smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)[NH2+]CC2 ZINC000022018370 1020870275 /nfs/dbraw/zinc/87/02/75/1020870275.db2.gz VWRZKNBJHMIEMQ-QGZVFWFLSA-N 1 0 338.234 4.246 50 0 EIAARO CCOc1ccccc1C[N@@H+]1CCC[C@](C)(COc2ccncc2)C1 ZINC000257195727 1022779343 /nfs/dbraw/zinc/77/93/43/1022779343.db2.gz WTNYAERFADSZAT-NRFANRHFSA-N 1 0 340.467 4.161 50 0 EIAARO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000107157860 1024070984 /nfs/dbraw/zinc/07/09/84/1024070984.db2.gz GKVCLBCFBQHXGF-QZTJIDSGSA-N 1 0 348.556 4.042 50 0 EIAARO CC1CC[NH+](CCOCCOc2ccc(Cl)cc2Cl)CC1 ZINC000005102296 1025309721 /nfs/dbraw/zinc/30/97/21/1025309721.db2.gz YJWFUACDYPYYFA-UHFFFAOYSA-N 1 0 332.271 4.121 50 0 EIAARO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)C[C@H](C)SC2CCCCC2)C1 ZINC000888096079 1025997772 /nfs/dbraw/zinc/99/77/72/1025997772.db2.gz JJLFRFWQGVJMRM-XYJFISCASA-N 1 0 340.577 4.068 50 0 EIAARO C[C@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1cnn(C2CCCC2)c1 ZINC000337460655 1026813572 /nfs/dbraw/zinc/81/35/72/1026813572.db2.gz KGCJSGQBOZMBCW-INIZCTEOSA-N 1 0 349.482 4.250 50 0 EIAARO OC[C@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000023114990 1027733655 /nfs/dbraw/zinc/73/36/55/1027733655.db2.gz HPPZPHOCCXKJNK-INIZCTEOSA-N 1 0 331.843 4.337 50 0 EIAARO Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ccc(C(F)F)nc2)n1 ZINC000657924930 1030611878 /nfs/dbraw/zinc/61/18/78/1030611878.db2.gz JXJUXCYMTQLCKH-AWEZNQCLSA-N 1 0 342.393 4.364 50 0 EIAARO c1ccc2oc([C@@H]3CCC[N@@H+](Cc4ccc5c(c4)CCO5)C3)nc2c1 ZINC000109829702 1030971433 /nfs/dbraw/zinc/97/14/33/1030971433.db2.gz MKBJQSRHUSWVHE-QGZVFWFLSA-N 1 0 334.419 4.142 50 0 EIAARO Cc1ccc(-c2nc(C[N@@H+]3CC[C@]4(C3)CCCOC4)cs2)cc1 ZINC000792941792 1040313911 /nfs/dbraw/zinc/31/39/11/1040313911.db2.gz XENQXUNBTSIPDW-IBGZPJMESA-N 1 0 328.481 4.121 50 0 EIAARO CC(C)COc1cccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000152515573 1042887826 /nfs/dbraw/zinc/88/78/26/1042887826.db2.gz AQUAVOBLQFXVGK-FYSMJZIKSA-N 1 0 345.508 4.310 50 0 EIAARO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(CCc2ccccc2F)C1 ZINC000012750836 1044503521 /nfs/dbraw/zinc/50/35/21/1044503521.db2.gz ZZPFZWVEPGDDBD-FQEVSTJZSA-N 1 0 340.486 4.212 50 0 EIAARO c1ccc([C@@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)CCO2)cc1 ZINC000141832156 1044849758 /nfs/dbraw/zinc/84/97/58/1044849758.db2.gz AFRZZFTXBCQSHJ-QFIPXVFZSA-N 1 0 330.431 4.322 50 0 EIAARO Cc1cnc(-c2ccncc2)n1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000575545797 1045254198 /nfs/dbraw/zinc/25/41/98/1045254198.db2.gz JVNLCEJEULANST-HXUWFJFHSA-N 1 0 338.499 4.471 50 0 EIAARO Cc1nc(CO[C@H]2CCN(c3cc(C)[nH+]c4ccccc43)C2)cs1 ZINC000377179898 1045270512 /nfs/dbraw/zinc/27/05/12/1045270512.db2.gz PQJSLCMIROGBDE-INIZCTEOSA-N 1 0 339.464 4.104 50 0 EIAARO Cc1cc(C[NH2+][C@@H](c2nccn2C)C2CC2)ccc1Oc1cccnc1 ZINC000353039135 1049202711 /nfs/dbraw/zinc/20/27/11/1049202711.db2.gz PBRAKUWQOZHFGS-HXUWFJFHSA-N 1 0 348.450 4.157 50 0 EIAARO Cc1ccc(-c2ncc(C[NH2+]C[C@H]3COc4ccccc43)s2)cc1 ZINC000585083615 1049400370 /nfs/dbraw/zinc/40/03/70/1049400370.db2.gz PQRMHIDUSQZROC-INIZCTEOSA-N 1 0 336.460 4.384 50 0 EIAARO CC(C)c1ccc(CN(C(=O)[C@H]2CCCCC[N@@H+]2C)C2CC2)cc1 ZINC000952963517 1049681649 /nfs/dbraw/zinc/68/16/49/1049681649.db2.gz KQBRMGMAOSPPTD-HXUWFJFHSA-N 1 0 328.500 4.175 50 0 EIAARO O[C@@H](c1cccs1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000952978828 1049686322 /nfs/dbraw/zinc/68/63/22/1049686322.db2.gz YJEJIILUILDSJX-LJQANCHMSA-N 1 0 327.449 4.440 50 0 EIAARO CCSc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000952979153 1049686864 /nfs/dbraw/zinc/68/68/64/1049686864.db2.gz HJJNPTQKYHDXGY-UHFFFAOYSA-N 1 0 330.453 4.240 50 0 EIAARO Cc1ccc(CN(C(=O)[C@@H]2CCCCC[N@H+]2C)C2CCCC2)s1 ZINC000952973740 1049687360 /nfs/dbraw/zinc/68/73/60/1049687360.db2.gz AFVWEVQOKRGHIP-SFHVURJKSA-N 1 0 334.529 4.202 50 0 EIAARO CC(C)Oc1cccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000952981739 1049689539 /nfs/dbraw/zinc/68/95/39/1049689539.db2.gz KAVFNCHNHNVDEP-UHFFFAOYSA-N 1 0 338.451 4.322 50 0 EIAARO CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2nsnc2c1 ZINC000952988802 1049691588 /nfs/dbraw/zinc/69/15/88/1049691588.db2.gz SIIGRBSOSVVXRQ-KRWDZBQOSA-N 1 0 343.452 4.158 50 0 EIAARO C[C@@H](c1cccc(NCc2cnc3ccccc3c2)c1)N1CCOCC1 ZINC000269307926 1053548566 /nfs/dbraw/zinc/54/85/66/1053548566.db2.gz HKWKYOWBRQVYDI-KRWDZBQOSA-N 1 0 347.462 4.240 50 0 EIAARO CC(C)N1C(=O)C2(CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1ccccc1 ZINC000581801077 1060003754 /nfs/dbraw/zinc/00/37/54/1060003754.db2.gz VKPOOTFECXLXBB-NRFANRHFSA-N 1 0 348.490 4.261 50 0 EIAARO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581807022 1060017030 /nfs/dbraw/zinc/01/70/30/1060017030.db2.gz HQGDYHKPXVMXNM-FQEVSTJZSA-N 1 0 332.451 4.091 50 0 EIAARO Cc1c[nH+]c(C)n1C[C@@H]1CCCN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000581808053 1060017534 /nfs/dbraw/zinc/01/75/34/1060017534.db2.gz PENTWKFSSHAKPZ-GOSISDBHSA-N 1 0 340.471 4.061 50 0 EIAARO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581807023 1060019354 /nfs/dbraw/zinc/01/93/54/1060019354.db2.gz HQGDYHKPXVMXNM-HXUWFJFHSA-N 1 0 332.451 4.091 50 0 EIAARO CCCCCCOc1ccccc1NC(=O)O[C@H]1C[NH+]2CCC1CC2 ZINC000004566638 210221693 /nfs/dbraw/zinc/22/16/93/210221693.db2.gz IFQNIPQGVPLRDO-IBGZPJMESA-N 1 0 346.471 4.288 50 0 EIAARO CC(C)c1ccc(CN2CCC[C@]3(CC[N@@H+](C4CCC4)C3)C2=O)cc1 ZINC000011753422 201813697 /nfs/dbraw/zinc/81/36/97/201813697.db2.gz IPJZHLZIMKOWEU-JOCHJYFZSA-N 1 0 340.511 4.177 50 0 EIAARO C[C@@H]1C[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012736486 201862697 /nfs/dbraw/zinc/86/26/97/201862697.db2.gz WNNAXJRUAKSABZ-VGOFRKELSA-N 1 0 348.490 4.222 50 0 EIAARO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)sc1-c1ccccc1 ZINC000013326424 201890873 /nfs/dbraw/zinc/89/08/73/201890873.db2.gz VXKZPYLFBSARFY-UHFFFAOYSA-N 1 0 342.508 4.326 50 0 EIAARO COc1ccccc1-c1ccc(Oc2ccc(C[NH+](C)C)cc2)nn1 ZINC000067754291 215203212 /nfs/dbraw/zinc/20/32/12/215203212.db2.gz XBOQAPWRLGCWBI-UHFFFAOYSA-N 1 0 335.407 4.006 50 0 EIAARO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547720 202008996 /nfs/dbraw/zinc/00/89/96/202008996.db2.gz IUXQXCKMOGJLQO-GOSISDBHSA-N 1 0 336.479 4.277 50 0 EIAARO CN1CC[NH+](CCCCCCOc2cccc3ccccc32)CC1 ZINC000019706948 202016482 /nfs/dbraw/zinc/01/64/82/202016482.db2.gz XQANBWSRZAXEER-UHFFFAOYSA-N 1 0 326.484 4.026 50 0 EIAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)cc1 ZINC000019842329 202023199 /nfs/dbraw/zinc/02/31/99/202023199.db2.gz MDFLWFCFFITZCN-UHFFFAOYSA-N 1 0 340.536 4.289 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H](O)c1ccccc1 ZINC000019871857 202023815 /nfs/dbraw/zinc/02/38/15/202023815.db2.gz PYOXLNRAYGCQDI-WZONZLPQSA-N 1 0 347.458 4.477 50 0 EIAARO CCCCN1C(=O)C2=C(CCCC2)[C@H]1[NH2+][C@H](C)CCc1ccccc1 ZINC000019907715 202025363 /nfs/dbraw/zinc/02/53/63/202025363.db2.gz PILDCWFKZJVIIB-UTKZUKDTSA-N 1 0 340.511 4.436 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021720284 202069160 /nfs/dbraw/zinc/06/91/60/202069160.db2.gz XPXVJVJNTWZUBM-QGZVFWFLSA-N 1 0 344.455 4.424 50 0 EIAARO COc1ccc([C@](C)(O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000021169985 202062989 /nfs/dbraw/zinc/06/29/89/202062989.db2.gz PUNVHTFMJIWTCK-YADHBBJMSA-N 1 0 339.479 4.172 50 0 EIAARO CC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169876 202063455 /nfs/dbraw/zinc/06/34/55/202063455.db2.gz KBWPUNYOKQYGDV-FGZHOGPDSA-N 1 0 339.479 4.172 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000021718217 202069728 /nfs/dbraw/zinc/06/97/28/202069728.db2.gz PUMGQWDXGSATSH-HZPDHXFCSA-N 1 0 347.478 4.048 50 0 EIAARO C[N@H+](CC[C@@H]1CCCCO1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000023368400 202103295 /nfs/dbraw/zinc/10/32/95/202103295.db2.gz LGPATBOCBZMPAJ-KRWDZBQOSA-N 1 0 339.439 4.214 50 0 EIAARO COc1ccc(C)cc1CC[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000023466528 202104910 /nfs/dbraw/zinc/10/49/10/202104910.db2.gz DZHWHWQONCBMIB-UHFFFAOYSA-N 1 0 349.478 4.138 50 0 EIAARO Cc1oc(-c2cccc(C)c2)nc1C[N@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000012303391 202113521 /nfs/dbraw/zinc/11/35/21/202113521.db2.gz MINBZJCVMXIZJB-IBGZPJMESA-N 1 0 340.467 4.349 50 0 EIAARO COc1ccc(OC)c(C[NH2+][C@H](C)c2cc3cccc(OC)c3o2)c1 ZINC000028925821 202178679 /nfs/dbraw/zinc/17/86/79/202178679.db2.gz WNZNNQXYLMBCFI-CYBMUJFWSA-N 1 0 341.407 4.309 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029482371 202187984 /nfs/dbraw/zinc/18/79/84/202187984.db2.gz RLXVWLYARMPNNF-SFHVURJKSA-N 1 0 328.843 4.206 50 0 EIAARO c1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000030545234 202196079 /nfs/dbraw/zinc/19/60/79/202196079.db2.gz ZJJSGEYAJNUMOP-OAQYLSRUSA-N 1 0 346.430 4.274 50 0 EIAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000032541403 202226340 /nfs/dbraw/zinc/22/63/40/202226340.db2.gz AZVWGGBMDDNTPV-HNNXBMFYSA-N 1 0 338.923 4.228 50 0 EIAARO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000032764936 202233686 /nfs/dbraw/zinc/23/36/86/202233686.db2.gz QVIIFNOYXMDQEN-FCHUYYIVSA-N 1 0 348.490 4.060 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F ZINC000032851135 202237694 /nfs/dbraw/zinc/23/76/94/202237694.db2.gz HFLSHCPPMBBRGF-MEDUHNTESA-N 1 0 332.806 4.083 50 0 EIAARO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)C1CCCCCC1 ZINC000032858120 202238269 /nfs/dbraw/zinc/23/82/69/202238269.db2.gz DGYNJUVTKNJMJK-UHFFFAOYSA-N 1 0 338.879 4.250 50 0 EIAARO C[C@@H](C[NH2+]Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000033874964 202269657 /nfs/dbraw/zinc/26/96/57/202269657.db2.gz FMRUBXQQSIIGPL-IBGZPJMESA-N 1 0 331.459 4.348 50 0 EIAARO Cc1ccc(C)c(C[N@@H+](C[C@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036031680 202313217 /nfs/dbraw/zinc/31/32/17/202313217.db2.gz VPVOOIGJPNHMMI-NRFANRHFSA-N 1 0 341.495 4.262 50 0 EIAARO C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2)cc(C(F)F)n1 ZINC000036613645 202325952 /nfs/dbraw/zinc/32/59/52/202325952.db2.gz JGUSSURDFRFIEX-UHFFFAOYSA-N 1 0 340.805 4.098 50 0 EIAARO Clc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000022877256 212331717 /nfs/dbraw/zinc/33/17/17/212331717.db2.gz OADCBMJTFBFQAR-MRXNPFEDSA-N 1 0 335.278 4.358 50 0 EIAARO CCc1ccc([C@H](CNC(=O)[C@H](CC)c2ccccc2)[NH+](C)C)cc1 ZINC000022684814 212316690 /nfs/dbraw/zinc/31/66/90/212316690.db2.gz YQOMTSRWUYFXTA-RTWAWAEBSA-N 1 0 338.495 4.162 50 0 EIAARO c1nc(CN2CCC[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2)cs1 ZINC000215976767 241156510 /nfs/dbraw/zinc/15/65/10/241156510.db2.gz OTKWZAVLSGAOPW-HXUWFJFHSA-N 1 0 341.524 4.021 50 0 EIAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C[NH2+]CCc1ccccc1 ZINC000061002744 202784736 /nfs/dbraw/zinc/78/47/36/202784736.db2.gz UIRJURKEGMTNDY-UHFFFAOYSA-N 1 0 343.833 4.306 50 0 EIAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(F)cc1 ZINC000004679237 201610494 /nfs/dbraw/zinc/61/04/94/201610494.db2.gz LWAIRIMGERZCEH-UHFFFAOYSA-N 1 0 343.377 4.087 50 0 EIAARO c1c(C[N@H+](Cc2ccccn2)C2CCCCC2)onc1-c1cccnc1 ZINC000244707779 243064586 /nfs/dbraw/zinc/06/45/86/243064586.db2.gz KHKGOGMSUXPJMB-UHFFFAOYSA-N 1 0 348.450 4.467 50 0 EIAARO CCCOc1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1OCC ZINC000006645703 201688813 /nfs/dbraw/zinc/68/88/13/201688813.db2.gz NYFBITYSOMRRBO-KRWDZBQOSA-N 1 0 338.451 4.446 50 0 EIAARO CCOC(=O)C1CC[NH+](CCCOc2ccccc2[C@H](C)CC)CC1 ZINC000006702897 201691026 /nfs/dbraw/zinc/69/10/26/201691026.db2.gz WYWWNTUAGXAJBO-QGZVFWFLSA-N 1 0 347.499 4.244 50 0 EIAARO COc1c(C[NH2+]Cc2cc3ccccc3s2)c(C(C)C)nn1C ZINC000065479726 202853068 /nfs/dbraw/zinc/85/30/68/202853068.db2.gz IZISOZMOJJXWAR-UHFFFAOYSA-N 1 0 329.469 4.057 50 0 EIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000071828162 203122255 /nfs/dbraw/zinc/12/22/55/203122255.db2.gz HNJYBQKKRWYLRQ-IFMALSPDSA-N 1 0 331.463 4.194 50 0 EIAARO Cc1ccc2[nH]c3c(c2c1)CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC3 ZINC000072150732 203173205 /nfs/dbraw/zinc/17/32/05/203173205.db2.gz JUHDLKCNXDQJCS-HTAPYJJXSA-N 1 0 337.511 4.099 50 0 EIAARO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccnc(C(C)C)n2)c1 ZINC000072412454 203219377 /nfs/dbraw/zinc/21/93/77/203219377.db2.gz BQSYPTUOJIIZRS-IBGZPJMESA-N 1 0 325.456 4.336 50 0 EIAARO CCC(CC)(CC(=O)OC)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000075103630 203300176 /nfs/dbraw/zinc/30/01/76/203300176.db2.gz VBOXEMYQAPZSOY-UHFFFAOYSA-N 1 0 338.498 4.083 50 0 EIAARO Cc1cc(N2CCC[C@@H](OCc3cccnc3)C2)c2ccccc2[nH+]1 ZINC000077300803 203378371 /nfs/dbraw/zinc/37/83/71/203378371.db2.gz NXFMZRVWQZXYMK-GOSISDBHSA-N 1 0 333.435 4.124 50 0 EIAARO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2cncn2C2CCCCC2)c1 ZINC000077393432 203385654 /nfs/dbraw/zinc/38/56/54/203385654.db2.gz JEBVBLWPFRDZSZ-GOSISDBHSA-N 1 0 341.503 4.030 50 0 EIAARO COCCC[C@@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000077456522 203389325 /nfs/dbraw/zinc/38/93/25/203389325.db2.gz SIDDZSXCBCLAFZ-KRWDZBQOSA-N 1 0 331.504 4.163 50 0 EIAARO Brc1ccccc1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019608355 212052000 /nfs/dbraw/zinc/05/20/00/212052000.db2.gz DJFBBNZOXCQBNF-MRXNPFEDSA-N 1 0 327.225 4.166 50 0 EIAARO Cc1ccc2c(CC[NH2+]Cc3cc4ccccc4[nH]c3=O)c[nH]c2c1 ZINC000089657463 203585735 /nfs/dbraw/zinc/58/57/35/203585735.db2.gz VPTMSQSBVNMUGX-UHFFFAOYSA-N 1 0 331.419 4.062 50 0 EIAARO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c2ccsc2S1 ZINC000095968959 203779092 /nfs/dbraw/zinc/77/90/92/203779092.db2.gz FPMPWQIDAVKXIY-MQIPJXDCSA-N 1 0 344.505 4.389 50 0 EIAARO C[C@H](NC1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000097009617 203905242 /nfs/dbraw/zinc/90/52/42/203905242.db2.gz WHGOYLYBXBVTMZ-WSTZPKSXSA-N 1 0 330.516 4.055 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000043357077 204249627 /nfs/dbraw/zinc/24/96/27/204249627.db2.gz WEPGTKVGOIVEQA-OAHLLOKOSA-N 1 0 337.876 4.134 50 0 EIAARO Brc1cccc(OCCCC[NH2+]Cc2ccccc2)c1 ZINC000002823898 205633708 /nfs/dbraw/zinc/63/37/08/205633708.db2.gz GZILPOOSXBIDBM-UHFFFAOYSA-N 1 0 334.257 4.398 50 0 EIAARO