 1 349.563 3.290 20 30 EGEDMP C=CCC[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111873067 1368519894 /nfs/dbraw/zinc/51/98/94/1368519894.db2.gz IPFXDCUAEZFEPC-WFXMLNOXSA-N 2 1 349.563 3.290 20 30 EGEDMP CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060034 1368541074 /nfs/dbraw/zinc/54/10/74/1368541074.db2.gz FSQXYUKXEBIJQP-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060034 1368541080 /nfs/dbraw/zinc/54/10/80/1368541080.db2.gz FSQXYUKXEBIJQP-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP CCCCCCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001196060034 1368541083 /nfs/dbraw/zinc/54/10/83/1368541083.db2.gz FSQXYUKXEBIJQP-LJQANCHMSA-N 2 1 337.552 3.366 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950929 1368571099 /nfs/dbraw/zinc/57/10/99/1368571099.db2.gz KGUCMUVNNGSOSF-HBFSDRIKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950929 1368571101 /nfs/dbraw/zinc/57/11/01/1368571101.db2.gz KGUCMUVNNGSOSF-HBFSDRIKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950929 1368571103 /nfs/dbraw/zinc/57/11/03/1368571103.db2.gz KGUCMUVNNGSOSF-HBFSDRIKSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](CC(C)C)n2ccnc2)CC1 ZINC001196242119 1368574741 /nfs/dbraw/zinc/57/47/41/1368574741.db2.gz BPGSBLNRXRWGII-RTBURBONSA-N 2 1 346.519 3.359 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001197331861 1368790520 /nfs/dbraw/zinc/79/05/20/1368790520.db2.gz PARICMAIFWRLMN-RTBURBONSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001198258997 1368992571 /nfs/dbraw/zinc/99/25/71/1368992571.db2.gz IWLIIGNQGJRJRW-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198258997 1368992575 /nfs/dbraw/zinc/99/25/75/1368992575.db2.gz IWLIIGNQGJRJRW-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198258997 1368992579 /nfs/dbraw/zinc/99/25/79/1368992579.db2.gz IWLIIGNQGJRJRW-IBGZPJMESA-N 2 1 335.536 3.142 20 30 EGEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201231153 1369501079 /nfs/dbraw/zinc/50/10/79/1369501079.db2.gz ZGFJDQKAFPKQTN-WOJBJXKFSA-N 2 1 347.547 3.330 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400770 1369537005 /nfs/dbraw/zinc/53/70/05/1369537005.db2.gz UMKXIISBVFBKHQ-MJGOQNOKSA-N 2 1 335.536 3.042 20 30 EGEDMP CCCCCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001201776466 1369621889 /nfs/dbraw/zinc/62/18/89/1369621889.db2.gz DCGKFWLIPLZEKA-AABGKKOBSA-N 2 1 347.551 3.422 20 30 EGEDMP CCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001201776466 1369621891 /nfs/dbraw/zinc/62/18/91/1369621891.db2.gz DCGKFWLIPLZEKA-AABGKKOBSA-N 2 1 347.551 3.422 20 30 EGEDMP CCCCCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001201776466 1369621895 /nfs/dbraw/zinc/62/18/95/1369621895.db2.gz DCGKFWLIPLZEKA-AABGKKOBSA-N 2 1 347.551 3.422 20 30 EGEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)C12CCC2 ZINC001203507590 1370148995 /nfs/dbraw/zinc/14/89/95/1370148995.db2.gz TXGSYYHSSLVGAL-RBUKOAKNSA-N 2 1 349.563 3.482 20 30 EGEDMP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCCC1 ZINC001115545014 1370541918 /nfs/dbraw/zinc/54/19/18/1370541918.db2.gz MUMJWOSAYVXPIK-QGZVFWFLSA-N 2 1 346.519 3.381 20 30 EGEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205340100 1370726161 /nfs/dbraw/zinc/72/61/61/1370726161.db2.gz RNPXAMDFHXLUKX-KRWDZBQOSA-N 2 1 346.519 3.191 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457796 1370761547 /nfs/dbraw/zinc/76/15/47/1370761547.db2.gz QKRLYKCTWDBEPH-ICSRJNTNSA-N 2 1 349.563 3.147 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001206274308 1371010357 /nfs/dbraw/zinc/01/03/57/1371010357.db2.gz HWKSWOIEXFULSE-SFHVURJKSA-N 2 1 337.552 3.269 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001206481491 1371068495 /nfs/dbraw/zinc/06/84/95/1371068495.db2.gz ICMRHRKUGXACKY-UYAOXDASSA-N 2 1 349.563 3.432 20 30 EGEDMP CCCCCCC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001206890144 1371209787 /nfs/dbraw/zinc/20/97/87/1371209787.db2.gz AYKMBOQVILVIIE-UHFFFAOYSA-N 2 1 325.541 3.127 20 30 EGEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001207335814 1371364534 /nfs/dbraw/zinc/36/45/34/1371364534.db2.gz ACUPERVLEGJGLF-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207335814 1371364538 /nfs/dbraw/zinc/36/45/38/1371364538.db2.gz ACUPERVLEGJGLF-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207335814 1371364543 /nfs/dbraw/zinc/36/45/43/1371364543.db2.gz ACUPERVLEGJGLF-QRVBRYPASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130425 1371491835 /nfs/dbraw/zinc/49/18/35/1371491835.db2.gz ZMBHYOMOLYNPKN-GOSISDBHSA-N 2 1 335.536 3.093 20 30 EGEDMP C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC001120366310 1371550419 /nfs/dbraw/zinc/55/04/19/1371550419.db2.gz YTZYZUXSTCAKCH-ZWKOTPCHSA-N 2 1 344.503 3.012 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001208402161 1371754932 /nfs/dbraw/zinc/75/49/32/1371754932.db2.gz WNUPTYMZWVNTSZ-RLLQIKCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001208402161 1371754937 /nfs/dbraw/zinc/75/49/37/1371754937.db2.gz WNUPTYMZWVNTSZ-RLLQIKCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001208402161 1371754940 /nfs/dbraw/zinc/75/49/40/1371754940.db2.gz WNUPTYMZWVNTSZ-RLLQIKCJSA-N 2 1 347.547 3.186 20 30 EGEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001121616670 1372026635 /nfs/dbraw/zinc/02/66/35/1372026635.db2.gz NXHDPPNVPRHCLS-PMRGXDQWSA-N 2 1 347.547 3.092 20 30 EGEDMP O=C1C[NH2+]CC[C@H](OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001217828160 1373505181 /nfs/dbraw/zinc/50/51/81/1373505181.db2.gz NAAVTXIESFSBNY-SFHVURJKSA-N 2 1 342.484 3.061 20 30 EGEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001132140956 1375167520 /nfs/dbraw/zinc/16/75/20/1375167520.db2.gz NAWYHXRWCVLECQ-RDJZCZTQSA-N 2 1 340.471 3.192 20 30 EGEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[C@H]1C ZINC001132202181 1375205934 /nfs/dbraw/zinc/20/59/34/1375205934.db2.gz DLCPDWXMYJGNAD-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335183 1375315249 /nfs/dbraw/zinc/31/52/49/1375315249.db2.gz KPQLERXJIVIUJR-ZWKOTPCHSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001132335183 1375315253 /nfs/dbraw/zinc/31/52/53/1375315253.db2.gz KPQLERXJIVIUJR-ZWKOTPCHSA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001132391737 1375347064 /nfs/dbraw/zinc/34/70/64/1375347064.db2.gz