C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000213915 206209368 /nfs/dbraw/zinc/20/93/68/206209368.db2.gz DGWITJVKJIVNMH-QGZVFWFLSA-N 1 0 326.459 4.183 50 0 EIAARO COc1ccc([C@H](C)[NH2+]Cc2ccc(C)cn2)cc1Br ZINC000095416619 218356072 /nfs/dbraw/zinc/35/60/72/218356072.db2.gz JISIRINNLXALMM-LBPRGKRZSA-N 1 0 335.245 4.012 50 0 EIAARO O=C1C[C@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)c2ccccc2N1 ZINC000095423599 218366380 /nfs/dbraw/zinc/36/63/80/218366380.db2.gz QATPZMCCAIZREM-MLGOLLRUSA-N 1 0 342.439 4.078 50 0 EIAARO C[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273510722 257942107 /nfs/dbraw/zinc/94/21/07/257942107.db2.gz QXAKRJUXUJCLIM-AZUAARDMSA-N 1 0 339.414 4.054 50 0 EIAARO Cc1nnc(-c2ccc(-c3ccc(OCC[NH+]4CCCC4)cc3)cc2)o1 ZINC000096165241 258067777 /nfs/dbraw/zinc/06/77/77/258067777.db2.gz WCPVLXYIQDFSFU-UHFFFAOYSA-N 1 0 349.434 4.187 50 0 EIAARO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C(F)(F)F)ccc1C ZINC000253425139 519854266 /nfs/dbraw/zinc/85/42/66/519854266.db2.gz POHKZEZJYRIXCG-AWEZNQCLSA-N 1 0 343.393 4.010 50 0 EIAARO CCC[NH+](CCC)[C@H](C)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000002999424 521650365 /nfs/dbraw/zinc/65/03/65/521650365.db2.gz SODFWAHNAQBQBK-GOSISDBHSA-N 1 0 330.516 4.125 50 0 EIAARO COc1ccc(CC[NH2+]Cc2ccc(CSC(F)F)o2)cc1 ZINC000025539130 523975489 /nfs/dbraw/zinc/97/54/89/523975489.db2.gz KJTFQLFEAMCUPX-UHFFFAOYSA-N 1 0 327.396 4.076 50 0 EIAARO COc1ccccc1CCC[N@H+](C)C1CCN(c2ccccc2)CC1 ZINC000225843894 537028073 /nfs/dbraw/zinc/02/80/73/537028073.db2.gz YYSDNNBRSJFOKK-UHFFFAOYSA-N 1 0 338.495 4.229 50 0 EIAARO CC(C)c1cc(Br)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770420 563924869 /nfs/dbraw/zinc/92/48/69/563924869.db2.gz DUDNVADZCHQUPT-CYBMUJFWSA-N 1 0 326.278 4.341 50 0 EIAARO Cc1ccc(NC(=S)NCC(C)(C)[NH+]2CCCCC2)cc1Cl ZINC000006948373 564102115 /nfs/dbraw/zinc/10/21/15/564102115.db2.gz PVMCSXJLPRSQBN-UHFFFAOYSA-N 1 0 339.936 4.199 50 0 EIAARO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H](CCO)c1cccs1 ZINC000095423030 564140132 /nfs/dbraw/zinc/14/01/32/564140132.db2.gz NCBVCTKAWAGWEQ-FZMZJTMJSA-N 1 0 325.861 4.184 50 0 EIAARO CC1(C)CC(NC(=O)c2ccc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000000187461 563255470 /nfs/dbraw/zinc/25/54/70/563255470.db2.gz MWRACXCZRSFZAL-UHFFFAOYSA-N 1 0 329.271 4.032 50 0 EIAARO Cc1ccc(C)c(N2CC[NH+]([C@H](C)CCc3ccc(O)cc3)CC2)c1 ZINC000000280438 563271846 /nfs/dbraw/zinc/27/18/46/563271846.db2.gz CSKFLVUELGEZKB-LJQANCHMSA-N 1 0 338.495 4.152 50 0 EIAARO C[C@H]([NH2+]CCCCc1ccccc1)[C@@H](O)c1ccc2c(c1)CCS2 ZINC000001846215 563414262 /nfs/dbraw/zinc/41/42/62/563414262.db2.gz FJLRGFADCXTJNV-HRAATJIYSA-N 1 0 341.520 4.369 50 0 in-man EIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(Cl)c1Cl ZINC000002171976 563425121 /nfs/dbraw/zinc/42/51/21/563425121.db2.gz XGLKWQDIKWHKBO-GFCCVEGCSA-N 1 0 344.286 4.379 50 0 EIAARO C[NH+](C)CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003099943 563472018 /nfs/dbraw/zinc/47/20/18/563472018.db2.gz OMLNFJPOANEAKR-UHFFFAOYSA-N 1 0 349.515 4.025 50 0 EIAARO Clc1ccc(OCC[NH+]2CCCCCC2)c(Br)c1 ZINC000004480179 563503229 /nfs/dbraw/zinc/50/32/29/563503229.db2.gz WPAIXDQZVNWTND-UHFFFAOYSA-N 1 0 332.669 4.357 50 0 EIAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000004657496 563506888 /nfs/dbraw/zinc/50/68/88/563506888.db2.gz GOLFSHFSRMRWQD-GOSISDBHSA-N 1 0 349.833 4.327 50 0 EIAARO c1ccc(CC2CC[NH+](CCOCCOc3ccccc3)CC2)cc1 ZINC000004845190 563513581 /nfs/dbraw/zinc/51/35/81/563513581.db2.gz FUEOVTSXYWMYSJ-UHFFFAOYSA-N 1 0 339.479 4.037 50 0 EIAARO CCC[N@@H+](Cc1cc(Br)c(OC)cc1OC)CC1CC1 ZINC000004988625 563517840 /nfs/dbraw/zinc/51/78/40/563517840.db2.gz GLQROGMOZWQQMM-UHFFFAOYSA-N 1 0 342.277 4.088 50 0 EIAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1cccc(C)c1 ZINC000005019492 563518984 /nfs/dbraw/zinc/51/89/84/563518984.db2.gz IXSPJQKXKSXPKC-UHFFFAOYSA-N 1 0 337.419 4.465 50 0 EIAARO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000005073649 563520577 /nfs/dbraw/zinc/52/05/77/563520577.db2.gz BBJFXYAQZMJWIG-APWZRJJASA-N 1 0 327.468 4.075 50 0 EIAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)Nc1cccc2ccccc21 ZINC000005715176 563547006 /nfs/dbraw/zinc/54/70/06/563547006.db2.gz RIYZFSVCQTXEPM-MRXNPFEDSA-N 1 0 327.472 4.472 50 0 EIAARO CCOc1ccccc1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000584904382 563601958 /nfs/dbraw/zinc/60/19/58/563601958.db2.gz WLKXQMWVHDLBJL-IFMALSPDSA-N 1 0 342.527 4.314 50 0 EIAARO CCOc1ccc2[nH]c(C)c(C[N@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008571799 563632584 /nfs/dbraw/zinc/63/25/84/563632584.db2.gz PKCUHGLQEIXMIJ-UHFFFAOYSA-N 1 0 336.435 4.280 50 0 EIAARO CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000010335053 563647600 /nfs/dbraw/zinc/64/76/00/563647600.db2.gz CWOXFLIEIKARDT-UHFFFAOYSA-N 1 0 338.451 4.324 50 0 EIAARO CC[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000011813699 563650829 /nfs/dbraw/zinc/65/08/29/563650829.db2.gz KQWAGAREMQUGIC-UHFFFAOYSA-N 1 0 326.415 4.163 50 0 EIAARO O=C(c1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011821363 563651405 /nfs/dbraw/zinc/65/14/05/563651405.db2.gz UIURJAPONCETKF-IBGZPJMESA-N 1 0 330.431 4.330 50 0 EIAARO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000012300068 563657242 /nfs/dbraw/zinc/65/72/42/563657242.db2.gz RGFSVZWCNHXBLS-INIZCTEOSA-N 1 0 329.827 4.141 50 0 EIAARO Cc1c2cc(C)ccc2oc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012274853 563657341 /nfs/dbraw/zinc/65/73/41/563657341.db2.gz WWULCUWRIVSCBJ-UHFFFAOYSA-N 1 0 328.456 4.089 50 0 EIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012303494 563657662 /nfs/dbraw/zinc/65/76/62/563657662.db2.gz LITNMXPYSJKYTE-GOSISDBHSA-N 1 0 349.474 4.012 50 0 EIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012432877 563660880 /nfs/dbraw/zinc/66/08/80/563660880.db2.gz NUIGUSQLVUEDRL-MRXNPFEDSA-N 1 0 348.368 4.195 50 0 EIAARO COCCCC1CC[NH+](Cc2nc(-c3ccc(F)cc3)oc2C)CC1 ZINC000012751621 563670172 /nfs/dbraw/zinc/67/01/72/563670172.db2.gz VHQZDOMJPFHGDG-UHFFFAOYSA-N 1 0 346.446 4.428 50 0 EIAARO Fc1ccc(-c2n[nH]cc2C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004385520 563676404 /nfs/dbraw/zinc/67/64/04/563676404.db2.gz FNOZTRYIYVBALR-UHFFFAOYSA-N 1 0 325.431 4.274 50 0 EIAARO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012986147 563682093 /nfs/dbraw/zinc/68/20/93/563682093.db2.gz PYBUIPIJBCMQFU-HNNXBMFYSA-N 1 0 336.410 4.438 50 0 EIAARO Fc1ccc(-c2ccc(C[NH2+]C[C@@H]3COc4ccccc4O3)o2)cc1 ZINC000032740378 563721086 /nfs/dbraw/zinc/72/10/86/563721086.db2.gz WPFALZCPSHKESS-QGZVFWFLSA-N 1 0 339.366 4.015 50 0 EIAARO CCc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000014953914 563768041 /nfs/dbraw/zinc/76/80/41/563768041.db2.gz KLEVJYPJAAFBPZ-HXUWFJFHSA-N 1 0 347.886 4.313 50 0 EIAARO Fc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccco3)C2)c1 ZINC000019111178 563853518 /nfs/dbraw/zinc/85/35/18/563853518.db2.gz CTSYILICOQCVRK-HNNXBMFYSA-N 1 0 325.387 4.188 50 0 EIAARO COc1ccc2cc(C[N@H+](C)C[C@H](O)c3ccc(F)cc3)ccc2c1 ZINC000025233947 563882365 /nfs/dbraw/zinc/88/23/65/563882365.db2.gz ZTYGYUPNRBOFLG-NRFANRHFSA-N 1 0 339.410 4.153 50 0 EIAARO CCn1c2ccccc2c2cc(C[N@H+](C)C3CCN(C)CC3)ccc21 ZINC000000202114 563917030 /nfs/dbraw/zinc/91/70/30/563917030.db2.gz MIWZOZJYLZOERN-UHFFFAOYSA-N 1 0 335.495 4.340 50 0 EIAARO COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)c2ccccc12 ZINC000016662644 563918010 /nfs/dbraw/zinc/91/80/10/563918010.db2.gz SOGPNCBRITVDBJ-UHFFFAOYSA-N 1 0 338.495 4.299 50 0 EIAARO CCC(C)(C)c1ccc(OC2CC[NH2+]CC2)c(Br)c1 ZINC000042775255 563925026 /nfs/dbraw/zinc/92/50/26/563925026.db2.gz IMXYTOLRCSFAEU-UHFFFAOYSA-N 1 0 326.278 4.268 50 0 EIAARO CC(C)(C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774779 563925056 /nfs/dbraw/zinc/92/50/56/563925056.db2.gz AZTDGAHIXDHVIX-LBPRGKRZSA-N 1 0 326.278 4.125 50 0 EIAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cccc(Oc3ncccn3)c2)c1 ZINC000055035873 563933337 /nfs/dbraw/zinc/93/33/37/563933337.db2.gz GXAHGHLOOPHRHM-KRWDZBQOSA-N 1 0 348.450 4.035 50 0 EIAARO C[C@@H](c1ccc(C(=O)NCc2cc(F)ccc2F)o1)[NH+]1CCCCC1 ZINC000055255140 563934106 /nfs/dbraw/zinc/93/41/06/563934106.db2.gz RSDKMKMMFSUWJH-ZDUSSCGKSA-N 1 0 348.393 4.035 50 0 EIAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(C)[C@@H](C)c2ccon2)cc1 ZINC000055358067 563934535 /nfs/dbraw/zinc/93/45/35/563934535.db2.gz BIIKFYFNCYOFCH-INIZCTEOSA-N 1 0 343.471 4.130 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1ccccc1Cn1cccn1 ZINC000055392802 563934604 /nfs/dbraw/zinc/93/46/04/563934604.db2.gz KPYDPBJJZMSKNH-GOSISDBHSA-N 1 0 334.467 4.127 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc2cnccc21)CC(C)C ZINC000058067045 563937179 /nfs/dbraw/zinc/93/71/79/563937179.db2.gz RFLLFUJAXXIEQJ-QGZVFWFLSA-N 1 0 342.487 4.113 50 0 EIAARO COC(=O)c1oc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1C ZINC000058356269 563943407 /nfs/dbraw/zinc/94/34/07/563943407.db2.gz HSCCVOLASLTPQD-UHFFFAOYSA-N 1 0 331.456 4.023 50 0 EIAARO CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(Br)c1 ZINC000058412068 563945232 /nfs/dbraw/zinc/94/52/32/563945232.db2.gz QDCKNLCKXWVZTG-SFHVURJKSA-N 1 0 348.284 4.395 50 0 EIAARO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccnc2)no1 ZINC000058523871 563946681 /nfs/dbraw/zinc/94/66/81/563946681.db2.gz RADWUCFYGCKYPE-MOPGFXCFSA-N 1 0 348.450 4.290 50 0 EIAARO FC(F)Oc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000058477530 563946698 /nfs/dbraw/zinc/94/66/98/563946698.db2.gz RZRRQZSCVCEACS-MRXNPFEDSA-N 1 0 347.361 4.184 50 0 EIAARO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccs1 ZINC000096477594 563955014 /nfs/dbraw/zinc/95/50/14/563955014.db2.gz XKJGTGKOJDMYJT-ZIAGYGMSSA-N 1 0 348.487 4.260 50 0 EIAARO Cc1csc([C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 ZINC000096478504 563955159 /nfs/dbraw/zinc/95/51/59/563955159.db2.gz ZEFBQNGFORPTFK-UGSOOPFHSA-N 1 0 344.480 4.415 50 0 EIAARO Cc1ccc(-c2c(-c3ccccc3)ncn2[C@H]2C[NH+]3CCC2CC3)o1 ZINC000065370638 563958335 /nfs/dbraw/zinc/95/83/35/563958335.db2.gz WSOQWXNXXCVECJ-SFHVURJKSA-N 1 0 333.435 4.385 50 0 EIAARO CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc3ccccc3s1)C2 ZINC000067804335 563962770 /nfs/dbraw/zinc/96/27/70/563962770.db2.gz KTVQIMMWKZKOJL-FQEVSTJZSA-N 1 0 342.508 4.239 50 0 EIAARO Cc1cncc(NC(=O)c2cccc(CN(C)[C@@H](C)c3ccco3)c2)c1 ZINC000067818937 563962838 /nfs/dbraw/zinc/96/28/38/563962838.db2.gz BBBCOMKWAHHSGA-INIZCTEOSA-N 1 0 349.434 4.428 50 0 EIAARO C[C@H](c1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1)[NH+]1CCCCC1 ZINC000067840733 563962868 /nfs/dbraw/zinc/96/28/68/563962868.db2.gz PJMCPWPVWUPBTF-OAHLLOKOSA-N 1 0 335.451 4.269 50 0 EIAARO Fc1ccc(Cn2ncc3c2CN(c2cc[nH+]c4ccccc42)C3)cc1 ZINC000067885155 563963013 /nfs/dbraw/zinc/96/30/13/563963013.db2.gz KDDBZWULYPWLDH-UHFFFAOYSA-N 1 0 344.393 4.139 50 0 EIAARO Cc1cccc(C(C)(C)C)c1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000067946373 563963118 /nfs/dbraw/zinc/96/31/18/563963118.db2.gz XAJHSJSDPNZJFB-MRXNPFEDSA-N 1 0 331.504 4.146 50 0 EIAARO COc1cccc(CNc2[nH+]cc(-c3ccc(C)cc3)n2C)c1OC ZINC000004678545 563963873 /nfs/dbraw/zinc/96/38/73/563963873.db2.gz CCHJZBDWQDWYPV-UHFFFAOYSA-N 1 0 337.423 4.025 50 0 EIAARO C[C@H](CCc1cccn1C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000097009658 563966655 /nfs/dbraw/zinc/96/66/55/563966655.db2.gz WPDJKKMSXNKVSD-CQSZACIVSA-N 1 0 343.471 4.399 50 0 EIAARO C[C@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000097165431 563968510 /nfs/dbraw/zinc/96/85/10/563968510.db2.gz SHJOXLLHZVOLMF-JXFKEZNVSA-N 1 0 342.508 4.023 50 0 EIAARO Cc1cc2cccc(C(=O)N3CCC[C@H](C[NH+]4CCCCC4)C3)c2o1 ZINC000082097733 563972169 /nfs/dbraw/zinc/97/21/69/563972169.db2.gz CMPCLVJPRJJKBB-QGZVFWFLSA-N 1 0 340.467 4.079 50 0 EIAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(C(C)C)cc1)CC2 ZINC000091526682 563975505 /nfs/dbraw/zinc/97/55/05/563975505.db2.gz KCLHPNTYHHOBBG-UHFFFAOYSA-N 1 0 328.500 4.035 50 0 EIAARO c1ccc2c(c1)Sc1cccc(-c3nc4c([nH]3)C[NH2+]CC4)c1S2 ZINC000095391288 563976916 /nfs/dbraw/zinc/97/69/16/563976916.db2.gz BVBHDIKNKKPKSB-UHFFFAOYSA-N 1 0 337.473 4.338 50 0 EIAARO CSc1ccc2nc(N3CCC([C@@H](C)[NH+](C)C)CC3)cc(C)c2c1 ZINC000096163216 563979897 /nfs/dbraw/zinc/97/98/97/563979897.db2.gz WBIUOLSHVLRTHB-OAHLLOKOSA-N 1 0 343.540 4.432 50 0 EIAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCCCC[C@@H]1c1ccco1 ZINC000097553300 563981689 /nfs/dbraw/zinc/98/16/89/563981689.db2.gz VCWSYMWTIFBVNA-QGZVFWFLSA-N 1 0 342.439 4.226 50 0 EIAARO C[C@@H](c1ccc(-c2ncc(F)c(N3CCCC3)n2)cc1)[NH+]1CCCC1 ZINC000097568928 563981727 /nfs/dbraw/zinc/98/17/27/563981727.db2.gz MPDWILASVVQHIY-HNNXBMFYSA-N 1 0 340.446 4.040 50 0 EIAARO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000014180348 563983354 /nfs/dbraw/zinc/98/33/54/563983354.db2.gz UEOHMWSLBSNFSO-MRXNPFEDSA-N 1 0 336.479 4.118 50 0 EIAARO Cc1cccc(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000000261504 563989663 /nfs/dbraw/zinc/98/96/63/563989663.db2.gz PKBNMATZHNTGCQ-UHFFFAOYSA-N 1 0 333.545 4.275 50 0 EIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)c(C)c1 ZINC000000263807 563989830 /nfs/dbraw/zinc/98/98/30/563989830.db2.gz XNCRMZIYHBAZGF-MRXNPFEDSA-N 1 0 345.512 4.218 50 0 EIAARO COc1ccc2cc(C[NH2+]CCn3c(C)nc4ccccc43)ccc2c1 ZINC000061556740 563994605 /nfs/dbraw/zinc/99/46/05/563994605.db2.gz VIGNQNXOYIQLOD-UHFFFAOYSA-N 1 0 345.446 4.296 50 0 EIAARO O[C@@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000001851251 563996117 /nfs/dbraw/zinc/99/61/17/563996117.db2.gz GGUSQTSTQSHJAH-FQEVSTJZSA-N 1 0 347.861 4.467 50 0 investigational EIAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F)O[C@H](C)C2 ZINC000252517522 563997826 /nfs/dbraw/zinc/99/78/26/563997826.db2.gz KNQCITVAWDNUOT-KCPJHIHWSA-N 1 0 343.389 4.229 50 0 EIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1Cl ZINC000005446800 564004076 /nfs/dbraw/zinc/00/40/76/564004076.db2.gz PLCBAAFOBRUHFI-LPHOPBHVSA-N 1 0 340.854 4.097 50 0 EIAARO COc1ccc(C[C@@H]([NH2+]Cc2cccnc2)c2ccc(OC)cc2)cc1 ZINC000017317780 564011642 /nfs/dbraw/zinc/01/16/42/564011642.db2.gz SYRJGWYEQVCMRN-JOCHJYFZSA-N 1 0 