CPROSAWWZASKHX-MJGOQNOKSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001132391735 1375347280 /nfs/dbraw/zinc/34/72/80/1375347280.db2.gz CPROSAWWZASKHX-HKUYNNGSSA-N 2 1 335.536 3.042 20 30 EGEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001227464736 1375433172 /nfs/dbraw/zinc/43/31/72/1375433172.db2.gz PIRAGXLKHCCCTQ-SJORKVTESA-N 2 1 346.519 3.332 20 30 EGEDMP C=CCCCCC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227877033 1375485877 /nfs/dbraw/zinc/48/58/77/1375485877.db2.gz NJLTUOOCWCXRQU-LJQANCHMSA-N 2 1 335.536 3.188 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132977205 1375690693 /nfs/dbraw/zinc/69/06/93/1375690693.db2.gz KNLDXRKYYGIZTH-PKOBYXMFSA-N 2 1 348.535 3.236 20 30 EGEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001228932758 1375720322 /nfs/dbraw/zinc/72/03/22/1375720322.db2.gz UZONZGXSOPJDKU-QRVBRYPASA-N 2 1 335.536 3.233 20 30 EGEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133122638 1375787934 /nfs/dbraw/zinc/78/79/34/1375787934.db2.gz SJKBNQXWIDMIPR-ROUUACIJSA-N 2 1 337.552 3.005 20 30 EGEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133319977 1375920707 /nfs/dbraw/zinc/92/07/07/1375920707.db2.gz WIPZRVXFNHXRAX-PKOBYXMFSA-N 2 1 348.535 3.236 20 30 EGEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230287002 1375984613 /nfs/dbraw/zinc/98/46/13/1375984613.db2.gz VVQVKJMKEDQIMK-VAMGGRTRSA-N 2 1 343.515 3.273 20 30 EGEDMP N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC001235969117 1376924139 /nfs/dbraw/zinc/92/41/39/1376924139.db2.gz OOMPZSQOSGUTPF-QFIPXVFZSA-N 2 1 347.462 3.247 20 30 EGEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](CCCCF)CC3)C2)cc1C#N ZINC001278205270 1378262106 /nfs/dbraw/zinc/26/21/06/1378262106.db2.gz FZXZWDMXDWMWTJ-UHFFFAOYSA-N 2 1 346.494 3.324 20 30 EGEDMP CCCCCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001148291859 1379146995 /nfs/dbraw/zinc/14/69/95/1379146995.db2.gz DLEKFVMOJFGRKE-UHFFFAOYSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001148291859 1379146997 /nfs/dbraw/zinc/14/69/97/1379146997.db2.gz DLEKFVMOJFGRKE-UHFFFAOYSA-N 2 1 349.563 3.223 20 30 EGEDMP CCCCCCC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001148291859 1379147001 /nfs/dbraw/zinc/14/70/01/1379147001.db2.gz DLEKFVMOJFGRKE-UHFFFAOYSA-N 2 1 349.563 3.223 20 30 EGEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001153362629 1380065205 /nfs/dbraw/zinc/06/52/05/1380065205.db2.gz PXEOZMLFVBICOL-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001153362629 1380065209 /nfs/dbraw/zinc/06/52/09/1380065209.db2.gz PXEOZMLFVBICOL-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001153362629 1380065213 /nfs/dbraw/zinc/06/52/13/1380065213.db2.gz PXEOZMLFVBICOL-QZTJIDSGSA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157701373 1381008298 /nfs/dbraw/zinc/00/82/98/1381008298.db2.gz CECHTPQVQXAARR-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157701373 1381008303 /nfs/dbraw/zinc/00/83/03/1381008303.db2.gz CECHTPQVQXAARR-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157701373 1381008306 /nfs/dbraw/zinc/00/83/06/1381008306.db2.gz CECHTPQVQXAARR-MOPGFXCFSA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001158396618 