348.446 4.172 50 0 EIAARO C=Cn1cc(C[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)cn1 ZINC000341262337 564022369 /nfs/dbraw/zinc/02/23/69/564022369.db2.gz CCTFANFFSDKALB-UHFFFAOYSA-N 1 0 330.844 4.050 50 0 EIAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000107504577 564026952 /nfs/dbraw/zinc/02/69/52/564026952.db2.gz UFWSIRDZPDKLCM-SUYBPPKGSA-N 1 0 342.405 4.003 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000046088615 564029522 /nfs/dbraw/zinc/02/95/22/564029522.db2.gz GDZVJUURFDGLOS-NXHRZFHOSA-N 1 0 332.513 4.066 50 0 EIAARO CC[N@H+](C)Cc1cccc(CNc2ncnc3c4ccccc4oc32)c1 ZINC000048326083 564030991 /nfs/dbraw/zinc/03/09/91/564030991.db2.gz GLXVAHWHEGIBOT-UHFFFAOYSA-N 1 0 346.434 4.440 50 0 EIAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000048715388 564032122 /nfs/dbraw/zinc/03/21/22/564032122.db2.gz DVKLCKVVNSVZDC-HNNXBMFYSA-N 1 0 338.451 4.209 50 0 EIAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000000785796 564034273 /nfs/dbraw/zinc/03/42/73/564034273.db2.gz LWWGZUGDKYQPNY-MDWZMJQESA-N 1 0 348.490 4.070 50 0 EIAARO O=C(Nc1ccccc1)N(CC1CC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000604406210 564034740 /nfs/dbraw/zinc/03/47/40/564034740.db2.gz ZHHYLICSOMEKNA-AZUAARDMSA-N 1 0 341.499 4.195 50 0 EIAARO COc1cc(C[NH2+][C@H](C)c2cc3ccccc3o2)cc(OC)c1OC ZINC000026313157 564039583 /nfs/dbraw/zinc/03/95/83/564039583.db2.gz SQYUVDROJZPFBH-CYBMUJFWSA-N 1 0 341.407 4.309 50 0 EIAARO C[C@H](c1ccccn1)[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000225514863 564047482 /nfs/dbraw/zinc/04/74/82/564047482.db2.gz HXMFEOSWDLRNJD-OAHLLOKOSA-N 1 0 335.492 4.110 50 0 EIAARO Cc1csc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1Cl ZINC000239672621 564051685 /nfs/dbraw/zinc/05/16/85/564051685.db2.gz BUGBQSLLKGYCEK-UHFFFAOYSA-N 1 0 348.899 4.104 50 0 EIAARO CC(C)N(C)c1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)cn1 ZINC000239807511 564051706 /nfs/dbraw/zinc/05/17/06/564051706.db2.gz CSOZRPDYXKLMDU-SFHVURJKSA-N 1 0 343.446 4.069 50 0 EIAARO CCCc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)sc1C ZINC000025329455 564054132 /nfs/dbraw/zinc/05/41/32/564054132.db2.gz NWNLKSNGSMJAPA-HNNXBMFYSA-N 1 0 336.526 4.103 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000006007753 564057551 /nfs/dbraw/zinc/05/75/51/564057551.db2.gz YYTKDJBCMXAENE-CHWSQXEVSA-N 1 0 330.453 4.017 50 0 EIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000019111122 564057803 /nfs/dbraw/zinc/05/78/03/564057803.db2.gz VFJKEFKAKRPMQH-HNNXBMFYSA-N 1 0 337.341 4.393 50 0 EIAARO Cc1ccc([C@@H](OCC[NH+](C)C)c2ccc(Br)cc2)cc1 ZINC000001999805 564058134 /nfs/dbraw/zinc/05/81/34/564058134.db2.gz PENMVPDWHVWJAC-GOSISDBHSA-N 1 0 348.284 4.425 50 0 EIAARO CC(C)(C)c1nnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000084325420 564067796 /nfs/dbraw/zinc/06/77/96/564067796.db2.gz OGQZNCCAVMDQGT-ZDUSSCGKSA-N 1 0 334.489 4.068 50 0 EIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@H]1C[C@@H]1c1ccccc1F ZINC000084504686 564068354 /nfs/dbraw/zinc/06/83/54/564068354.db2.gz UAJXKPUARLARNJ-MSOLQXFVSA-N 1 0 338.426 4.164 50 0 EIAARO O[C@H](COc1cccc2ccccc21)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000084525540 564068506 /nfs/dbraw/zinc/06/85/06/564068506.db2.gz OWLWGTWFFKUJNX-SFTDATJTSA-N 1 0 347.458 4.069 50 0 EIAARO O[C@H](C[NH2+]Cc1cccc(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000084562769 564068706 /nfs/dbraw/zinc/06/87/06/564068706.db2.gz MVPDOYUSASHPGB-OAQYLSRUSA-N 1 0 339.385 4.455 50 0 EIAARO CC(C)(C[N@H+](Cc1ccc(F)cc1)C1CC1)C1OCC(C)(C)CO1 ZINC000084673679 564069557 /nfs/dbraw/zinc/06/95/57/564069557.db2.gz BEZPDWTZHODFDZ-UHFFFAOYSA-N 1 0 335.463 4.215 50 0 EIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012809201 564072613 /nfs/dbraw/zinc/07/26/13/564072613.db2.gz QQFMOLYMULISNT-FQEVSTJZSA-N 1 0 349.430 4.447 50 0 EIAARO C[C@H](NC(=O)Nc1ccccc1F)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012824468 564075013 /nfs/dbraw/zinc/07/50/13/564075013.db2.gz FPJKCVGZWSFNOM-KXBFYZLASA-N 1 0 341.430 4.173 50 0 EIAARO COc1cccc([C@H](NCc2cc[nH]c2)c2cc(F)ccc2OC)c1 ZINC000086255638 564075464 /nfs/dbraw/zinc/07/54/64/564075464.db2.gz OPMGNRUALHZHJG-FQEVSTJZSA-N 1 0 340.398 4.050 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000015860943 564076893 /nfs/dbraw/zinc/07/68/93/564076893.db2.gz FPKWCDLFJIYNSU-UHFFFAOYSA-N 1 0 329.488 4.115 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000012922763 564078438 /nfs/dbraw/zinc/07/84/38/564078438.db2.gz NEMDARSPMGQNQX-DYVFJYSZSA-N 1 0 328.843 4.253 50 0 EIAARO [NH3+]CCCCCCCCCCNC(=O)OC(Cl)(Cl)Cl ZINC000075284321 564081524 /nfs/dbraw/zinc/08/15/24/564081524.db2.gz WLSSBIWPYWJKJE-UHFFFAOYSA-N 1 0 333.687 4.120 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000575618679 564083682 /nfs/dbraw/zinc/08/36/82/564083682.db2.gz AXTHIEGIXVERBB-GFCCVEGCSA-N 1 0 348.855 4.180 50 0 EIAARO C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)C1CCCC1 ZINC000053814196 564084102 /nfs/dbraw/zinc/08/41/02/564084102.db2.gz BEPHZCINLPQJTQ-UHFFFAOYSA-N 1 0 339.464 4.026 50 0 EIAARO CCc1nc(C)c([C@H](C)[NH2+]Cc2cccc3c2OCCCO3)s1 ZINC000090546566 564084665 /nfs/dbraw/zinc/08/46/65/564084665.db2.gz BQTFBMPLCALCDH-LBPRGKRZSA-N 1 0 332.469 4.026 50 0 EIAARO CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccsc1 ZINC000191196424 564084870 /nfs/dbraw/zinc/08/48/70/564084870.db2.gz REAFGVAHDXZSMO-MRXNPFEDSA-N 1 0 332.469 4.077 50 0 EIAARO CC1(C)C[C@](CC[NH2+]Cc2ccc(O)cc2)(c2ccccc2)CCO1 ZINC000002478707 564085004 /nfs/dbraw/zinc/08/50/04/564085004.db2.gz SUYSFVCOGZNFRU-JOCHJYFZSA-N 1 0 339.479 4.399 50 0 biogenic EIAARO Fc1ccc(F)c(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c1 ZINC000239402700 564088096 /nfs/dbraw/zinc/08/80/96/564088096.db2.gz RBMDUBBCLOBBET-VQTJNVASSA-N 1 0 334.454 4.194 50 0 EIAARO Cc1nc(CN2CCC[N@@H+]([C@H]3[C@@H]4CCCC[C@@H]4C3(C)C)CC2)cs1 ZINC000241693974 564088401 /nfs/dbraw/zinc/08/84/01/564088401.db2.gz QJLBNKCAVJXYFA-QYZOEREBSA-N 1 0 347.572 4.174 50 0 EIAARO C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)CN1CC1 ZINC000253498637 564089492 /nfs/dbraw/zinc/08/94/92/564089492.db2.gz YAZNTOPQJPATQT-CUCLYRJJSA-N 1 0 331.544 4.466 50 0 EIAARO CCn1nc(C)c(C[NH2+]Cc2ccc(Cl)c3cccnc23)c1C ZINC000089300188 564089553 /nfs/dbraw/zinc/08/95/53/564089553.db2.gz KQSOFHZKUOFAOZ-UHFFFAOYSA-N 1 0 328.847 4.011 50 0 EIAARO Cc1sc2nc(C)nc(NC[C@@H](c3ccccc3)[NH+](C)C)c2c1C ZINC000006598423 564092656 /nfs/dbraw/zinc/09/26/56/564092656.db2.gz UYCURXFNUKLQAE-INIZCTEOSA-N 1 0 340.496 4.331 50 0 EIAARO COc1ccc([C@H](CNc2cc(C)[nH+]c3ccccc23)[NH+](C)C)cc1 ZINC000089583105 564092962 /nfs/dbraw/zinc/09/29/62/564092962.db2.gz BJULFJUPEACFTO-NRFANRHFSA-N 1 0 335.451 4.267 50 0 EIAARO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@@H](c1ccco1)N(C)C ZINC000006608946 564093233 /nfs/dbraw/zinc/09/32/33/564093233.db2.gz JMOGGVIWCLTQHU-AWEZNQCLSA-N 1 0 346.814 4.020 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000169681700 564098225 /nfs/dbraw/zinc/09/82/25/564098225.db2.gz LDZTXYQMLZPBLL-AZUAARDMSA-N 1 0 327.468 4.035 50 0 EIAARO CCc1ccccc1NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000006877204 564100381 /nfs/dbraw/zinc/10/03/81/564100381.db2.gz NVOHHYAPQGJEEO-UHFFFAOYSA-N 1 0 343.515 4.225 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877157 564100385 /nfs/dbraw/zinc/10/03/85/564100385.db2.gz QDCCAZHHODQJNJ-UHFFFAOYSA-N 1 0 349.906 4.378 50 0 EIAARO COc1ccc(-c2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1OC ZINC000007001508 564102991 /nfs/dbraw/zinc/10/29/91/564102991.db2.gz HZMYFGMYYPWYMU-ZIAGYGMSSA-N 1 0 346.496 4.305 50 0 EIAARO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H](C)C1 ZINC000007384230 564107637 /nfs/dbraw/zinc/10/76/37/564107637.db2.gz RIAHUMHFOFRFFL-ROUUACIJSA-N 1 0 336.479 4.013 50 0 EIAARO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cc2)cc1O ZINC000042275286 564110825 /nfs/dbraw/zinc/11/08/25/564110825.db2.gz UEUVTFOFBANPQW-LLVKDONJSA-N 1 0 336.229 4.014 50 0 EIAARO O=C(c1cccc(Cl)c1Cl)N1CC[NH+](C2CCCCC2)CC1 ZINC000013326389 564111536 /nfs/dbraw/zinc/11/15/36/564111536.db2.gz MYBUYEXGVZVJLX-UHFFFAOYSA-N 1 0 341.282 4.084 50 0 EIAARO Cc1ccc(C[NH2+]Cc2cccc3cccnc32)c(O[C@H]2CCOC2)c1 ZINC000089623637 564112766 /nfs/dbraw/zinc/11/27/66/564112766.db2.gz VWPOITHDBOCHOX-FQEVSTJZSA-N 1 0 348.446 4.001 50 0 EIAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccc(Cl)c(Cl)c2)C1 ZINC000002825132 564117018 /nfs/dbraw/zinc/11/70/18/564117018.db2.gz XSKHKJBWMOZMEE-CYBMUJFWSA-N 1 0 332.271 4.121 50 0 EIAARO COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCC[C@H]1c1cccs1 ZINC000252444141 564118449 /nfs/dbraw/zinc/11/84/49/564118449.db2.gz CHGMHJXHCWOEEE-ZBFHGGJFSA-N 1 0 344.480 4.229 50 0 EIAARO C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000007878215 564124283 /nfs/dbraw/zinc/12/42/83/564124283.db2.gz YKIGMHKBGXSQRH-JTQLQIEISA-N 1 0 338.835 4.098 50 0 EIAARO O[C@H](C[N@@H+]1CCC[C@H]1CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000252680261 564124909 /nfs/dbraw/zinc/12/49/09/564124909.db2.gz YCFGZWFARNPSFM-FXAWDEMLSA-N 1 0 331.406 4.095 50 0 EIAARO CC(C)(CO)[C@H]([NH2+]CCOc1ccc(Cl)cc1)c1cccs1 ZINC000253429200 564131305 /nfs/dbraw/zinc/13/13/05/564131305.db2.gz MKCUYRBVBBZSRE-MRXNPFEDSA-N 1 0 339.888 4.130 50 0 EIAARO C[C@@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1 ZINC000079000535 564137549 /nfs/dbraw/zinc/13/75/49/564137549.db2.gz DKWCMJGEGLGWDF-MRVPVSSYSA-N 1 0 329.252 4.005 50 0 EIAARO c1coc([C@H]([NH2+]C2CCN(Cc3cccnc3)CC2)c2ccccc2)c1 ZINC000095419555 564139849 /nfs/dbraw/zinc/13/98/49/564139849.db2.gz JLCIWFGDFCYYKU-JOCHJYFZSA-N 1 0 347.462 4.018 50 0 EIAARO C[C@H]([NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1)c1cnccn1 ZINC000095420752 564139977 /nfs/dbraw/zinc/13/99/77/564139977.db2.gz SOALOQDCJYUZLI-INIZCTEOSA-N 1 0 338.499 4.094 50 0 EIAARO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000095420959 564139988 /nfs/dbraw/zinc/13/99/88/564139988.db2.gz MCDUPVXZZYQSPG-OAHLLOKOSA-N 1 0 348.446 4.059 50 0 EIAARO Cc1noc(C)c1[C@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095422421 564140072 /nfs/dbraw/zinc/14/00/72/564140072.db2.gz AEJNKCJFWCLTHF-ZDUSSCGKSA-N 1 0 347.890 4.260 50 0 EIAARO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3ccc(C)cc3)CC2)oc1C ZINC000095422338 564140123 /nfs/dbraw/zinc/14/01/23/564140123.db2.gz NHIVIVCLAUCJOW-KRWDZBQOSA-N 1 0 341.499 4.163 50 0 EIAARO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](CCO)c1cccs1 ZINC000095423032 564140149 /nfs/dbraw/zinc/14/01/49/564140149.db2.gz NCBVCTKAWAGWEQ-SMDDNHRTSA-N 1 0 325.861 4.184 50 0 EIAARO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 ZINC000095422718 564140173 /nfs/dbraw/zinc/14/01/73/564140173.db2.gz HAKFTDFJQANIPA-DNVCBOLYSA-N 1 0 339.439 4.086 50 0 EIAARO C[C@@H](CCSc1ccccc1)[NH+]1CCC(OC2CCOCC2)CC1 ZINC000095428293 564140242 /nfs/dbraw/zinc/14/02/42/564140242.db2.gz DCICTRRJPQDPMP-KRWDZBQOSA-N 1 0 349.540 4.217 50 0 EIAARO CCc1ccsc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000095969174 564143380 /nfs/dbraw/zinc/14/33/80/564143380.db2.gz TVTOAWNJMJTCBP-CYBMUJFWSA-N 1 0 330.453 4.118 50 0 EIAARO CCC(=O)O[C@H](c1ccccc1)[C@H](Cc1ccccc1)C[NH+](C)C ZINC000096027120 564145023 /nfs/dbraw/zinc/14/50/23/564145023.db2.gz XYISHAFTUAWSFR-TZIWHRDSSA-N 1 0 325.452 4.101 50 0 EIAARO CC[NH+](CC)CCSc1ccccc1NC(=O)c1ccccc1 ZINC000096028054 564145049 /nfs/dbraw/zinc/14/50/49/564145049.db2.gz UJFAIJZADRKNAO-UHFFFAOYSA-N 1 0 328.481 4.373 50 0 EIAARO C[C@@H](C[NH+]1CCCCC1)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000096028124 564145065 /nfs/dbraw/zinc/14/50/65/564145065.db2.gz YJNFZIRUSJRKOH-RXVVDRJESA-N 1 0 336.479 4.280 50 0 EIAARO c1coc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc2)c1 ZINC000096476436 564148438 /nfs/dbraw/zinc/14/84/38/564148438.db2.gz NCENMCFMBYUOAS-JOCHJYFZSA-N 1 0 347.462 4.018 50 0 EIAARO CC[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccccc1OC(F)F ZINC000096476585 564148474 /nfs/dbraw/zinc/14/84/74/564148474.db2.gz KJJGCEQDVCEFQJ-MLGOLLRUSA-N 1 0 335.398 4.497 50 0 EIAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)o1 ZINC000056998802 564153201 /nfs/dbraw/zinc/15/32/01/564153201.db2.gz CZFLWTJQELBIOX-QGZVFWFLSA-N 1 0 346.858 4.192 50 0 EIAARO CC1=C(C)[C@@H]([NH2+]CCC(C)C)N([C@@H](C)CCc2ccccc2)C1=O ZINC000057256214 564153445 /nfs/dbraw/zinc/15/34/45/564153445.db2.gz MZTCODXPKOUUBM-JXFKEZNVSA-N 1 0 328.500 4.148 50 0 EIAARO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000057315491 564153524 /nfs/dbraw/zinc/15/35/24/564153524.db2.gz OZIJIPUOGLDGGU-CYBMUJFWSA-N 1 0 332.831 4.028 50 0 EIAARO C[N@@H+]1CCCC[C@@H]1CCSc1ncnc2sc3c(c21)CCC3 ZINC000057744738 564155613 /nfs/dbraw/zinc/15/56/13/564155613.db2.gz DARHBHGSQTUARE-GFCCVEGCSA-N 1 0 333.526 4.147 50 0 EIAARO CCCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)c3c(C)noc3C)c2C1 ZINC000066513253 564162683 /nfs/dbraw/zinc/16/26/83/564162683.db2.gz FIRGRVFVZQBJGS-CYBMUJFWSA-N 1 0 341.455 4.149 50 0 EIAARO CCOc1ccc2[nH]c(C)c(C[N@@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000008571802 564165722 /nfs/dbraw/zinc/16/57/22/564165722.db2.gz KCIHVDFJHXXXHU-UHFFFAOYSA-N 1 0 348.446 4.206 50 0 EIAARO CCCOc1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008717138 564166763 /nfs/dbraw/zinc/16/67/63/564166763.db2.gz LIRBXLUFRVPDGJ-UHFFFAOYSA-N 1 0 328.456 4.414 50 0 EIAARO COCCOCC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000067978197 564167464 /nfs/dbraw/zinc/16/74/64/564167464.db2.gz AAYQVROZAWREAQ-UHFFFAOYSA-N 1 0 344.238 4.006 50 0 EIAARO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH3+])CC1 ZINC000245204421 564168677 /nfs/dbraw/zinc/16/86/77/564168677.db2.gz AYNJLMVJFJIIRO-HDJSIYSDSA-N 1 0 330.497 4.272 50 0 EIAARO CC[N@H+](Cc1ccc(C(=O)N(C)[C@H](C)c2cccnc2)cc1)C(C)C ZINC000069417521 564169343 /nfs/dbraw/zinc/16/93/43/564169343.db2.gz MLVQOYOITXWHIX-QGZVFWFLSA-N 1 0 339.483 4.145 50 0 EIAARO Cc1noc(C)c1C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000040549074 564170642 /nfs/dbraw/zinc/17/06/42/564170642.db2.gz UQLQXDYLCYLBGX-UHFFFAOYSA-N 1 0 345.830 4.466 50 0 EIAARO C[N@H+](Cc1ccc(C(N)=O)cc1)C(c1ccccc1)c1ccccc1 ZINC000009364544 564172957 /nfs/dbraw/zinc/17/29/57/564172957.db2.gz XVIQCCSZTMYAPT-UHFFFAOYSA-N 1 0 330.431 4.007 50 0 EIAARO Cc1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1 ZINC000010139648 564175068 /nfs/dbraw/zinc/17/50/68/564175068.db2.gz XNXGLXDRTRCSAV-UHFFFAOYSA-N 1 0 347.462 4.294 50 0 EIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1Cl ZINC000010281382 564175197 /nfs/dbraw/zinc/17/51/97/564175197.db2.gz KYLLVOVFYKMJOP-UHFFFAOYSA-N 1 0 342.870 4.256 50 0 EIAARO CCS(=O)(=O)c1ccc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)s1 ZINC000426632852 568418830 /nfs/dbraw/zinc/41/88/30/568418830.db2.gz IOVORRUBBXYYDH-AWEZNQCLSA-N 1 0 349.521 4.366 50 0 EIAARO COc1ccc2nc(C[N@@H+]3CCC[C@H](c4nccs4)C3)sc2c1 ZINC000186910139 1019013919 /nfs/dbraw/zinc/01/39/19/1019013919.db2.gz DGBASDKAAHXSII-LBPRGKRZSA-N 1 0 345.493 4.141 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1C[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581807487 1021878232 /nfs/dbraw/zinc/87/82/32/1021878232.db2.gz JJUXPSVKRWPQRY-QGZVFWFLSA-N 1 0 343.515 4.278 50 0 EIAARO C[C@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccncc1F ZINC000328776447 1022071362 /nfs/dbraw/zinc/07/13/62/1022071362.db2.gz FOPMDFGMRDFAHC-LTQQYIGLSA-N 1 0 339.414 4.354 50 0 EIAARO Cc1cccc(C[N@@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000257178808 1022646730 /nfs/dbraw/zinc/64/67/30/1022646730.db2.gz HECGFADVLJVLGD-NRFANRHFSA-N 1 0 336.479 4.229 50 0 EIAARO Cc1ccc(C[NH+]2CC(c3ncc(C)n3Cc3ccccc3)C2)s1 ZINC000575552603 1030598743 /nfs/dbraw/zinc/59/87/43/1030598743.db2.gz FCPUZCHZAWJUIW-UHFFFAOYSA-N 1 0 337.492 4.209 50 0 EIAARO CCCOc1ccc(C[NH2+][C@@H]2CCCc3c(OC)cccc32)cn1 ZINC000194887527 1031558454 /nfs/dbraw/zinc/55/84/54/1031558454.db2.gz UROYQPJKWYMQRW-GOSISDBHSA-N 1 0 326.440 4.046 50 0 EIAARO C[C@@]1(COc2ccncc2)CCCN(Cc2cc(F)ccc2F)C1 ZINC000257175152 1036156057 /nfs/dbraw/zinc/15/60/57/1036156057.db2.gz NPFJJJMRTGUMRB-LJQANCHMSA-N 1 0 332.394 4.041 50 0 EIAARO CCOC1CC2(C1)CC[N@H+](Cc1cnc(-c3ccsc3)s1)C2 ZINC000348880485 1038338138 /nfs/dbraw/zinc/33/81/38/1038338138.db2.gz VQHPDHYBQIJOMF-UHFFFAOYSA-N 1 0 334.510 4.263 50 0 EIAARO CC[C@H]1C[N@H+](Cc2c[nH]c3ccccc23)Cc2cc(OC)ccc2O1 ZINC000012452790 1043252116 /nfs/dbraw/zinc/25/21/16/1043252116.db2.gz OKSKMAVHRVOUQC-KRWDZBQOSA-N 1 0 336.435 4.350 50 0 EIAARO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]C4CCCC4)CC3)nc2c1 ZINC000012454484 1043252303 /nfs/dbraw/zinc/25/23/03/1043252303.db2.gz NWQDTIHXYJQQLT-SFHVURJKSA-N 1 0 338.499 4.138 50 0 EIAARO COc1cc(C[C@@H](C)[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)ccc1O ZINC000011957349 1043806020 /nfs/dbraw/zinc/80/60/20/1043806020.db2.gz ZULLUKANCNLRJT-CYBMUJFWSA-N 1 0 338.451 4.220 50 0 EIAARO Cn1cc(C[NH2+]Cc2ccc(Cl)s2)c(-c2ccccc2F)n1 ZINC000012073999 1044079564 /nfs/dbraw/zinc/07/95/64/1044079564.db2.gz MUSFXADPBAORAC-UHFFFAOYSA-N 1 0 335.835 4.231 50 0 EIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012507319 1044395150 /nfs/dbraw/zinc/39/51/50/1044395150.db2.gz YXWZFJDIKZHRQM-KRWDZBQOSA-N 1 0 329.406 4.036 50 0 EIAARO Cc1n[nH]c(C2CC[NH+](Cc3cccc4c5ccccc5oc43)CC2)n1 ZINC000825261518 1044626090 /nfs/dbraw/zinc/62/60/90/1044626090.db2.gz BNYMWVZNRORNMP-UHFFFAOYSA-N 1 0 346.434 4.392 50 0 EIAARO CC[N@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012327417 1044732991 /nfs/dbraw/zinc/73/29/91/1044732991.db2.gz JKTHXBOKGOUMQM-NRFANRHFSA-N 1 0 336.479 4.090 50 0 EIAARO OC[C@H]1CCC[N@@H+]1Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000828799190 1044998621 /nfs/dbraw/zinc/99/86/21/1044998621.db2.gz XPSNJQZRLYRDBV-OAHLLOKOSA-N 1 0 349.833 4.015 50 0 EIAARO Cc1cccc(CC2(O)CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)c1 ZINC000585080245 1049383801 /nfs/dbraw/zinc/38/38/01/1049383801.db2.gz RDPSYRWZWHOGTA-GOSISDBHSA-N 1 0 337.454 4.190 50 0 EIAARO CCc1ccc(-c2noc(C[N@@H+](CC)[C@@H]3CCOC(C)(C)C3)n2)cc1 ZINC000585084874 1049447251 /nfs/dbraw/zinc/44/72/51/1049447251.db2.gz RBDLDYBYVFMYKB-QGZVFWFLSA-N 1 0 343.471 4.079 50 0 EIAARO COc1cccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1F ZINC000192938363 1049511656 /nfs/dbraw/zinc/51/16/56/1049511656.db2.gz QDNRHSXOCMMULD-UHFFFAOYSA-N 1 0 339.414 4.090 50 0 EIAARO COc1ncccc1C[NH2+]CC[C@H](c1ccco1)c1ccc(F)cc1 ZINC000952967103 1049687083 /nfs/dbraw/zinc/68/70/83/1049687083.db2.gz HAAAXOFOMWLNTG-SFHVURJKSA-N 1 0 340.398 4.134 50 0 EIAARO Cc1ccsc1C(=O)N1CCCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000581787951 1059992786 /nfs/dbraw/zinc/99/27/86/1059992786.db2.gz LGQLJYVWXIAYCS-KRWDZBQOSA-N 1 0 334.529 4.173 50 0 EIAARO CC(C)N1C(=O)C2(CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000581801161 1060006557 /nfs/dbraw/zinc/00/65/57/1060006557.db2.gz YQUWMEDCOQJUDB-HXUWFJFHSA-N 1 0 340.511 4.393 50 0 EIAARO CCOc1ccccc1C[N@@H+]1CC[C@H](Cc2ncc(C)n2C(C)C)C1 ZINC000581806484 1060015456 /nfs/dbraw/zinc/01/54/56/1060015456.db2.gz QPJCQFHWYHQQOE-GOSISDBHSA-N 1 0 341.499 4.236 50 0 EIAARO O=C(NC1(CC2CC2)CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000581810815 1060020576 /nfs/dbraw/zinc/02/05/76/1060020576.db2.gz AVXSLPISHFTQAN-UHFFFAOYSA-N 1 0 340.511 4.384 50 0 EIAARO C[C@@H](OC[C@H](O)C[NH+]1CCCCCCC1)c1ccc(Cl)cc1 ZINC000006939134 201707812 /nfs/dbraw/zinc/70/78/12/201707812.db2.gz LOYOOYSZLJKMLM-CRAIPNDOSA-N 1 0 325.880 4.045 50 0 EIAARO O=C(c1ccccc1Cl)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000008613209 201754401 /nfs/dbraw/zinc/75/44/01/201754401.db2.gz FVZPRTQCCSJOBT-INIZCTEOSA-N 1 0 334.891 4.211 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000011612253 201810820 /nfs/dbraw/zinc/81/08/20/201810820.db2.gz MMIRJOKAHDIIIE-DBXWQHBBSA-N 1 0 339.479 4.071 50 0 EIAARO COc1cccc(NC(=O)[C@@H]([NH2+]CCC(C)C)c2ccccc2)c1 ZINC000003375245 210021562 /nfs/dbraw/zinc/02/15/62/210021562.db2.gz TUGIETVITRMFQM-IBGZPJMESA-N 1 0 326.440 4.011 50 0 EIAARO C[NH+]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019368911 202005122 /nfs/dbraw/zinc/00/51/22/202005122.db2.gz XRYLGRGAWQSVQW-KRWDZBQOSA-N 1 0 344.911 4.336 50 0 in-man EIAARO C[C@H](CCc1ccccc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019636117 202015145 /nfs/dbraw/zinc/01/51/45/202015145.db2.gz MMDSNOSYGNMGNB-CDDKBXLESA-N 1 0 334.507 4.339 50 0 EIAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000019636496 202015647 /nfs/dbraw/zinc/01/56/47/202015647.db2.gz WWUFALGNZBHEIE-UHFFFAOYSA-N 1 0 347.300 4.013 50 0 EIAARO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccccc1 ZINC000040030642 213252589 /nfs/dbraw/zinc/25/25/89/213252589.db2.gz GESRXCCQACVEFV-UHFFFAOYSA-N 1 0 331.485 4.124 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H](O)c1ccccc1 ZINC000019871861 202023143 /nfs/dbraw/zinc/02/31/43/202023143.db2.gz PYOXLNRAYGCQDI-JPYJTQIMSA-N 1 0 347.458 4.477 50 0 EIAARO CC1CCC([NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000019889629 202025383 /nfs/dbraw/zinc/02/53/83/202025383.db2.gz QOYFXKZRXSYXII-UHFFFAOYSA-N 1 0 340.433 4.402 50 0 EIAARO OC1(c2ccccc2)CC[NH+](Cc2csc3c2CCCC3)CC1 ZINC000019939545 202027383 /nfs/dbraw/zinc/02/73/83/202027383.db2.gz KFTNSVYTQYZUOC-UHFFFAOYSA-N 1 0 327.493 4.111 50 0 EIAARO CCN1N=C2/C(=C/c3ccc(C)cc3)C[NH2+]C[C@@H]2[C@@H]1c1ccc(C)cc1 ZINC000020177981 202035921 /nfs/dbraw/zinc/03/59/21/202035921.db2.gz SWQBZQSVTPIJFW-WTXLEIQCSA-N 1 0 345.490 4.339 50 0 EIAARO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000020306326 202037816 /nfs/dbraw/zinc/03/78/16/202037816.db2.gz WXEPGVLTZGNJQC-SNVBAGLBSA-N 1 0 326.259 4.370 50 0 EIAARO Clc1ccc([C@@H](Cc2ccccc2)[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000020358203 202039492 /nfs/dbraw/zinc/03/94/92/202039492.db2.gz MQPKSHNJHJHMPA-RTWAWAEBSA-N 1 0 340.898 4.308 50 0 EIAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100382 202031720 /nfs/dbraw/zinc/03/17/20/202031720.db2.gz JQILAXGVERZQGE-UHFFFAOYSA-N 1 0 334.891 4.001 50 0 EIAARO CCN1CC[NH+](CCCCOc2ccc(-c3ccccc3)cc2)CC1 ZINC000020389905 202040087 /nfs/dbraw/zinc/04/00/87/202040087.db2.gz LPGQEBDZLSJBAW-UHFFFAOYSA-N 1 0 338.495 4.150 50 0 EIAARO Cc1noc2ccc(C[N@@H+]3CCc4[nH]nc(-c5ccccc5)c4C3)cc12 ZINC000020774699 202055560 /nfs/dbraw/zinc/05/55/60/202055560.db2.gz NSTBSJPAPGXCIQ-UHFFFAOYSA-N 1 0 344.418 4.085 50 0 EIAARO O=C(c1ccccc1F)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170919 202063269 /nfs/dbraw/zinc/06/32/69/202063269.db2.gz UYAYCYGSGNDPHU-QGZVFWFLSA-N 1 0 332.463 4.087 50 0 EIAARO Cc1cc(C)cc(C[NH+]2CCC(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022332834 202083710 /nfs/dbraw/zinc/08/37/10/202083710.db2.gz SCVYZGGNBXSTRT-UHFFFAOYSA-N 1 0 337.463 4.487 50 0 EIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3ccc(Cl)cc3)CC2)c1 ZINC000021881780 202072955 /nfs/dbraw/zinc/07/29/55/202072955.db2.gz HTZOKQKLMCTNGC-UHFFFAOYSA-N 1 0 340.854 4.419 50 0 EIAARO Cc1nc2scc(-c3ccccc3)c2c(NCC[NH+]2CCCC2)n1 ZINC000022815157 202093127 /nfs/dbraw/zinc/09/31/27/202093127.db2.gz XCCWQYOCYJHDDM-UHFFFAOYSA-N 1 0 338.480 4.174 50 0 EIAARO COc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000023233179 202100145 /nfs/dbraw/zinc/10/01/45/202100145.db2.gz WNJHRPHULYGQIO-UHFFFAOYSA-N 1 0 345.487 4.006 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)sc1Cl)c1ccsc1 ZINC000025330588 202129766 /nfs/dbraw/zinc/12/97/66/202129766.db2.gz CNDDWXDRBXQTTR-JTQLQIEISA-N 1 0 349.308 4.149 50 0 EIAARO C[N@H+](CC(=O)Nc1cccc2ncccc21)[C@@H]1CCCc2ccccc21 ZINC000025948837 202136417 /nfs/dbraw/zinc/13/64/17/202136417.db2.gz GNXCGPDWEOBOJT-OAQYLSRUSA-N 1 0 345.446 4.183 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccsc1 ZINC000038673306 202145560 /nfs/dbraw/zinc/14/55/60/202145560.db2.gz ACOSDVGQGJRCLJ-HNNXBMFYSA-N 1 0 348.537 4.041 50 0 EIAARO O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1cccs1 ZINC000027663711 202158425 /nfs/dbraw/zinc/15/84/25/202158425.db2.gz DBQQDHQQIGCIDK-INIZCTEOSA-N 1 0 348.899 4.359 50 0 EIAARO CCC(CC)C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000027663746 202158547 /nfs/dbraw/zinc/15/85/47/202158547.db2.gz FWDZURFFSFZLPW-GOSISDBHSA-N 1 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/nfs/dbraw/zinc/24/26/49/202242649.db2.gz JKAMJEOJZXGHND-UHFFFAOYSA-N 1 0 346.858 4.204 50 0 EIAARO O[C@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000034879004 202278721 /nfs/dbraw/zinc/27/87/21/202278721.db2.gz NLYDMZIZDAUGBL-FUHWJXTLSA-N 1 0 338.476 4.209 50 0 EIAARO C[NH+](C)C1(CNC(=O)c2cccc(Oc3ccccc3)c2)CCCC1 ZINC000069461835 202283134 /nfs/dbraw/zinc/28/31/34/202283134.db2.gz VUHYOSCOZANUQR-UHFFFAOYSA-N 1 0 338.451 4.083 50 0 EIAARO CCCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(C)=O)ccc21 ZINC000035476071 202304810 /nfs/dbraw/zinc/30/48/10/202304810.db2.gz VCRLLYRLMYFCFL-UHFFFAOYSA-N 1 0 342.487 4.027 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COCc1ccco1 ZINC000036098929 202314241 /nfs/dbraw/zinc/31/42/41/202314241.db2.gz JGZFLIXJRLJRJI-ICSRJNTNSA-N 1 0 345.483 4.075 50 0 EIAARO Cc1cccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C2CC2)c1 ZINC000036098838 202314654 /nfs/dbraw/zinc/31/46/54/202314654.db2.gz KEBZTJHIPQSOOK-LJQANCHMSA-N 1 0 345.870 4.053 50 0 EIAARO Cc1ccccc1C[N@H+](CC(C)C)C[C@H](O)COc1ccccc1C ZINC000036099833 202315050 /nfs/dbraw/zinc/31/50/50/202315050.db2.gz NVDTZJVUFLAWKA-NRFANRHFSA-N 1 0 341.495 4.201 50 0 EIAARO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC(C)C ZINC000036095392 202315301 /nfs/dbraw/zinc/31/53/01/202315301.db2.gz PWKRUDKAPRGJSX-FQEVSTJZSA-N 1 0 345.458 4.032 50 0 EIAARO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000057530820 202723983 /nfs/dbraw/zinc/72/39/83/202723983.db2.gz YFQRNPHSSMVAKZ-UHFFFAOYSA-N 1 0 349.887 4.188 50 0 EIAARO CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(Br)c1 ZINC000023282161 212366068 /nfs/dbraw/zinc/36/60/68/212366068.db2.gz RZTSYMVOZFRRTL-UHFFFAOYSA-N 1 0 334.257 4.480 50 0 EIAARO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)Nc2cccnc2)s1 ZINC000023251320 212364437 /nfs/dbraw/zinc/36/44/37/212364437.db2.gz SCKSUSVTTVNSRX-OAHLLOKOSA-N 1 0 329.469 4.188 50 0 EIAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000214987382 241100960 /nfs/dbraw/zinc/10/09/60/241100960.db2.gz IWHDWNRHRVHTEF-SFHVURJKSA-N 1 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/nfs/dbraw/zinc/04/47/12/203044712.db2.gz QFJHPILUUGHHLW-UHFFFAOYSA-N 1 0 332.494 4.318 50 0 EIAARO CC(=O)c1cc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)ccc1O ZINC000071760139 203109190 /nfs/dbraw/zinc/10/91/90/203109190.db2.gz ZDYCTOQJHGKISC-GOSISDBHSA-N 1 0 339.435 4.042 50 0 EIAARO c1cn(C[C@H](c2ccccc2)[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000071757032 203109293 /nfs/dbraw/zinc/10/92/93/203109293.db2.gz YKMGUWHNOMJVBX-HXUWFJFHSA-N 1 0 332.451 4.172 50 0 EIAARO Cc1ccccc1-c1cccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c1 ZINC000071857529 203130824 /nfs/dbraw/zinc/13/08/24/203130824.db2.gz LCUYJANKVKIVHT-UHFFFAOYSA-N 1 0 348.490 4.153 50 0 EIAARO CSc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000072015438 203157950 /nfs/dbraw/zinc/15/79/50/203157950.db2.gz RBBMMFHNAARJDR-KRWDZBQOSA-N 1 0 340.492 4.259 50 0 EIAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC000072130956 203167316 /nfs/dbraw/zinc/16/73/16/203167316.db2.gz JYQRFUBFLDZYNL-OAHLLOKOSA-N 1 0 335.854 4.205 50 0 EIAARO CC(C)c1nccc(C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)n1 ZINC000072141926 203168682 /nfs/dbraw/zinc/16/86/82/203168682.db2.gz OQIAMWKSUQVCSU-MRXNPFEDSA-N 1 0 343.446 4.030 50 0 EIAARO C[NH+](C)CC[C@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000072144926 203170561 /nfs/dbraw/zinc/17/05/61/203170561.db2.gz BQJAJUJUZFIODW-OAHLLOKOSA-N 1 0 343.393 4.044 50 0 EIAARO FC(F)(F)c1cnc(N2CC[NH+](CC3CCCC3)CC2)c(Cl)c1 ZINC000072282577 203190693 /nfs/dbraw/zinc/19/06/93/203190693.db2.gz DHGMRIUJHROZIC-UHFFFAOYSA-N 1 0 347.812 4.066 50 0 EIAARO CC(=O)Nc1cccc(-n2ccnc2-c2ccc([C@@H](C)[NH+](C)C)cc2)c1 ZINC000072153094 203173558 /nfs/dbraw/zinc/17/35/58/203173558.db2.gz RVDBQXVVNKSCEN-OAHLLOKOSA-N 1 0 348.450 4.120 50 0 EIAARO Fc1ccc(CN2CCC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000072153673 203174621 /nfs/dbraw/zinc/17/46/21/203174621.db2.gz CQICWKJEXZTLKK-UHFFFAOYSA-N 1 0 