1381229722 /nfs/dbraw/zinc/22/97/22/1381229722.db2.gz DEZYIKPHENLVAW-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158396618 1381229725 /nfs/dbraw/zinc/22/97/25/1381229725.db2.gz DEZYIKPHENLVAW-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001158396618 1381229728 /nfs/dbraw/zinc/22/97/28/1381229728.db2.gz DEZYIKPHENLVAW-WOJBJXKFSA-N 2 1 349.563 3.388 20 30 EGEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158468037 1381253762 /nfs/dbraw/zinc/25/37/62/1381253762.db2.gz KYKKRTUELOPKAO-IAGOWNOFSA-N 2 1 343.943 3.172 20 30 EGEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC001158468037 1381253766 /nfs/dbraw/zinc/25/37/66/1381253766.db2.gz KYKKRTUELOPKAO-IAGOWNOFSA-N 2 1 343.943 3.172 20 30 EGEDMP C=CCCCCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001158786778 1381398630 /nfs/dbraw/zinc/39/86/30/1381398630.db2.gz GMXZDKOYAXKLRV-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158786778 1381398635 /nfs/dbraw/zinc/39/86/35/1381398635.db2.gz GMXZDKOYAXKLRV-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001158786778 1381398637 /nfs/dbraw/zinc/39/86/37/1381398637.db2.gz GMXZDKOYAXKLRV-LJQANCHMSA-N 2 1 337.552 3.388 20 30 EGEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001158950086 1381481827 /nfs/dbraw/zinc/48/18/27/1381481827.db2.gz ZMZISTLOWKMYEK-LJQANCHMSA-N 2 1 335.536 3.142 20 30 EGEDMP Cc1ccc(CC#N)c(N2CCC3(CC2)[NH2+]CCc2ccccc23)[nH+]1 ZINC001159018425 1381512380 /nfs/dbraw/zinc/51/23/80/1381512380.db2.gz REYBFAUKASCYTC-UHFFFAOYSA-N 2 1 332.451 3.098 20 30 EGEDMP N#Cc1cc(Nc2cccc3cc[nH+]cc32)ccc1N1CC[NH2+]CC1 ZINC001159743013 1381886569 /nfs/dbraw/zinc/88/65/69/1381886569.db2.gz RAKJJRJOIRMVAK-UHFFFAOYSA-N 2 1 329.407 3.260 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160700570 1382174111 /nfs/dbraw/zinc/17/41/11/1382174111.db2.gz XVEWXAIXYQQRAN-UHFFFAOYSA-N 2 1 338.455 3.053 20 30 EGEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001160804614 1382202164 /nfs/dbraw/zinc/20/21/64/1382202164.db2.gz OIMCNBGRNSCMJO-UHFFFAOYSA-N 2 1 347.547 3.356 20 30 EGEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161444587 1382413178 /nfs/dbraw/zinc/41/31/78/1382413178.db2.gz HDBCWGHXAPASNX-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161444587 1382413184 /nfs/dbraw/zinc/41/31/84/1382413184.db2.gz HDBCWGHXAPASNX-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161444587 1382413185 /nfs/dbraw/zinc/41/31/85/1382413185.db2.gz HDBCWGHXAPASNX-WOJBJXKFSA-N 2 1 345.531 3.108 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569387 1383311549 /nfs/dbraw/zinc/31/15/49/1383311549.db2.gz YFSLXXTYVBVACA-ZWKOTPCHSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458381 1383637528 /nfs/dbraw/zinc/63/75/28/1383637528.db2.gz DALHHROWMXEAJI-QGZVFWFLSA-N 2 1 346.519 3.203 20 30 EGEDMP N#Cc1ccccc1OC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387699 1383891367 /nfs/dbraw/zinc/89/13/67/1383891367.db2.gz QHXFOJOAZUOTQB-UHFFFAOYSA-N 2 1 339.483 3.276 20 30 EGEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001170785835 1384385125 /nfs/dbraw/zinc/38/51/25/1384385125.db2.gz PDOCYMNMQDUGCZ-MSOLQXFVSA-N 