337.442 4.015 50 0 EIAARO Cc1ccc(CSc2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000072440733 203225722 /nfs/dbraw/zinc/22/57/22/203225722.db2.gz YZPAPBPXLANLDS-DLBZAZTESA-N 1 0 340.492 4.353 50 0 EIAARO COc1cccc2ccc(C[N@@H+]3CC[C@@H](c4ccccc4F)C3)nc21 ZINC000072480058 203232309 /nfs/dbraw/zinc/23/23/09/203232309.db2.gz WSJPQTQNOUHHNR-MRXNPFEDSA-N 1 0 336.410 4.372 50 0 EIAARO Cc1sc2cc(C(=O)N3CCCCC3)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487487 203315686 /nfs/dbraw/zinc/31/56/86/203315686.db2.gz GIRKIHYMIJMLBI-UHFFFAOYSA-N 1 0 345.512 4.150 50 0 EIAARO Cc1cccc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)c1 ZINC000077339239 203381092 /nfs/dbraw/zinc/38/10/92/203381092.db2.gz BDFRNZTVJUQHBU-NRFANRHFSA-N 1 0 336.479 4.424 50 0 EIAARO c1coc(-c2nnc(C[N@H+]3CCCC[C@@H]3CCc3cccs3)o2)c1 ZINC000077525165 203394128 /nfs/dbraw/zinc/39/41/28/203394128.db2.gz XRDFAIREEISZTI-CQSZACIVSA-N 1 0 343.452 4.378 50 0 EIAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccccc1Br ZINC000019636306 212052731 /nfs/dbraw/zinc/05/27/31/212052731.db2.gz KOGZOIZLAVLZMB-UHFFFAOYSA-N 1 0 347.300 4.013 50 0 EIAARO c1ccc(C[NH+]2CCC(CCNc3nnc(C4CCC4)o3)CC2)cc1 ZINC000095378192 203723697 /nfs/dbraw/zinc/72/36/97/203723697.db2.gz ZDYPGBAOCWNUMN-UHFFFAOYSA-N 1 0 340.471 4.051 50 0 EIAARO Clc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)cc1Cl ZINC000096009178 203795758 /nfs/dbraw/zinc/79/57/58/203795758.db2.gz FWFFPVDKLGRZFQ-UHFFFAOYSA-N 1 0 336.266 4.465 50 0 EIAARO C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccsc1 ZINC000095968799 203779097 /nfs/dbraw/zinc/77/90/97/203779097.db2.gz DWMLYWVSPXOKBK-KBPBESRZSA-N 1 0 330.453 4.159 50 0 EIAARO CC[NH+](CC)Cc1ccccc1CNc1ncnc2ccc(F)cc21 ZINC000097497495 203948392 /nfs/dbraw/zinc/94/83/92/203948392.db2.gz XRMXXOKPSJPKGB-UHFFFAOYSA-N 1 0 338.430 4.223 50 0 EIAARO COc1cc([C@H](C)[NH2+]CCN2CCCCC2)ccc1SC(F)F ZINC000128276465 205141144 /nfs/dbraw/zinc/14/11/44/205141144.db2.gz LFIHOMMHUZROBY-ZDUSSCGKSA-N 1 0 344.471 4.146 50 0 EIAARO C[NH+](C)CCCNc1nc(-c2cccc(Cl)c2)nc2ccccc21 ZINC000001910695 205601155 /nfs/dbraw/zinc/60/11/55/205601155.db2.gz IHMYBUOEFXGBMR-UHFFFAOYSA-N 1 0 340.858 4.314 50 0 EIAARO c1ccc(-c2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1 ZINC000005572327 205778203 /nfs/dbraw/zinc/77/82/03/205778203.db2.gz ZSVSCXFWLQPKPQ-UHFFFAOYSA-N 1 0 349.417 4.364 50 0 EIAARO OC(CCC[NH+]1CCCCC1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006221415 205801080 /nfs/dbraw/zinc/80/10/80/205801080.db2.gz HPXORTORPWLRKS-UHFFFAOYSA-N 1 0 345.433 4.467 50 0 EIAARO Cc1nn(C)c2ncc(C[NH2+]Cc3c(C)c(C)c(C)c(C)c3C)cc12 ZINC000158857900 206213900 /nfs/dbraw/zinc/21/39/00/206213900.db2.gz AHXODBVQVXHXNY-UHFFFAOYSA-N 1 0 336.483 4.109 50 0 EIAARO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1nc(C(C)(C)C)cs1 ZINC000095422093 218363771 /nfs/dbraw/zinc/36/37/71/218363771.db2.gz PHOQQWLGAZOYLG-CQSZACIVSA-N 1 0 344.528 4.155 50 0 EIAARO O=C1C[C@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)c2ccccc2N1 ZINC000095423601 218366069 /nfs/dbraw/zinc/36/60/69/218366069.db2.gz QATPZMCCAIZREM-WBMJQRKESA-N 1 0 342.439 4.078 50 0 EIAARO COc1ccccc1N1CC[NH+](Cc2ccc3cccccc2-3)CC1 ZINC000054960009 132192728 /nfs/dbraw/zinc/19/27/28/132192728.db2.gz MNVDCQLMHFFYCU-UHFFFAOYSA-N 1 0 332.447 4.122 50 0 EIAARO C[C@@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000008186458 135682968 /nfs/dbraw/zinc/68/29/68/135682968.db2.gz YTHSGZOZDBJQFU-QGZVFWFLSA-N 1 0 343.515 4.316 50 0 EIAARO CC(C)(C)c1cc(Cl)ccc1OCCOCC[NH+]1CCCC1 ZINC000003000965 518998492 /nfs/dbraw/zinc/99/84/92/518998492.db2.gz AETVFPDBNPBKCG-UHFFFAOYSA-N 1 0 325.880 4.129 50 0 EIAARO COc1cc([C@@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)ccc1SC ZINC000095422813 522910542 /nfs/dbraw/zinc/91/05/42/522910542.db2.gz LDNHWBJJLJCOLE-VXGBXAGGSA-N 1 0 334.485 4.304 50 0 EIAARO CC(C)c1ccc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770496 563924878 /nfs/dbraw/zinc/92/48/78/563924878.db2.gz ITEHGZXYACUISK-ZDUSSCGKSA-N 1 0 326.278 4.341 50 0 EIAARO CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)C[NH+](C)C ZINC000001530769 563391337 /nfs/dbraw/zinc/39/13/37/563391337.db2.gz XLMALTXPSGQGBX-GCJKJVERSA-N 1 0 339.479 4.276 50 0 fda EIAARO CC[N@H+](C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010383926 563410208 /nfs/dbraw/zinc/41/02/08/563410208.db2.gz XPGXFFFUOJABEZ-RKRCHRGQSA-N 1 0 349.559 4.235 50 0 EIAARO [NH3+]CCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002570474 563442530 /nfs/dbraw/zinc/44/25/30/563442530.db2.gz IRXOHINXQUNLTD-UHFFFAOYSA-N 1 0 338.451 4.044 50 0 EIAARO C[NH+](C)CCOC(=O)c1ccc(COc2cccc3ccccc32)cc1 ZINC000002750814 563448823 /nfs/dbraw/zinc/44/88/23/563448823.db2.gz AJSNPOILTPJCQT-UHFFFAOYSA-N 1 0 349.430 4.137 50 0 EIAARO OCC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000002862248 563457005 /nfs/dbraw/zinc/45/70/05/563457005.db2.gz WBGGNOZILOTQSC-UHFFFAOYSA-N 1 0 341.838 4.154 50 0 EIAARO C[N@H+](CCOC(=O)C(C)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000004673147 563507808 /nfs/dbraw/zinc/50/78/08/563507808.db2.gz URWMMNKNCKPKJH-UHFFFAOYSA-N 1 0 339.479 4.266 50 0 EIAARO CC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000004833694 563512379 /nfs/dbraw/zinc/51/23/79/563512379.db2.gz TZDKZTJKHMUBFV-HNNXBMFYSA-N 1 0 346.298 4.388 50 0 EIAARO COc1cc(C[NH2+]C2CCCC2)cc(Cl)c1OCc1cccnc1 ZINC000004999716 563518218 /nfs/dbraw/zinc/51/82/18/563518218.db2.gz MXHMFZRJPUFKSJ-UHFFFAOYSA-N 1 0 346.858 4.355 50 0 EIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C)c2)oc1C ZINC000011718882 563650838 /nfs/dbraw/zinc/65/08/38/563650838.db2.gz FYERAAVSWLGYKM-SFHVURJKSA-N 1 0 328.456 4.349 50 0 EIAARO Cc1ccccc1C[C@]1(CO)CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000011816416 563651356 /nfs/dbraw/zinc/65/13/56/563651356.db2.gz RFPPJDMWKOEHNR-OAQYLSRUSA-N 1 0 343.898 4.466 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000011933261 563652404 /nfs/dbraw/zinc/65/24/04/563652404.db2.gz QHNDYILRHJRKBR-QGZVFWFLSA-N 1 0 343.854 4.444 50 0 EIAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCCC[C@H]1CO ZINC000012091344 563653432 /nfs/dbraw/zinc/65/34/32/563653432.db2.gz NQSVELWZOWMDDX-IBGZPJMESA-N 1 0 336.435 4.150 50 0 EIAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000012304294 563657805 /nfs/dbraw/zinc/65/78/05/563657805.db2.gz CKJKKVUNTQDBIU-IBGZPJMESA-N 1 0 332.451 4.071 50 0 EIAARO O=C(c1cccc2ccccc21)N1CC[C@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012386255 563659768 /nfs/dbraw/zinc/65/97/68/563659768.db2.gz PHMVNGYXFHPMRA-HSZRJFAPSA-N 1 0 348.490 4.178 50 0 EIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)cc1 ZINC000012441374 563660788 /nfs/dbraw/zinc/66/07/88/563660788.db2.gz HCAGJSDZCSBDSS-KRWDZBQOSA-N 1 0 340.492 4.207 50 0 EIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](C2CCCC2)CC1 ZINC000012596073 563664732 /nfs/dbraw/zinc/66/47/32/563664732.db2.gz SOCYVFOTOXULPR-UHFFFAOYSA-N 1 0 349.902 4.470 50 0 EIAARO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COCc1ccccc1Cl ZINC000012973792 563679834 /nfs/dbraw/zinc/67/98/34/563679834.db2.gz DZGLRRIOCGEZEE-LJQANCHMSA-N 1 0 347.886 4.128 50 0 EIAARO CCc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000012975544 563680446 /nfs/dbraw/zinc/68/04/46/563680446.db2.gz KXTDHARVUCXHGX-UHFFFAOYSA-N 1 0 336.479 4.165 50 0 EIAARO Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccccc3C)nc(=O)c2c1C ZINC000014138894 563744961 /nfs/dbraw/zinc/74/49/61/563744961.db2.gz CAGLAWAIGCWEGX-CHWSQXEVSA-N 1 0 341.480 4.322 50 0 EIAARO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000014979828 563769855 /nfs/dbraw/zinc/76/98/55/563769855.db2.gz BODMMEJPDMPSCC-QGZVFWFLSA-N 1 0 343.854 4.444 50 0 EIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2OC)oc1C ZINC000015064501 563774694 /nfs/dbraw/zinc/77/46/94/563774694.db2.gz DDIHINILDRXDRK-MRXNPFEDSA-N 1 0 344.455 4.050 50 0 EIAARO Cc1cccc(C)c1NC(=S)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000016239130 563806257 /nfs/dbraw/zinc/80/62/57/563806257.db2.gz LBUXBGBCDSLRTN-MRXNPFEDSA-N 1 0 343.496 4.020 50 0 EIAARO Cc1ccc(C[NH+]2CCC(C(=O)NC(C(C)C)C(C)C)CC2)cc1 ZINC000016607548 563817294 /nfs/dbraw/zinc/81/72/94/563817294.db2.gz KQYLIQPQZJZARF-UHFFFAOYSA-N 1 0 330.516 4.004 50 0 EIAARO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+]C2C3CC4CC(C3)CC2C4)c(C)c1 ZINC000016663589 563819756 /nfs/dbraw/zinc/81/97/56/563819756.db2.gz RJKNNLUENODBCD-SILNRBPBSA-N 1 0 340.511 4.353 50 0 EIAARO C[C@H]1CCC[C@H](C)[NH+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000017067856 563832061 /nfs/dbraw/zinc/83/20/61/563832061.db2.gz AFCRRNYVMAZKBE-STQMWFEESA-N 1 0 330.453 4.302 50 0 EIAARO COc1ccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c(OC)c1 ZINC000005675602 563863832 /nfs/dbraw/zinc/86/38/32/563863832.db2.gz IGIUZTABRMASDR-UHFFFAOYSA-N 1 0 335.447 4.264 50 0 EIAARO COc1ccc(NC(=O)C[C@@H]2c3ccccc3CC(C)(C)[N@H+]2C)cc1 ZINC000000343583 563917424 /nfs/dbraw/zinc/91/74/24/563917424.db2.gz OTNUDQOBBSOGEU-LJQANCHMSA-N 1 0 338.451 4.032 50 0 biogenic EIAARO Cc1cc(OCC[C@H]2CCC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042770256 563924764 /nfs/dbraw/zinc/92/47/64/563924764.db2.gz RLADAOQRUGDCKB-GFCCVEGCSA-N 1 0 346.696 4.488 50 0 EIAARO Brc1cc(Cc2ccccc2)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770240 563924784 /nfs/dbraw/zinc/92/47/84/563924784.db2.gz BVKVUSKTVDHRLV-MRXNPFEDSA-N 1 0 346.268 4.028 50 0 EIAARO Brc1ccc(OC2CC[NH2+]CC2)c(-c2ccccc2)c1 ZINC000042774896 563925058 /nfs/dbraw/zinc/92/50/58/563925058.db2.gz QUQSEOBXOPVXJI-UHFFFAOYSA-N 1 0 332.241 4.247 50 0 EIAARO O=C(Nc1ccccc1)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000058007392 563936506 /nfs/dbraw/zinc/93/65/06/563936506.db2.gz PEZSGEQJTCZHIL-OAQYLSRUSA-N 1 0 334.463 4.415 50 0 EIAARO Cn1cnn(C[NH2+]C2(c3ccc(Cl)cc3)CCCCC2)c1=S ZINC000058161867 563938534 /nfs/dbraw/zinc/93/85/34/563938534.db2.gz GFUDZQSOAQISAS-UHFFFAOYSA-N 1 0 336.892 4.011 50 0 EIAARO Cc1ccc2c(C[N@H+](C)Cc3cccc(F)c3)cc(=O)oc2c1C ZINC000058167021 563938744 /nfs/dbraw/zinc/93/87/44/563938744.db2.gz BSRUSHMDPJZPSX-UHFFFAOYSA-N 1 0 325.383 4.181 50 0 EIAARO CC(C)([NH2+]Cc1cc(F)cc2cccnc21)c1ccc2c(c1)OCO2 ZINC000058173730 563938933 /nfs/dbraw/zinc/93/89/33/563938933.db2.gz JEGPMCAKMVYBBE-UHFFFAOYSA-N 1 0 338.382 4.128 50 0 EIAARO CC(C)c1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000058522018 563946684 /nfs/dbraw/zinc/94/66/84/563946684.db2.gz HSJFLDDXFWRCJI-QGZVFWFLSA-N 1 0 331.504 4.444 50 0 EIAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=[NH2+])oc2c1 ZINC000004635293 563950824 /nfs/dbraw/zinc/95/08/24/563950824.db2.gz HEHBODNCKADTQL-UHFFFAOYSA-N 1 0 349.434 4.319 50 0 EIAARO CC[C@H](C)[N@H+](Cc1ccc(Sc2nncn2C)o1)C1CCCC1 ZINC000063869905 563956379 /nfs/dbraw/zinc/95/63/79/563956379.db2.gz ZNJGNVZYNGOYQR-ZDUSSCGKSA-N 1 0 334.489 4.102 50 0 EIAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000065364890 563958274 /nfs/dbraw/zinc/95/82/74/563958274.db2.gz KUGNZWHTDMEFHM-UHFFFAOYSA-N 1 0 344.842 4.065 50 0 EIAARO CC(C)(C)C[C@H](Nc1nc(CC[NH3+])nc2ccccc21)c1cccnc1 ZINC000065535495 563961992 /nfs/dbraw/zinc/96/19/92/563961992.db2.gz UBHIEQSQBAIJJX-SFHVURJKSA-N 1 0 349.482 4.115 50 0 EIAARO c1ccc2c(c1)cccc2-c1noc2c1C[N@H+](C[C@H]1CCCO1)CC2 ZINC000067725185 563962610 /nfs/dbraw/zinc/96/26/10/563962610.db2.gz XFJYUFQWZOMSBV-MRXNPFEDSA-N 1 0 334.419 4.032 50 0 EIAARO COc1ccc(Oc2cccc(NC(C)=O)c2)cc1C[NH+]1CCCC1 ZINC000067771384 563962641 /nfs/dbraw/zinc/96/26/41/563962641.db2.gz VTLWXGWOAAAAOU-UHFFFAOYSA-N 1 0 340.423 4.042 50 0 EIAARO CCOc1cccc(Oc2cc(C[NH+]3CCCC3)ccc2OC)c1 ZINC000067784747 563962740 /nfs/dbraw/zinc/96/27/40/563962740.db2.gz IVGHHIJAMXZMIG-UHFFFAOYSA-N 1 0 327.424 4.482 50 0 EIAARO C[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3=O)c1 ZINC000067886135 563963052 /nfs/dbraw/zinc/96/30/52/563963052.db2.gz OTMCXIZKYVTFKY-OAHLLOKOSA-N 1 0 348.446 4.052 50 0 EIAARO CCc1c[nH]nc1C1CC[NH+](Cc2[nH]c3ccc(F)cc3c2C)CC1 ZINC000067947751 563963090 /nfs/dbraw/zinc/96/30/90/563963090.db2.gz SDBYXVLHEVTOAO-UHFFFAOYSA-N 1 0 340.446 4.281 50 0 EIAARO CCOC(=O)c1ccc(Nc2cc(C)[nH+]c3ccc(OC)cc23)cc1 ZINC000000064874 563971723 /nfs/dbraw/zinc/97/17/23/563971723.db2.gz AWYXXCXEQLBJPO-UHFFFAOYSA-N 1 0 336.391 4.472 50 0 EIAARO c1ccc(C[NH+](Cc2ccccc2)C2CCC3(CC2)OCCO3)cc1 ZINC000091301364 563975226 /nfs/dbraw/zinc/97/52/26/563975226.db2.gz NSGRBUYEPGOGRA-UHFFFAOYSA-N 1 0 337.463 4.375 50 0 EIAARO Clc1ccccc1-c1ccc(C[NH+]2CCC(c3nnc[nH]3)CC2)o1 ZINC000093646315 563976397 /nfs/dbraw/zinc/97/63/97/563976397.db2.gz ZPWSXFXUDGXLLL-UHFFFAOYSA-N 1 0 342.830 4.098 50 0 EIAARO FC(F)C(F)(F)CC[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095355099 563976690 /nfs/dbraw/zinc/97/66/90/563976690.db2.gz WWLHRMSNFIDJHQ-AWEZNQCLSA-N 1 0 347.400 4.153 50 0 EIAARO COC(=O)c1ccc2[nH]cc(C3=CC[N@H+](Cc4ccccc4)CC3)c2c1 ZINC000095347561 563976697 /nfs/dbraw/zinc/97/66/97/563976697.db2.gz KPXFWUYONUIQPU-UHFFFAOYSA-N 1 0 346.430 4.244 50 0 EIAARO FC(F)(F)c1cccc([C@@H](c2ccccc2)N2CCC[NH2+]CC2)c1 ZINC000095470214 563976958 /nfs/dbraw/zinc/97/69/58/563976958.db2.gz PLUYUVZBMJJFKL-GOSISDBHSA-N 1 0 334.385 4.090 50 0 EIAARO Cc1c(Nc2cc(C)[nH+]c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000000338728 563991326 /nfs/dbraw/zinc/99/13/26/563991326.db2.gz BKYPIMQALUROAM-UHFFFAOYSA-N 1 0 344.418 4.085 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1csc2c1CCCC2 ZINC000005070131 563994141 /nfs/dbraw/zinc/99/41/41/563994141.db2.gz ZMBRNJVGBUOWLD-HUUCEWRRSA-N 1 0 334.529 4.010 50 0 EIAARO CC(C)[C@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Cl)cc1 ZINC000062580889 564006493 /nfs/dbraw/zinc/00/64/93/564006493.db2.gz BSGGBZGAJYWBGI-KRWDZBQOSA-N 1 0 336.907 4.070 50 0 EIAARO CC[C@H]([NH2+][C@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 ZINC000163820493 564013701 /nfs/dbraw/zinc/01/37/01/564013701.db2.gz GOWLBMWEZWPDJP-IERDGZPVSA-N 1 0 340.467 4.441 50 0 EIAARO CN(C)C(=O)c1cccc(C[NH2+][C@@H](c2cccc(F)c2)C(C)(C)C)c1 ZINC000181073202 564013783 /nfs/dbraw/zinc/01/37/83/564013783.db2.gz OJXQQAQDBJMJDM-IBGZPJMESA-N 1 0 342.458 4.405 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)oc21 ZINC000108376757 564028179 /nfs/dbraw/zinc/02/81/79/564028179.db2.gz AYNGBCPHNOORSQ-OHNRDTAOSA-N 1 0 347.480 4.147 50 0 EIAARO CCC(CC)[C@@H](CNC(=O)Nc1ccccc1SC)[NH+]1CCCC1 ZINC000048253489 564030497 /nfs/dbraw/zinc/03/04/97/564030497.db2.gz ANLQAMIBTIPKBA-QGZVFWFLSA-N 1 0 349.544 4.431 50 0 EIAARO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000048715390 564032128 /nfs/dbraw/zinc/03/21/28/564032128.db2.gz DVKLCKVVNSVZDC-OAHLLOKOSA-N 1 0 338.451 4.209 50 0 EIAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCCC[C@@H]2C)o1 ZINC000007525108 564034365 /nfs/dbraw/zinc/03/43/65/564034365.db2.gz JPBKLXZSHIGGHI-ZDUSSCGKSA-N 1 0 338.411 4.074 50 0 EIAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(Cl)c1 ZINC000000819143 564035234 /nfs/dbraw/zinc/03/52/34/564035234.db2.gz PYKGNVZZYXIHGE-UHFFFAOYSA-N 1 0 341.798 4.081 50 0 EIAARO CCOc1ccccc1OCC[NH2+]CCCc1c[nH]c2ccccc12 ZINC000034525455 564039052 /nfs/dbraw/zinc/03/90/52/564039052.db2.gz NKCHUXKCPICSSS-UHFFFAOYSA-N 1 0 338.451 4.168 50 0 EIAARO CSc1cccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000012429708 564051345 /nfs/dbraw/zinc/05/13/45/564051345.db2.gz YYURZIRBLUTIHO-NRFANRHFSA-N 1 0 341.520 4.226 50 0 EIAARO CC(C)[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000247989407 564052874 /nfs/dbraw/zinc/05/28/74/564052874.db2.gz JXGNWMIHGIQCNS-UHFFFAOYSA-N 1 0 340.858 4.145 50 0 EIAARO CC[C@H](C)[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248217296 564053072 /nfs/dbraw/zinc/05/30/72/564053072.db2.gz GUKLRGOOZNXXLD-HNNXBMFYSA-N 1 0 338.430 4.021 50 0 EIAARO CCN(CC)CC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248175864 564053080 /nfs/dbraw/zinc/05/30/80/564053080.db2.gz ZBSZAUGNGSGIEY-UHFFFAOYSA-N 1 0 349.522 4.429 50 0 EIAARO Cc1ccccc1Cn1cc(C[NH2+]CCCCCO)c2ccccc21 ZINC000248166275 564053088 /nfs/dbraw/zinc/05/30/88/564053088.db2.gz RMGSNNHPQMUVEB-UHFFFAOYSA-N 1 0 336.479 4.250 50 0 EIAARO CCC(C)(C)[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248253895 564053146 /nfs/dbraw/zinc/05/31/46/564053146.db2.gz JYJKVWSBDDSHPH-UHFFFAOYSA-N 1 0 334.467 4.272 50 0 EIAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000005912038 564056962 /nfs/dbraw/zinc/05/69/62/564056962.db2.gz FVGFBPCNUYQRDN-PGRDOPGGSA-N 1 0 347.458 4.444 50 0 EIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000012575073 564059940 /nfs/dbraw/zinc/05/99/40/564059940.db2.gz YTJILCCPFZPZBS-PKOBYXMFSA-N 1 0 340.854 4.097 50 0 EIAARO Cc1ccn2c(c1)nc(-c1ccc(Br)cc1)c2C[NH+](C)C ZINC000031933044 564061667 /nfs/dbraw/zinc/06/16/67/564061667.db2.gz VLRFPLDWNRNTKR-UHFFFAOYSA-N 1 0 344.256 4.134 50 0 EIAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1F ZINC000012677194 564062562 /nfs/dbraw/zinc/06/25/62/564062562.db2.gz XASDZBQTQPURDC-IFXJQAMLSA-N 1 0 326.415 4.202 50 0 EIAARO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408659 564064751 /nfs/dbraw/zinc/06/47/51/564064751.db2.gz CGJFPXBAYQZJKY-XWSHUIEDSA-N 1 0 348.490 4.295 50 0 EIAARO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1csc2ccccc21 ZINC000085313454 564072665 /nfs/dbraw/zinc/07/26/65/564072665.db2.gz GIJUIGHJKVNOFQ-WHEQGISXSA-N 1 0 329.490 4.490 50 0 EIAARO Fc1ccc(-c2csc3ncnc(NCC[NH+]4CCCC4)c23)cc1 ZINC000012853213 564075409 /nfs/dbraw/zinc/07/54/09/564075409.db2.gz ASKDARLUMYXDQC-UHFFFAOYSA-N 1 0 342.443 4.005 50 0 EIAARO C[C@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012864606 564075784 /nfs/dbraw/zinc/07/57/84/564075784.db2.gz OTXVYYWGBQIITR-LBPRGKRZSA-N 1 0 328.378 4.345 50 0 EIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000012925028 564078504 /nfs/dbraw/zinc/07/85/04/564078504.db2.gz YZQJCWQTVYLNIW-SFHVURJKSA-N 1 0 343.858 4.299 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(Cl)cc2Br)C1 ZINC000004914388 564093178 /nfs/dbraw/zinc/09/31/78/564093178.db2.gz PGSAWZZSNKSORV-RYUDHWBXSA-N 1 0 346.696 4.459 50 0 EIAARO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000090966216 564087134 /nfs/dbraw/zinc/08/71/34/564087134.db2.gz BVAGBFMRUZCRAY-MXWKQRLJSA-N 1 0 330.241 4.195 50 0 EIAARO OC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000092764557 564089111 /nfs/dbraw/zinc/08/91/11/564089111.db2.gz QVYIOGJUYQKFGZ-LLVKDONJSA-N 1 0 326.223 4.068 50 0 EIAARO C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@@H]1CCSC1 ZINC000089350808 564089743 /nfs/dbraw/zinc/08/97/43/564089743.db2.gz SMPLVCOKMGRLMO-QGZVFWFLSA-N 1 0 348.899 4.251 50 0 EIAARO Cc1ccc(NCc2cccc3c2C[N@H+](C[C@@H]2CCCO2)C3)cc1C ZINC000006745702 564096916 /nfs/dbraw/zinc/09/69/16/564096916.db2.gz QBKLSAPLEXQDDS-NRFANRHFSA-N 1 0 336.479 4.410 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccccc1 ZINC000169677122 564098066 /nfs/dbraw/zinc/09/80/66/564098066.db2.gz LQUBNQCYDCZJPU-PZJWPPBQSA-N 1 0 341.495 4.344 50 0 EIAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]C1CC1)c1ccccc1 ZINC000007003116 564103022 /nfs/dbraw/zinc/10/30/22/564103022.db2.gz KWUWPAGMIMJHSU-MRXNPFEDSA-N 1 0 334.341 4.137 50 0 EIAARO C[N@H+](CCC(=O)N1CCc2ccccc21)Cc1cccc2ccccc21 ZINC000065515325 564106702 /nfs/dbraw/zinc/10/67/02/564106702.db2.gz NCSALUJGIYBWBN-UHFFFAOYSA-N 1 0 344.458 4.251 50 0 EIAARO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCCCCC1 ZINC000007378233 564107127 /nfs/dbraw/zinc/10/71/27/564107127.db2.gz DYTFTCLCNBRAEF-GOSISDBHSA-N 1 0 336.479 4.157 50 0 EIAARO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 ZINC000065609608 564108266 /nfs/dbraw/zinc/10/82/66/564108266.db2.gz OZVVQHCUWDYCHF-UHFFFAOYSA-N 1 0 345.487 4.002 50 0 EIAARO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)oc1C ZINC000170593953 564108975 /nfs/dbraw/zinc/10/89/75/564108975.db2.gz MYCAEKZZFUQCHT-IBGZPJMESA-N 1 0 327.424 4.329 50 0 EIAARO Clc1cnn(C2CC[NH+]([C@@H]3CCCOc4ccccc43)CC2)c1 ZINC000170602821 564109450 /nfs/dbraw/zinc/10/94/50/564109450.db2.gz UTHDZCOOWJAMKJ-QGZVFWFLSA-N 1 0 331.847 4.087 50 0 EIAARO Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@H](C(C)C)CC3)nc(=O)c2c1C ZINC000170627033 564110584 /nfs/dbraw/zinc/11/05/84/564110584.db2.gz VIXKSAZKHSYMDJ-ZFWWWQNUSA-N 1 0 347.528 4.421 50 0 EIAARO Fc1cc2cccnc2c(C[NH2+]C[C@H]2CCO[C@H]2c2ccccc2)c1 ZINC000089827826 564114080 /nfs/dbraw/zinc/11/40/80/564114080.db2.gz AOIWXGOTERAUCY-UTKZUKDTSA-N 1 0 336.410 4.241 50 0 EIAARO CC(C)c1cccc(C(C)C)c1NC(=S)N1CCC[N@H+](C)CC1 ZINC000089893480 564114815 /nfs/dbraw/zinc/11/48/15/564114815.db2.gz QOJSCZVCAYKIPQ-UHFFFAOYSA-N 1 0 333.545 4.268 50 0 EIAARO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000089941986 564115580 /nfs/dbraw/zinc/11/55/80/564115580.db2.gz PFMBKFVQLFWOEE-NVXWUHKLSA-N 1 0 334.529 4.312 50 0 EIAARO Cc1cc(Cl)cc(C)c1OCCOCC[NH2+]Cc1ccccc1 ZINC000002822228 564116924 /nfs/dbraw/zinc/11/69/24/564116924.db2.gz WZBJENIOBSYDSR-UHFFFAOYSA-N 1 0 333.859 4.142 50 0 EIAARO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC[C@H]2c2ccsc2)c1C ZINC000252458452 564118622 /nfs/dbraw/zinc/11/86/22/564118622.db2.gz INIZFICLLUGPQC-CJNGLKHVSA-N 1 0 344.480 4.304 50 0 EIAARO CC(C)CC[NH2+][C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000007738585 564122509 /nfs/dbraw/zinc/12/25/09/564122509.db2.gz MMMLINKOVFSOMY-CYBMUJFWSA-N 1 0 341.480 4.348 50 0 EIAARO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1cccc(O)c1 ZINC000194924086 564122576 /nfs/dbraw/zinc/12/25/76/564122576.db2.gz MRAPMCBEUCQZTH-AWEZNQCLSA-N 1 0 339.464 4.194 50 0 EIAARO COc1ccc2cc(C[N@H+](C)[C@@H](C)C(=O)Nc3ccccc3)ccc2c1 ZINC000007926777 564125537 /nfs/dbraw/zinc/12/55/37/564125537.db2.gz JWNWPMXPZGLRKK-INIZCTEOSA-N 1 0 348.446 4.307 50 0 EIAARO Cc1ccc(-c2c(C)n(O)c(C)c(-c3ccc(F)cc3)[n+]2=O)cc1 ZINC000136930069 564129542 /nfs/dbraw/zinc/12/95/42/564129542.db2.gz KNGQVYNPDQRFJL-UHFFFAOYSA-N 1 0 325.363 4.038 50 0 EIAARO O[C@H](C[C@H]1CCCCCN1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416132 564130715 /nfs/dbraw/zinc/13/07/15/564130715.db2.gz WJVHRCCVMUSQPT-HZPDHXFCSA-N 1 0 330.428 4.013 50 0 EIAARO CCOc1cc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)ccc1OC ZINC000055211533 564134460 /nfs/dbraw/zinc/13/44/60/564134460.db2.gz ITSQQZSECCPMNG-OAQYLSRUSA-N 1 0 334.419 4.077 50 0 EIAARO CC(C)[N@@H+]1CC[C@@H](Nc2nc(-c3cccs3)nc3ccccc32)C1 ZINC000095377632 564139355 /nfs/dbraw/zinc/13/93/55/564139355.db2.gz IEOBRRPCNMSPQH-CQSZACIVSA-N 1 0 338.480 4.253 50 0 EIAARO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000095376637 564139363 /nfs/dbraw/zinc/13/93/63/564139363.db2.gz LESKDYXXNAAZAE-VQIMIIECSA-N 1 0 344.499 4.301 50 0 EIAARO Cc1ccc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)o1 ZINC000095419408 564139799 /nfs/dbraw/zinc/13/97/99/564139799.db2.gz XZJJRNYRUBSTJE-AWEZNQCLSA-N 1 0 346.858 4.197 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)s1 ZINC000095420153 564139889 /nfs/dbraw/zinc/13/98/89/564139889.db2.gz ZOHFTIHYOPXZAO-ZDUSSCGKSA-N 1 0 331.872 4.497 50 0 EIAARO CC[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)CCO2 ZINC000095420162 564139915 /nfs/dbraw/zinc/13/99/15/564139915.db2.gz DZULSJUXHUJJSJ-OAQYLSRUSA-N 1 0 347.462 4.107 50 0 EIAARO COC(=O)Nc1ccc(C[NH2+][C@H](C)c2nc3ccccc3s2)cc1 ZINC000095420437 564139949 /nfs/dbraw/zinc/13/99/49/564139949.db2.gz UCDGMBCBHXXQIL-GFCCVEGCSA-N 1 0 341.436 4.325 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1cccc(N2CCOC2=O)c1 ZINC000095421011 564139979 /nfs/dbraw/zinc/13/99/79/564139979.db2.gz XZFXTRAPJWMCCJ-DYVFJYSZSA-N 1 0 342.464 4.433 50 0 EIAARO C[C@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cnc2ccsc2c1 ZINC000095420667 564139990 /nfs/dbraw/zinc/13/99/90/564139990.db2.gz HKQJDDQAEJYEPF-HNNXBMFYSA-N 1 0 348.475 4.392 50 0 EIAARO O[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)Cc2ccccc21 ZINC000095466723 564141051 /nfs/dbraw/zinc/14/10/51/564141051.db2.gz CYPBDSLQOXMBSM-IBGZPJMESA-N 1 0 331.843 4.048 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 ZINC000095958773 564142629 /nfs/dbraw/zinc/14/26/29/564142629.db2.gz JVVWCCXGHIASHJ-OXQOHEQNSA-N 1 0 332.451 4.055 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)c1ccncc1 ZINC000095967102 564142979 /nfs/dbraw/zinc/14/29/79/564142979.db2.gz HASZEFNXAZPMFZ-QLJPJBMISA-N 1 0 335.220 4.321 50 0 EIAARO C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)c1ccsc1 ZINC000095968800 564143284 /nfs/dbraw/zinc/14/32/84/564143284.db2.gz DWMLYWVSPXOKBK-KGLIPLIRSA-N 1 0 330.453 4.159 50 0 EIAARO Cc1ccc(C[NH2+][C@H](C)c2cccs2)c(OC[C@@H]2CCOC2)c1 ZINC000095969171 564143304 /nfs/dbraw/zinc/14/33/04/564143304.db2.gz IQBBDRXDGINPRJ-HZPDHXFCSA-N 1 0 331.481 4.323 50 0 EIAARO Cc1ccccc1C[NH+]1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096024380 564144862 /nfs/dbraw/zinc/14/48/62/564144862.db2.gz SNMYMMQBCXLXAN-UHFFFAOYSA-N 1 0 339.464 4.486 50 0 EIAARO Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc4ccccc4n3)CC2)n1 ZINC000096477887 564148459 /nfs/dbraw/zinc/14/84/59/564148459.db2.gz VESCMSXMACLXQU-KRWDZBQOSA-N 1 0 346.478 4.258 50 0 EIAARO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000096478021 564148545 /nfs/dbraw/zinc/14/85/45/564148545.db2.gz CQMSTLFMGHXWRX-HRAATJIYSA-N 1 0 337.467 4.256 50 0 EIAARO C[C@H](C(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)n1ccnc1 ZINC000056483105 564152543 /nfs/dbraw/zinc/15/25/43/564152543.db2.gz SOJYKHLSICQEDA-IAQYHMDHSA-N 1 0 338.238 4.115 50 0 EIAARO CCCC[NH2+]CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002981059 564154211 /nfs/dbraw/zinc/15/42/11/564154211.db2.gz GVTWWOGMVHNPIJ-UHFFFAOYSA-N 1 0 340.678 4.432 50 0 EIAARO Cc1cccc(C)c1NC(=S)N1CCC([N@H+](C)C2CCCC2)CC1 ZINC000003058406 564154800 /nfs/dbraw/zinc/15/48/00/564154800.db2.gz HCHUIMRNZABTAI-UHFFFAOYSA-N 1 0 345.556 4.339 50 0 EIAARO Cc1ccc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000003264905 564156747 /nfs/dbraw/zinc/15/67/47/564156747.db2.gz WSZYXNJFDLZEKL-CJNGLKHVSA-N 1 0 334.510 4.073 50 0 EIAARO CCN1N=C2/C(=C/c3ccc(C)cc3)C[NH2+]C[C@H]2[C@H]1c1ccc(C)cc1 ZINC000058024189 564157272 /nfs/dbraw/zinc/15/72/72/564157272.db2.gz SWQBZQSVTPIJFW-OHTJAAIASA-N 1 0 345.490 4.339 50 0 EIAARO C[C@@H](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000003455890 564158245 /nfs/dbraw/zinc/15/82/45/564158245.db2.gz NAOBXQQJEIURCD-PKOBYXMFSA-N 1 0 340.467 4.117 50 0 EIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccccc2CC)CC1 ZINC000003588751 564159084 /nfs/dbraw/zinc/15/90/84/564159084.db2.gz XRTUHNWRPLNHLD-UHFFFAOYSA-N 1 0 333.545 4.142 50 0 EIAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004011372 564160025 /nfs/dbraw/zinc/16/00/25/564160025.db2.gz STYAGPHRIVPVTJ-FUHIMQAGSA-N 1 0 337.463 4.090 50 0 EIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000008157002 564163236 /nfs/dbraw/zinc/16/32/36/564163236.db2.gz IWDZBCFNOIPMPQ-MRXNPFEDSA-N 1 0 347.846 4.282 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000040096500 564168009 /nfs/dbraw/zinc/16/80/09/564168009.db2.gz HTPIGDHLMOBYBX-HNNXBMFYSA-N 1 0 337.876 4.134 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000040480037 564169858 /nfs/dbraw/zinc/16/98/58/564169858.db2.gz NFLXCESPLJYFDL-CQSZACIVSA-N 1 0 344.405 4.052 50 0 EIAARO CCc1cccc2c(C[NH2+]CCn3c(C)nc4ccccc43)c[nH]c21 ZINC000009613785 564174343 /nfs/dbraw/zinc/17/43/43/564174343.db2.gz KYRAUVGWLFWQAA-UHFFFAOYSA-N 1 0 332.451 4.178 50 0 EIAARO Cc1ccc([C@H](C(=O)NC2CCCC2)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000009834799 564174676 /nfs/dbraw/zinc/17/46/76/564174676.db2.gz RWNXKLSXBTXDBA-FUHIMQAGSA-N 1 0 328.500 4.073 50 0 EIAARO CCOC1=C(C[NH+](C)C)[C@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000071405272 564175007 /nfs/dbraw/zinc/17/50/07/564175007.db2.gz SMZKINMCPJGVHA-IBGZPJMESA-N 1 0 327.399 4.269 50 0 EIAARO Cc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc1 ZINC000010139673 564175095 /nfs/dbraw/zinc/17/50/95/564175095.db2.gz ADDBBFGAFYSSGS-UHFFFAOYSA-N 1 0 347.462 4.294 50 0 EIAARO Cc1cc(C)cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000010281634 564175260 /nfs/dbraw/zinc/17/52/60/564175260.db2.gz XBFRZERGBBZDSV-UHFFFAOYSA-N 1 0 336.479 4.219 50 0 EIAARO Cc1ccsc1C[N@@H+]1CCCCCNC(=O)C[C@H]1c1ccccc1 ZINC000257179811 1022650414 /nfs/dbraw/zinc/65/04/14/1022650414.db2.gz JNBIOHUBIWABTD-SFHVURJKSA-N 1 0 342.508 4.290 50 0 EIAARO CCC(C)(C)C(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257190893 