2 1 335.536 3.092 20 30 EGEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171238689 1384477116 /nfs/dbraw/zinc/47/71/16/1384477116.db2.gz YHPCFTVZVNGDFE-OALUTQOASA-N 2 1 337.552 3.195 20 30 EGEDMP C=CCOC[C@H]1CCC[C@@]12C[NH+]([C@@H]1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)CCO2 ZINC001172119872 1384733032 /nfs/dbraw/zinc/73/30/32/1384733032.db2.gz BXGZWMXBSKIURK-YMQHIKHWSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@H]1CCC[C@@]12C[N@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCO2 ZINC001172119872 1384733038 /nfs/dbraw/zinc/73/30/38/1384733038.db2.gz BXGZWMXBSKIURK-YMQHIKHWSA-N 2 1 348.531 3.075 20 30 EGEDMP C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1C[C@H]3CCC[C@@H](C1)[NH+]3C)CCO2 ZINC001172119872 1384733045 /nfs/dbraw/zinc/73/30/45/1384733045.db2.gz BXGZWMXBSKIURK-YMQHIKHWSA-N 2 1 348.531 3.075 20 30 EGEDMP COc1ccc(C2([NH3+])CC[NH+]([C@@H](C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC001172305466 1384764347 /nfs/dbraw/zinc/76/43/47/1384764347.db2.gz SOLIXVLOKLUFHX-KRWDZBQOSA-N 2 1 349.478 3.448 20 30 EGEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001175263472 1385233631 /nfs/dbraw/zinc/23/36/31/1385233631.db2.gz QAZMAZFIPFWWDX-LPHOPBHVSA-N 2 1 341.515 3.040 20 30 EGEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529261 1385322636 /nfs/dbraw/zinc/32/26/36/1385322636.db2.gz ROUSVHDCLWJCPP-QGZVFWFLSA-N 2 1 334.508 3.237 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001177335605 1385917399 /nfs/dbraw/zinc/91/73/99/1385917399.db2.gz HPVANRRDMOGQOS-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001177472537 1385970038 /nfs/dbraw/zinc/97/00/38/1385970038.db2.gz FROLBPBWZRCVKS-NRFANRHFSA-N 2 1 347.547 3.047 20 30 EGEDMP C=C(C)C[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001177488783 1385975945 /nfs/dbraw/zinc/97/59/45/1385975945.db2.gz MMZHSWOOBPAGHM-FQEVSTJZSA-N 2 1 349.563 3.435 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891780 1386340154 /nfs/dbraw/zinc/34/01/54/1386340154.db2.gz ZYKDCOPMKNIVOO-OKZBNKHCSA-N 2 1 344.503 3.086 20 30 EGEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388292 1386471718 /nfs/dbraw/zinc/47/17/18/1386471718.db2.gz DVEFCEAZAZTJDU-UFYCRDLUSA-N 2 1 349.563 3.434 20 30 EGEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001181517550 1387008575 /nfs/dbraw/zinc/00/85/75/1387008575.db2.gz IODZOTDQMUZGIA-MBOZVWFJSA-N 2 1 346.519 3.047 20 30 EGEDMP C=CCCCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181526002 1387010491 /nfs/dbraw/zinc/01/04/91/1387010491.db2.gz ZXZVUONIGPGJCO-ANTGDGSKSA-N 2 1 349.563 3.147 20 30 EGEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001752789595 1440213238 /nfs/dbraw/zinc/21/32/38/1440213238.db2.gz GOWSGNBGMHQDRX-RTBURBONSA-N 2 1 335.536 3.045 20 30 EGEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001752789594 1440213297 /nfs/dbraw/zinc/21/32/97/1440213297.db2.gz GOWSGNBGMHQDRX-RBUKOAKNSA-N 2 1 335.536 3.045 20 30 EGEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001752824778 1440223014 /nfs/dbraw/zinc/22/30/14/1440223014.db2.gz DEIIMAURBBEBLB-OALUTQOASA-N 2 1 335.536 3.044 20 30 EGEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001752993450 1440260535 /nfs/dbraw/zinc/26/05/35/1440260535.db2.gz HBLQWOHLPILWKR-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001752993450 1440260536 /nfs/dbraw/zinc/26/05/36/1440260536.db2.gz HBLQWOHLPILWKR-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001752993450 1440260537 /nfs/dbraw/zinc/26/05/37/1440260537.db2.gz HBLQWOHLPILWKR-GOSISDBHSA-N 2 1 335.536 3.138 20 30 EGEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC001753299394 1440353453 /nfs/dbraw/zinc/35/34/53/1440353453.db2.gz VWVTXVDIMLABSW-XUVXKRRUSA-N 2 1 343.515 3.130 20 30 EGEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001753317669 1440360675 /nfs/dbraw/zinc/36/06/75/1440360675.db2.gz SVDHCAUYDRMHJC-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001753317669 1440360676 /nfs/dbraw/zinc/36/06/76/1440360676.db2.gz SVDHCAUYDRMHJC-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001753317669 1440360677 /nfs/dbraw/zinc/36/06/77/1440360677.db2.gz SVDHCAUYDRMHJC-OALUTQOASA-N 2 1 335.536 3.140 20 30 EGEDMP C=C(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001753550440 1440434895 /nfs/dbraw/zinc/43/48/95/1440434895.db2.gz RBPBWJFKKKFCBS-PMACEKPBSA-N 2 1 349.563 3.291 20 30 EGEDMP C=CCCCCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001753602626 1440446989 /nfs/dbraw/zinc/44/69/89/1440446989.db2.gz VFWHWDSOMJEYEN-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001753602626 1440446990 /nfs/dbraw/zinc/44/69/90/1440446990.db2.gz VFWHWDSOMJEYEN-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001753602626 1440446991 /nfs/dbraw/zinc/44/69/91/1440446991.db2.gz VFWHWDSOMJEYEN-IBGZPJMESA-N 2 1 347.547 3.142 20 30 EGEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)CC[N@H+](C)CCC)C2 ZINC001754661842 1440655220 /nfs/dbraw/zinc/65/52/20/1440655220.db2.gz MQIVXDHAAYUNDV-OAQYLSRUSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001754661842 1440655221 /nfs/dbraw/zinc/65/52/21/1440655221.db2.gz MQIVXDHAAYUNDV-OAQYLSRUSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001754661842 1440655222 /nfs/dbraw/zinc/65/52/22/1440655222.db2.gz MQIVXDHAAYUNDV-OAQYLSRUSA-N 2 1 349.563 3.389 20 30 EGEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001754953273 1440715628 /nfs/dbraw/zinc/71/56/28/1440715628.db2.gz XPDBEGOALCNIRT-QWFCFKBJSA-N 2 1 347.547 3.234 20 30 EGEDMP C=CCC[C@H](C)[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001755353939 1440828746 /nfs/dbraw/zinc/82/87/46/1440828746.db2.gz BRXMVZOPUMJRIU-ROUUACIJSA-N 2 1 335.536 3.092 20 30 EGEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001755366937 1440835065 /nfs/dbraw/zinc/83/50/65/1440835065.db2.gz ATFCFKHKQPJZRP-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001755366937 1440835066 /nfs/dbraw/zinc/83/50/66/1440835066.db2.gz ATFCFKHKQPJZRP-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001755366937 1440835067 /nfs/dbraw/zinc/83/50/67/1440835067.db2.gz ATFCFKHKQPJZRP-GOSISDBHSA-N 2 1 337.552 3.291 20 30 EGEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001755452771 1440854258 /nfs/dbraw/zinc/85/42/58/1440854258.db2.gz SZTSLBWPLIKCGP-SLFFLAALSA-N 2 1 347.547 3.045 20 30 EGEDMP