1022756556 /nfs/dbraw/zinc/75/65/56/1022756556.db2.gz ODHHUBLBQVSNKW-IBGZPJMESA-N 1 0 342.527 4.497 50 0 EIAARO COc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(OC)c1C ZINC000004982444 1025110558 /nfs/dbraw/zinc/11/05/58/1025110558.db2.gz VJGNWMYULLZXJF-SFHVURJKSA-N 1 0 326.440 4.134 50 0 EIAARO CC1(C)CC(NC(=O)c2ccccc2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000005013706 1025197039 /nfs/dbraw/zinc/19/70/39/1025197039.db2.gz RQNIWVZVNBPWBF-UHFFFAOYSA-N 1 0 336.479 4.393 50 0 EIAARO CC(C)COc1cccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000152515481 1042887623 /nfs/dbraw/zinc/88/76/23/1042887623.db2.gz AQUAVOBLQFXVGK-VOIUYBSRSA-N 1 0 345.508 4.310 50 0 EIAARO CC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000011839188 1043294297 /nfs/dbraw/zinc/29/42/97/1043294297.db2.gz ZGVBNKJUIVLIME-UHFFFAOYSA-N 1 0 342.527 4.041 50 0 EIAARO CO[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000012300477 1044645334 /nfs/dbraw/zinc/64/53/34/1044645334.db2.gz QZKWQDXNBQDDJD-NRFANRHFSA-N 1 0 347.462 4.355 50 0 EIAARO O=C(Cc1ccc(F)cc1Cl)Nc1ccccc1C[NH+]1CCCC1 ZINC000827848331 1044909372 /nfs/dbraw/zinc/90/93/72/1044909372.db2.gz ANGYWWLEZNYVND-UHFFFAOYSA-N 1 0 346.833 4.256 50 0 EIAARO Cc1oc(C(C)C)cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1C ZINC000585082046 1049384877 /nfs/dbraw/zinc/38/48/77/1049384877.db2.gz VMDAKHDVJWWBKE-UHFFFAOYSA-N 1 0 344.455 4.213 50 0 EIAARO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000585081475 1049390505 /nfs/dbraw/zinc/39/05/05/1049390505.db2.gz VFJUUZTVRIVUMP-UHFFFAOYSA-N 1 0 337.423 4.483 50 0 EIAARO CC[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@H]1CCOC(C)(C)C1 ZINC000585084880 1049446713 /nfs/dbraw/zinc/44/67/13/1049446713.db2.gz YFZKXMLHXMBORX-HNNXBMFYSA-N 1 0 345.405 4.407 50 0 EIAARO Cc1cc2ccccc2c(N2CCC(c3noc(C(C)C)n3)CC2)[nH+]1 ZINC000585085560 1049459979 /nfs/dbraw/zinc/45/99/79/1049459979.db2.gz USGGINRTVFKZBR-UHFFFAOYSA-N 1 0 336.439 4.434 50 0 EIAARO Fc1ccc([C@H]2CN(Cc3cccc(-c4cccnc4)c3)CCO2)cc1 ZINC000179427257 1049567773 /nfs/dbraw/zinc/56/77/73/1049567773.db2.gz IJTXODCUFRTECU-JOCHJYFZSA-N 1 0 348.421 4.461 50 0 EIAARO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc3cccc(OC)c3n2)cc1 ZINC000952962218 1049682177 /nfs/dbraw/zinc/68/21/77/1049682177.db2.gz AYUNKOYYHQGTOX-OAHLLOKOSA-N 1 0 336.435 4.445 50 0 EIAARO C[C@H](c1ccccn1)[N@H+](C)C1CCN(c2cccc(Cl)c2)CC1 ZINC000952970691 1049684617 /nfs/dbraw/zinc/68/46/17/1049684617.db2.gz FDFVIWSPNJQZHY-OAHLLOKOSA-N 1 0 329.875 4.397 50 0 EIAARO Cc1cccc(N2CCC([NH2+]Cc3cccc(O)c3Cl)CC2)c1 ZINC000952976751 1049686175 /nfs/dbraw/zinc/68/61/75/1049686175.db2.gz XXWXMBJVOPZYAI-UHFFFAOYSA-N 1 0 330.859 4.113 50 0 EIAARO COc1ccc(/C=C/C[NH2+]C2CCN(c3cccc(C)c3)CC2)cc1 ZINC000952968624 1049688948 /nfs/dbraw/zinc/68/89/48/1049688948.db2.gz HNUBKOBFHDEXGX-GQCTYLIASA-N 1 0 336.479 4.275 50 0 EIAARO COC[C@@H](C)N(Cc1ccccc1C)Cc1cccc(O)c1Cl ZINC000952985980 1049690674 /nfs/dbraw/zinc/69/06/74/1049690674.db2.gz VFTPLXZTSRQJCS-OAHLLOKOSA-N 1 0 333.859 4.391 50 0 EIAARO CCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC23CCCCC3)cc1 ZINC000449253951 1054244806 /nfs/dbraw/zinc/24/48/06/1054244806.db2.gz VFJYRECUCCOVLC-GOSISDBHSA-N 1 0 335.513 4.073 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581805522 1060015823 /nfs/dbraw/zinc/01/58/23/1060015823.db2.gz BKNJRCXCGPQJOR-SFHVURJKSA-N 1 0 329.488 4.203 50 0 EIAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)C2CC2)cc1 ZINC000010351413 201797114 /nfs/dbraw/zinc/79/71/14/201797114.db2.gz YKBYCKPRRQPDIL-FZKQIMNGSA-N 1 0 344.405 4.341 50 0 EIAARO C[C@@H](NC(=O)C[N@H+](C)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000016334365 201974548 /nfs/dbraw/zinc/97/45/48/201974548.db2.gz RKSCDTCXFMBOAF-GFCCVEGCSA-N 1 0 343.298 4.435 50 0 EIAARO Fc1ccc(C[n+]2cc(-c3ccc(Cl)cc3)n3c2CCC3)cc1 ZINC000016956628 201982766 /nfs/dbraw/zinc/98/27/66/201982766.db2.gz OHDCIDXNGRALRA-UHFFFAOYSA-N 1 0 327.810 4.230 50 0 EIAARO COc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1 ZINC000017207961 201987509 /nfs/dbraw/zinc/98/75/09/201987509.db2.gz TYQBVFAEPCLITM-UHFFFAOYSA-N 1 0 339.846 4.099 50 0 EIAARO Cc1ccccc1C[NH+]1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019360220 202005449 /nfs/dbraw/zinc/00/54/49/202005449.db2.gz NTJSXLFPKFFCFG-UHFFFAOYSA-N 1 0 348.412 4.332 50 0 EIAARO C[NH+](C)CCN(Cc1ccccc1)Cc1cccc(Br)c1 ZINC000019636590 202015089 /nfs/dbraw/zinc/01/50/89/202015089.db2.gz QZRIMYYSVCYJKC-UHFFFAOYSA-N 1 0 347.300 4.013 50 0 EIAARO CCc1ccc2c(c1)Sc1ccccc1C[C@@H]2[NH+]1CCN(C)CC1 ZINC000019802417 202022036 /nfs/dbraw/zinc/02/20/36/202022036.db2.gz MATADNMOHBGGPF-IBGZPJMESA-N 1 0 338.520 4.245 50 0 EIAARO O=C(c1c(C[NH+]2CCCCC2)oc2ccc(O)cc21)c1ccccc1 ZINC000019925176 202026819 /nfs/dbraw/zinc/02/68/19/202026819.db2.gz HEDKCZYKRPJYSG-UHFFFAOYSA-N 1 0 335.403 4.355 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H](O)c1ccccc1 ZINC000020312639 202037707 /nfs/dbraw/zinc/03/77/07/202037707.db2.gz BYJGOCWNKCACRL-JPYJTQIMSA-N 1 0 347.458 4.477 50 0 EIAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020100440 202031786 /nfs/dbraw/zinc/03/17/86/202031786.db2.gz BYPJWYZPGGFUGU-UHFFFAOYSA-N 1 0 344.474 4.044 50 0 EIAARO CC[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868933 202056082 /nfs/dbraw/zinc/05/60/82/202056082.db2.gz NOMXEOYYSQBBDO-LEWJYISDSA-N 1 0 327.443 4.303 50 0 EIAARO CN1CC[NH+](CC[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020590846 202050058 /nfs/dbraw/zinc/05/00/58/202050058.db2.gz XKKQWHDMZSAMNH-FQEVSTJZSA-N 1 0 328.887 4.109 50 0 EIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C(C)(C)C)cc1 ZINC000020680810 202052390 /nfs/dbraw/zinc/05/23/90/202052390.db2.gz ACJVCTLMOYINIQ-UHFFFAOYSA-N 1 0 335.451 4.436 50 0 EIAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2CC)cc1OC ZINC000021720954 202069357 /nfs/dbraw/zinc/06/93/57/202069357.db2.gz FITYSZFLZBSASA-INIZCTEOSA-N 1 0 344.455 4.290 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)Nc3ccccc3F)CC2)C1 ZINC000021718269 202069756 /nfs/dbraw/zinc/06/97/56/202069756.db2.gz PTZAXJNQYRJYTE-IYBDPMFKSA-N 1 0 347.478 4.048 50 0 EIAARO CCC(C)(C)[NH2+]CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000024841340 202121198 /nfs/dbraw/zinc/12/11/98/202121198.db2.gz WRJWWDJEMFBRKA-IBGZPJMESA-N 1 0 344.886 4.324 50 0 EIAARO C=C1c2ccccc2NC(=O)N1C[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000025049779 202126141 /nfs/dbraw/zinc/12/61/41/202126141.db2.gz KALJBNVTWCRNBW-FQEVSTJZSA-N 1 0 335.451 4.370 50 0 EIAARO C[N@H+](Cc1nc(-c2cccs2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000027782623 202160938 /nfs/dbraw/zinc/16/09/38/202160938.db2.gz SRMDRDSPRQSXLY-UHFFFAOYSA-N 1 0 343.496 4.446 50 0 EIAARO Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583886 202157239 /nfs/dbraw/zinc/15/72/39/202157239.db2.gz FLFCJWNVDLHLTR-IBGZPJMESA-N 1 0 342.870 4.215 50 0 EIAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccco1 ZINC000027582637 202157269 /nfs/dbraw/zinc/15/72/69/202157269.db2.gz VKTXWIVHFAZLNV-QGZVFWFLSA-N 1 0 346.858 4.280 50 0 EIAARO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)cc(OC)c1OC ZINC000039979629 202166234 /nfs/dbraw/zinc/16/62/34/202166234.db2.gz IMBLOKVOKWQGAT-JKSUJKDBSA-N 1 0 335.488 4.407 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c2c1cccc2Cl ZINC000028296754 202169450 /nfs/dbraw/zinc/16/94/50/202169450.db2.gz ZBMWXQGMDJSFMW-CRFBAAHOSA-N 1 0 348.918 4.441 50 0 EIAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000040152248 202180264 /nfs/dbraw/zinc/18/02/64/202180264.db2.gz CXAHRZGUNQLQOW-UHFFFAOYSA-N 1 0 349.837 4.075 50 0 EIAARO CN1CCC([NH2+]CC[C@](C)(Cc2ccccc2)c2ccccc2)CC1 ZINC000031807734 202209017 /nfs/dbraw/zinc/20/90/17/202209017.db2.gz YJFGBFWRWATYMM-HSZRJFAPSA-N 1 0 336.523 4.261 50 0 EIAARO C[C@H](CCCC(C)(C)O)CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000032582129 202227730 /nfs/dbraw/zinc/22/77/30/202227730.db2.gz HVSLWNDFMZVPDM-RTBURBONSA-N 1 0 332.532 4.070 50 0 EIAARO Cc1ccc(C)c(C[N@@H+](C[C@@H](O)COc2ccccc2C)C(C)C)c1 ZINC000036031682 202312680 /nfs/dbraw/zinc/31/26/80/202312680.db2.gz VPVOOIGJPNHMMI-OAQYLSRUSA-N 1 0 341.495 4.262 50 0 EIAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036100048 202314516 /nfs/dbraw/zinc/31/45/16/202314516.db2.gz RPVVSUKCTRLWDZ-JOCHJYFZSA-N 1 0 325.496 4.447 50 0 EIAARO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000071876677 202352559 /nfs/dbraw/zinc/35/25/59/202352559.db2.gz BQROWEDMRDIXPZ-IBGZPJMESA-N 1 0 336.439 4.029 50 0 EIAARO COc1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc(OC)c1OC ZINC000008402994 201362673 /nfs/dbraw/zinc/36/26/73/201362673.db2.gz XQRWVLYBJVRVPB-GVDBMIGSSA-N 1 0 333.472 4.161 50 0 EIAARO CCCC[N@H+](C)Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12 ZINC000002117429 201359106 /nfs/dbraw/zinc/35/91/06/201359106.db2.gz YBLKXYBOJQQOOQ-UHFFFAOYSA-N 1 0 337.419 4.398 50 0 biogenic EIAARO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)Nc2cccnc2)s1 ZINC000023251323 212364767 /nfs/dbraw/zinc/36/47/67/212364767.db2.gz SCKSUSVTTVNSRX-HNNXBMFYSA-N 1 0 329.469 4.188 50 0 EIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000022781609 212324206 /nfs/dbraw/zinc/32/42/06/212324206.db2.gz RJORDFZYVWBMQC-LBPRGKRZSA-N 1 0 335.831 4.217 50 0 EIAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc([C@@H]2CCCCO2)s1 ZINC000215004767 241098864 /nfs/dbraw/zinc/09/88/64/241098864.db2.gz LUUAEGMCBUSCML-HNNXBMFYSA-N 1 0 336.526 4.429 50 0 EIAARO C[C@H](c1ccccn1)N(C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215722566 241141136 /nfs/dbraw/zinc/14/11/36/241141136.db2.gz SKMJBBNAOACBJT-MRXNPFEDSA-N 1 0 329.513 4.322 50 0 EIAARO COC[C@H](c1ccccn1)[N@H+](C)Cc1cccc(-c2ccc(C)o2)c1 ZINC000215736538 241142749 /nfs/dbraw/zinc/14/27/49/241142749.db2.gz OAAPYOLMHQLDDR-HXUWFJFHSA-N 1 0 336.435 4.470 50 0 EIAARO COC[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(-c2ccc(C)o2)c1 ZINC000215736485 241144977 /nfs/dbraw/zinc/14/49/77/241144977.db2.gz OAAPYOLMHQLDDR-FQEVSTJZSA-N 1 0 336.435 4.470 50 0 EIAARO Cc1n[nH]c(C)c1[C@H](C)N(C)Cc1cnc(C2CCCCC2)nc1 ZINC000215913805 241154327 /nfs/dbraw/zinc/15/43/27/241154327.db2.gz BOFWUBLIJVBPHK-HNNXBMFYSA-N 1 0 327.476 4.057 50 0 EIAARO Cc1noc(CC2CC[NH+](Cc3ccc(-c4ccco4)cc3)CC2)n1 ZINC000216319118 241183536 /nfs/dbraw/zinc/18/35/36/241183536.db2.gz XFYBRERMMXYYHR-UHFFFAOYSA-N 1 0 337.423 4.093 50 0 EIAARO CCCCc1nc(Cl)c(CN2CCC[C@H]2c2c(C)noc2C)[nH]1 ZINC000216343850 241184265 /nfs/dbraw/zinc/18/42/65/241184265.db2.gz AKAAQOLNMRMZSY-AWEZNQCLSA-N 1 0 336.867 4.348 50 0 EIAARO COc1cc(OC)c(C[N@H+](C)[C@@H](C)Cc2cc(C)ccn2)cc1Cl ZINC000215476051 241128240 /nfs/dbraw/zinc/12/82/40/241128240.db2.gz GATTZLHVYIIXIE-AWEZNQCLSA-N 1 0 348.874 4.124 50 0 EIAARO CC(C)CC[C@H](CC[NH2+]C[C@@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000002332751 201529762 /nfs/dbraw/zinc/52/97/62/201529762.db2.gz YESDLGNBFIQNOS-AEFFLSMTSA-N 1 0 333.472 4.094 50 0 EIAARO Cc1cc(Cl)ccc1OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000002940438 201551752 /nfs/dbraw/zinc/55/17/52/201551752.db2.gz GJXGWWYASKEQEX-HNNXBMFYSA-N 1 0 327.896 4.193 50 0 EIAARO CC(C)[NH2+]C[C@@H](O)Cn1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000003073616 201555768 /nfs/dbraw/zinc/55/57/68/201555768.db2.gz PXGOIOUHKMXSQH-HXUWFJFHSA-N 1 0 334.463 4.181 50 0 EIAARO Cc1nc(CC[N@H+](CCCO)Cc2cccc3ccccc32)cs1 ZINC000244840235 243088941 /nfs/dbraw/zinc/08/89/41/243088941.db2.gz UJKQSNOAAMYPFE-UHFFFAOYSA-N 1 0 340.492 4.032 50 0 EIAARO Cc1ccsc1C[N@H+](Cc1cc(-c2ccncc2)no1)C1CC1 ZINC000244873246 243091799 /nfs/dbraw/zinc/09/17/99/243091799.db2.gz WMLQWCGSYFNFDZ-UHFFFAOYSA-N 1 0 325.437 4.271 50 0 EIAARO COCC(=O)Nc1ccccc1-c1ccc([C@H](C)[NH+]2CCCC2)cc1 ZINC000067756681 202932419 /nfs/dbraw/zinc/93/24/19/202932419.db2.gz BTDRKCPHYYNZOG-INIZCTEOSA-N 1 0 338.451 4.095 50 0 EIAARO Cc1nnc(C)n1-c1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1Cl ZINC000071770404 203112194 /nfs/dbraw/zinc/11/21/94/203112194.db2.gz CLGWWLLHDRLWPT-KRWDZBQOSA-N 1 0 347.249 4.239 50 0 EIAARO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000071405840 203095487 /nfs/dbraw/zinc/09/54/87/203095487.db2.gz VRMCLMTWLFQGGD-OAHLLOKOSA-N 1 0 337.389 4.273 50 0 EIAARO FC(F)(F)c1ccccc1CC[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000071639356 203102623 /nfs/dbraw/zinc/10/26/23/203102623.db2.gz RFOFOUQVOFJCTC-AWEZNQCLSA-N 1 0 337.389 4.273 50 0 EIAARO CCc1ncc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071746853 203104416 /nfs/dbraw/zinc/10/44/16/203104416.db2.gz QJCCQCYKZUDUGV-OAHLLOKOSA-N 1 0 345.437 4.162 50 0 EIAARO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000071735495 203105099 /nfs/dbraw/zinc/10/50/99/203105099.db2.gz KZNDHRIFEROQJX-HNNXBMFYSA-N 1 0 337.389 4.273 50 0 EIAARO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1ccc2ccccc2n1 ZINC000071767409 203111389 /nfs/dbraw/zinc/11/13/89/203111389.db2.gz LDPYHPSUJRODNP-NRFANRHFSA-N 1 0 334.463 4.049 50 0 EIAARO CCC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000071794744 203114071 /nfs/dbraw/zinc/11/40/71/203114071.db2.gz DAALYVVBYUATEC-NSHDSACASA-N 1 0 336.357 4.303 50 0 EIAARO CCc1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)s1 ZINC000071862775 203131973 /nfs/dbraw/zinc/13/19/73/203131973.db2.gz GZOPLGCKBAOLQD-UHFFFAOYSA-N 1 0 343.496 4.069 50 0 EIAARO C[C@H]1C[NH+](CCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 ZINC000020167327 212108157 /nfs/dbraw/zinc/10/81/57/212108157.db2.gz LBXLFNZMNYGFSZ-GJZGRUSLSA-N 1 0 333.859 4.371 50 0 EIAARO CC[NH+](CC)[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000072303402 203197816 /nfs/dbraw/zinc/19/78/16/203197816.db2.gz IKUHQWVBLNZFSB-GOSISDBHSA-N 1 0 348.918 4.095 50 0 EIAARO COc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000072428516 203222540 /nfs/dbraw/zinc/22/25/40/203222540.db2.gz HORHKTWQYNFVNZ-CQSZACIVSA-N 1 0 335.806 4.183 50 0 EIAARO C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1cccs1 ZINC000073102738 203256843 /nfs/dbraw/zinc/25/68/43/203256843.db2.gz FRWQHDXMCJSSAY-AWEZNQCLSA-N 1 0 341.480 4.007 50 0 EIAARO Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCC[N@@H+](C)C1 ZINC000075567331 203318679 /nfs/dbraw/zinc/31/86/79/203318679.db2.gz MOAZAZMSTNXWJY-UHFFFAOYSA-N 1 0 333.479 4.274 50 0 EIAARO c1cnn(CCC2CC[NH+](Cc3ccc([C@H]4CCCCO4)o3)CC2)c1 ZINC000077377761 203384671 /nfs/dbraw/zinc/38/46/71/203384671.db2.gz QMWQINJOVIFOJU-LJQANCHMSA-N 1 0 343.471 4.020 50 0 EIAARO Cc1ccc(-c2csc(NC(=O)c3ccn4c[nH+]cc4c3)n2)cc1C ZINC000089643325 203584552 /nfs/dbraw/zinc/58/45/52/203584552.db2.gz UECXHEDKPUKBEZ-UHFFFAOYSA-N 1 0 348.431 4.327 50 0 EIAARO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000089865046 203597413 /nfs/dbraw/zinc/59/74/13/203597413.db2.gz JLNRUGXCNORKCS-MRXNPFEDSA-N 1 0 338.451 4.036 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1OCc1ccccc1 ZINC000095983758 203786030 /nfs/dbraw/zinc/78/60/30/203786030.db2.gz QJBBUCADNSODJC-ZIFCJYIRSA-N 1 0 325.452 4.484 50 0 EIAARO CCN(CC[NH+]1CCCCCC1)Cc1ccc([C@H]2CCCCO2)o1 ZINC000097324012 203939689 /nfs/dbraw/zinc/93/96/89/203939689.db2.gz XBNPNLBTQFJLSQ-LJQANCHMSA-N 1 0 334.504 4.219 50 0 EIAARO CC(C)CC[C@]1(CC[NH2+]C2CCN(C)CC2)CCO[C@@H](C(C)C)C1 ZINC000008992494 205890894 /nfs/dbraw/zinc/89/08/94/205890894.db2.gz UOPPJLUPPAPMDX-RTWAWAEBSA-N 1 0 338.580 4.318 50 0 EIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(Br)cc1 ZINC000004985438 206497801 /nfs/dbraw/zinc/49/78/01/206497801.db2.gz VENRHWCVGMCFJY-ZDUSSCGKSA-N 1 0 334.257 4.266 50 0 EIAARO COCc1cc([C@H](C)[NH2+]Cc2cccc3cccnc32)ccc1OC ZINC000095421284 218363132 /nfs/dbraw/zinc/36/31/32/218363132.db2.gz PXLKWUFEKYMVIU-HNNXBMFYSA-N 1 0 336.435 4.241 50 0 EIAARO COc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ncccc1C)C(C)C)CCO2 ZINC000095422487 218365043 /nfs/dbraw/zinc/36/50/43/218365043.db2.gz QIVMZPLCSIVGGT-IEBWSBKVSA-N 1 0 326.440 4.209 50 0 EIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000012355578 207114735 /nfs/dbraw/zinc/11/47/35/207114735.db2.gz QHTAGZZQLMXAIY-INIZCTEOSA-N 1 0 349.887 4.360 50 0 EIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCCCCC4)[C@H]3C=C12 ZINC000012881134 207255724 /nfs/dbraw/zinc/25/57/24/207255724.db2.gz UCPHWVCWCWZMDK-JFQNMGATSA-N 1 0 331.500 4.177 50 0 biogenic EIAARO COc1cc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc(OC)c1 ZINC000000172243 258047801 /nfs/dbraw/zinc/04/78/01/258047801.db2.gz HMFZPNSTJNRDDL-UHFFFAOYSA-N 1 0 337.419 4.155 50 0 EIAARO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000328596457 258043063 /nfs/dbraw/zinc/04/30/63/258043063.db2.gz RGROLLZTPMGMHG-NWDGAFQWSA-N 1 0 325.334 4.095 50 0 EIAARO Cc1ccc(C[NH+]2CCC(c3n[nH]cc3CCc3ccccc3)CC2)o1 ZINC000299802764 258105624 /nfs/dbraw/zinc/10/56/24/258105624.db2.gz PDNGDVHYUAVXAN-UHFFFAOYSA-N 1 0 349.478 4.476 50 0 EIAARO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cccs2)[C@H]2CCCC[C@@H]21 ZINC000072477892 258064836 /nfs/dbraw/zinc/06/48/36/258064836.db2.gz XCVJEQVPBWQJQD-SLFFLAALSA-N 1 0 327.493 4.400 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 ZINC000057369625 132200085 /nfs/dbraw/zinc/20/00/85/132200085.db2.gz GSANSHMHDXCJMM-OXJNMPFZSA-N 1 0 334.463 4.022 50 0 EIAARO CC[NH+]1CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc32)CC1 ZINC000000137417 135645399 /nfs/dbraw/zinc/64/53/99/135645399.db2.gz GCUZNVMJVDRJHQ-UHFFFAOYSA-N 1 0 346.478 4.056 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2F)cc1 ZINC000012445784 525156282 /nfs/dbraw/zinc/15/62/82/525156282.db2.gz ISPJJVIQZRGCDD-GFCCVEGCSA-N 1 0 343.377 4.214 50 0 EIAARO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1)Nc1nccs1 ZINC000029064942 526699610 /nfs/dbraw/zinc/69/96/10/526699610.db2.gz QBAAOFOGHJVECD-UHFFFAOYSA-N 1 0 347.459 4.056 50 0 EIAARO CC[C@H](C)[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248249874 536170654 /nfs/dbraw/zinc/17/06/54/536170654.db2.gz RXRURJZOOQSXPI-HNNXBMFYSA-N 1 0 338.430 4.021 50 0 EIAARO COc1cccc([C@@H]2CC[N@@H+]2Cc2ccc(-n3cccn3)cc2C)c1 ZINC000215344087 537138997 /nfs/dbraw/zinc/13/89/97/537138997.db2.gz RTQRGHPNPOEJGU-NRFANRHFSA-N 1 0 333.435 4.136 50 0 EIAARO CSc1nnc(CN[C@@H](C)c2ccc(SC(F)F)cc2)s1 ZINC000253418241 564130879 /nfs/dbraw/zinc/13/08/79/564130879.db2.gz XSTCXFIVOWSQFW-QMMMGPOBSA-N 1 0 347.481 4.426 50 0 EIAARO C[C@@H](C[NH+]1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1 ZINC000000007042 563211487 /nfs/dbraw/zinc/21/14/87/563211487.db2.gz WVZSEUPGUDIELE-HTAPYJJXSA-N 1 0 339.479 4.016 50 0 in-vivo EIAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2cccc(OC)c2)CC1 ZINC000000317640 563283395 /nfs/dbraw/zinc/28/33/95/563283395.db2.gz PDRGLESYZMBCSX-UHFFFAOYSA-N 1 0 338.495 4.182 50 0 EIAARO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000002178112 563425478 /nfs/dbraw/zinc/42/54/78/563425478.db2.gz KWSJNROGXMPADP-UHFFFAOYSA-N 1 0 333.859 4.435 50 0 EIAARO CCOc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(C)C ZINC000002886050 563461746 /nfs/dbraw/zinc/46/17/46/563461746.db2.gz OMBHHSJTABSWHN-UHFFFAOYSA-N 1 0 327.468 4.452 50 0 EIAARO CC(C)(CO)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000004657408 563506909 /nfs/dbraw/zinc/50/69/09/563506909.db2.gz GHIBHUJVAFDCIF-UHFFFAOYSA-N 1 0 335.447 4.279 50 0 EIAARO CCC[NH2+]Cc1cc(OCC)c(OCCC)cc1Br ZINC000004670841 563507247 /nfs/dbraw/zinc/50/72/47/563507247.db2.gz QLFQFKRLZUGULR-UHFFFAOYSA-N 1 0 330.266 4.136 50 0 EIAARO Clc1cccc(CN2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC000004744581 563509891 /nfs/dbraw/zinc/50/98/91/563509891.db2.gz PHHGTFKDKJELBL-UHFFFAOYSA-N 1 0 340.898 4.363 50 0 EIAARO COc1ccc(CC[N@H+](C)C2C3CC4CC(C3)CC2C4)cc1OC ZINC000004989195 563517891 /nfs/dbraw/zinc/51/78/91/563517891.db2.gz VEZXLXXUIXEVOQ-UHFFFAOYSA-N 1 0 329.484 4.003 50 0 EIAARO CCOC(=O)C1CC[NH+](CCCCSc2ccc(C)cc2)CC1 ZINC000006702718 563580798 /nfs/dbraw/zinc/58/07/98/563580798.db2.gz VLSRGCJVBIHWDH-UHFFFAOYSA-N 1 0 335.513 4.142 50 0 EIAARO CC[N@H+](CCC(=O)Nc1cccc(Cl)c1C)Cc1ccccc1 ZINC000002760721 563610232 /nfs/dbraw/zinc/61/02/32/563610232.db2.gz SIMVOVBNYYICJD-UHFFFAOYSA-N 1 0 330.859 4.499 50 0 EIAARO CC[C@@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000008325964 563626444 /nfs/dbraw/zinc/62/64/44/563626444.db2.gz KYAZAVCFDKWATR-CYBMUJFWSA-N 1 0 334.847 4.211 50 0 EIAARO O=C(Nc1cccc(F)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063301 563641610 /nfs/dbraw/zinc/64/16/10/563641610.db2.gz OAMJDAKOCLFGNO-UHFFFAOYSA-N 1 0 346.833 4.330 50 0 EIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1C1CCCCCCC1 ZINC000012134816 563654291 /nfs/dbraw/zinc/65/42/91/563654291.db2.gz NHLIZROZLMZLLZ-IBGZPJMESA-N 1 0 346.490 4.409 50 0 EIAARO O=C(C1CCCC1)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012197102 563655879 /nfs/dbraw/zinc/65/58/79/563655879.db2.gz RLUAJDIJBBENAS-OAQYLSRUSA-N 1 0 332.532 4.071 50 0 EIAARO COC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000012316295 563658101 /nfs/dbraw/zinc/65/81/01/563658101.db2.gz XNSOIFLKRNEHPJ-KRWDZBQOSA-N 1 0 347.462 4.212 50 0 EIAARO COCCC[NH2+]Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012386211 563659727 /nfs/dbraw/zinc/65/97/27/563659727.db2.gz ZVQGSYFTEKOGIP-UHFFFAOYSA-N 1 0 349.478 4.282 50 0 EIAARO Cc1ccccc1Oc1ncccc1C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000012438725 563660850 /nfs/dbraw/zinc/66/08/50/563660850.db2.gz JIMAOTAHEYSCLX-KRWDZBQOSA-N 1 0 340.467 4.477 50 0 EIAARO Cc1ccc(-n2ncc3c2ncnc3NCc2ccccc2)cc1Cl ZINC000004354701 563665763 /nfs/dbraw/zinc/66/57/63/563665763.db2.gz MRAYGTSVKBKSKP-UHFFFAOYSA-N 1 0 349.825 4.389 50 0 EIAARO Cc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)s1 ZINC000012712336 563668731 /nfs/dbraw/zinc/66/87/31/563668731.db2.gz VJCRZIHTZXJEHK-IBGZPJMESA-N 1 0 333.472 4.013 50 0 EIAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccccc1 ZINC000012925048 563677481 /nfs/dbraw/zinc/67/74/81/563677481.db2.gz KYEIIYQQRLBFDZ-GOSISDBHSA-N 1 0 343.858 4.299 50 0 EIAARO Cc1nc2cc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)ccc2o1 ZINC000014198818 563749650 /nfs/dbraw/zinc/74/96/50/563749650.db2.gz BYACLGOSLQTXOO-UHFFFAOYSA-N 1 0 349.434 4.374 50 0 EIAARO CCc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)o1 ZINC000014953918 563768100 /nfs/dbraw/zinc/76/81/00/563768100.db2.gz KLEVJYPJAAFBPZ-FQEVSTJZSA-N 1 0 347.886 4.313 50 0 EIAARO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000014973600 563769680 /nfs/dbraw/zinc/76/96/80/563769680.db2.gz MMKLUGAVGZCCCZ-AWEZNQCLSA-N 1 0 335.538 4.199 50 0 EIAARO c1cc([C@@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)n[nH]1 ZINC000014989171 563770415 /nfs/dbraw/zinc/77/04/15/563770415.db2.gz XPSYTHXOYVBZCF-HXUWFJFHSA-N 1 0 347.462 4.368 50 0 EIAARO O=C(Nc1cccc(F)c1)[C@@H]1CC12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014995420 563770922 /nfs/dbraw/zinc/77/09/22/563770922.db2.gz OSHGBSDQLVGQEE-APWZRJJASA-N 1 0 342.458 4.223 50 0 EIAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000015065035 563775177 /nfs/dbraw/zinc/77/51/77/563775177.db2.gz KAHQFNRZUXMVSU-UHFFFAOYSA-N 1 0 347.524 4.354 50 0 EIAARO COCC[N@H+](C)Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000015068960 563775577 /nfs/dbraw/zinc/77/55/77/563775577.db2.gz MITNICREWJABLW-UHFFFAOYSA-N 1 0 349.478 4.234 50 0 EIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000015866875 563797872 /nfs/dbraw/zinc/79/78/72/563797872.db2.gz BLPSKGPHWJIHQP-AWEZNQCLSA-N 1 0 328.441 4.080 50 0 EIAARO CC[NH+](CC)Cc1cccc(NC(=O)Cc2cc(C)sc2C)c1 ZINC000072309536 563916775 /nfs/dbraw/zinc/91/67/75/563916775.db2.gz CWKNICJXNQZKHW-UHFFFAOYSA-N 1 0 330.497 4.388 50 0 EIAARO Cc1cc(Cl)cc(C)c1OCCCCCC[NH+]1CCOCC1 ZINC000019721079 563918125 /nfs/dbraw/zinc/91/81/25/563918125.db2.gz FWKPECPNZCJYIX-UHFFFAOYSA-N 1 0 325.880 4.228 50 0 EIAARO C/C(=C\c1ccccc1)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019634572 563918169 /nfs/dbraw/zinc/91/81/69/563918169.db2.gz UNBNAYPWGSIPEP-FIIWLBIUSA-N 1 0 332.491 4.421 50 0 EIAARO COc1ccccc1N1CC[NH+](C2CCC(C(C)(C)C)CC2)CC1 ZINC000023283441 563919396 /nfs/dbraw/zinc/91/93/96/563919396.db2.gz YFXUWEUEKJALIG-UHFFFAOYSA-N 1 0 330.516 4.422 50 0 EIAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCc2ccccc2C1 ZINC000038835919 563922317 /nfs/dbraw/zinc/92/23/17/563922317.db2.gz QECPIQXKAZWEPV-UHFFFAOYSA-N 1 0 348.490 4.261 50 0 EIAARO [NH3+][C@H](CO)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000039160105 563922544 /nfs/dbraw/zinc/92/25/44/563922544.db2.gz ZBGBEDOUDIAIHO-OAQYLSRUSA-N 1 0 349.499 4.031 50 0 EIAARO CC[C@H](CO)[N@H+](Cc1cccs1)Cc1cnc2ccccc2c1 ZINC000055309942 563934417 /nfs/dbraw/zinc/93/44/17/563934417.db2.gz JWLQLZZCRVHAKZ-QGZVFWFLSA-N 1 0 326.465 4.069 50 0 EIAARO CCCn1ncc(C[N@H+](Cc2ccc(SC)cc2)C2CC2)c1C ZINC000055393123 563934774 /nfs/dbraw/zinc/93/47/74/563934774.db2.gz NRFUYVYXPZVRAV-UHFFFAOYSA-N 1 0 329.513 4.488 50 0 EIAARO Cc1ccc(C[N@@H+](C)Cc2cc(=O)oc3cc4c(cc23)CCC4)cc1 ZINC000058160625 563938317 /nfs/dbraw/zinc/93/83/17/563938317.db2.gz MCFGBMXKDGLXCD-UHFFFAOYSA-N 1 0 333.431 4.222 50 0 EIAARO CSCc1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)c1 ZINC000058381740 563944425 /nfs/dbraw/zinc/94/44/25/563944425.db2.gz PLJRFHYROOFNOV-LJQANCHMSA-N 1 0 348.556 4.180 50 0 EIAARO Cc1sc2ncnc(NC[C@H](c3ccc(F)cc3)[NH+](C)C)c2c1C ZINC000059394182 563948788 /nfs/dbraw/zinc/94/87/88/563948788.db2.gz KMYZCCDHWXFYII-OAHLLOKOSA-N 1 0 344.459 4.162 50 0 EIAARO CC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H]3C)cc2)c1 ZINC000065505038 563961708 /nfs/dbraw/zinc/96/17/08/563961708.db2.gz UPIXDTFEOMDLPO-OAHLLOKOSA-N 1 0 336.435 4.126 50 0 EIAARO Cc1cc(C)c(C(=O)NCC2=CCC[N@@H+]([C@H]3C=CCCC3)C2)c(C)c1 ZINC000065528276 563961859 /nfs/dbraw/zinc/96/18/59/563961859.db2.gz BFPYUYKPNQRRAZ-FQEVSTJZSA-N 1 0 338.495 4.082 50 0 EIAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000067691672 563962533 /nfs/dbraw/zinc/96/25/33/563962533.db2.gz MGEDQPGACPZYKD-LJQANCHMSA-N 1 0 347.462 4.470 50 0 EIAARO CCC(=O)N1CCC([NH2+][C@@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000097016566 563966750 /nfs/dbraw/zinc/96/67/50/563966750.db2.gz KLILUWGKQWFEPS-JTQLQIEISA-N 1 0 347.261 4.184 50 0 EIAARO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000585134811 563971845 /nfs/dbraw/zinc/97/18/45/563971845.db2.gz KOGXGQFSUDCGIM-LPHOPBHVSA-N 1 0 336.435 4.158 50 0 EIAARO CCC[C@]1(CO)CCC[N@H+](Cc2ccc(OCC)c(Cl)c2)C1 ZINC000091254954 563975130 /nfs/dbraw/zinc/97/51/30/563975130.db2.gz GMZWXVWYMISHHW-SFHVURJKSA-N 1 0 325.880 4.113 50 0 EIAARO CCC[C@@]1(CO)CCC[N@H+](Cc2ccc(OCC)c(Cl)c2)C1 ZINC000091254956 563975160 /nfs/dbraw/zinc/97/51/60/563975160.db2.gz GMZWXVWYMISHHW-GOSISDBHSA-N 1 0 325.880 4.113 50 0 EIAARO OCc1cccc(C[C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000091625224 563975570 /nfs/dbraw/zinc/97/55/70/563975570.db2.gz YWGAHQYAZYFHGB-HNNXBMFYSA-N 1 0 333.834 4.036 50 0 EIAARO Cc1c(C(=O)N(C)CC[C@@H](C)[NH+]2CCCC2)[nH]c2c1c(C)ccc2C ZINC000091695441 563975683 /nfs/dbraw/zinc/97/56/83/563975683.db2.gz HOCXGCVZFARXDG-MRXNPFEDSA-N 1 0 341.499 4.040 50 0 EIAARO CC[NH+](CC)C[C@H]1CCCN1C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000092077951 563976070 /nfs/dbraw/zinc/97/60/70/563976070.db2.gz ZGXZWJAYCQKTCS-QGZVFWFLSA-N 1 0 341.499 4.040 50 0 EIAARO FC(F)(F)c1cc(Br)ccc1C[NH2+]Cc1cccnc1 ZINC000133260872 563976343 /nfs/dbraw/zinc/97/63/43/563976343.db2.gz UFTSHPCSUGSRGE-UHFFFAOYSA-N 1 0 345.162 4.153 50 0 EIAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000095352349 563976700 /nfs/dbraw/zinc/97/67/00/563976700.db2.gz VYVKGRXMRSOHTB-NRFANRHFSA-N 1 0 348.490 4.028 50 0 EIAARO Fc1cccc(CN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1F ZINC000095354058 563976702 /nfs/dbraw/zinc/97/67/02/563976702.db2.gz HRBGTCMWHWMKEE-PKOBYXMFSA-N 1 0 342.433 4.061 50 0 EIAARO Cc1nc2[nH]nc(N)c2c(C)c1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000096140015 563979493 /nfs/dbraw/zinc/97/94/93/563979493.db2.gz PPJHNVMKKFNHMX-OAHLLOKOSA-N 1 0 349.482 4.371 50 0 EIAARO Cc1ccc2[nH+]ccc(N(C)Cc3cc(-c4ccncc4)no3)c2c1 ZINC000096150425 563979671 /nfs/dbraw/zinc/97/96/71/563979671.db2.gz SSESJTDZGQCWLB-UHFFFAOYSA-N 1 0 330.391 4.230 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000004817289 563981252 /nfs/dbraw/zinc/98/12/52/563981252.db2.gz VPRPANWSSJGICN-KURKYZTESA-N 1 0 336.479 4.418 50 0 EIAARO Cc1cccc2[nH]c([C@@H]3CCC[N@@H+](Cc4cncn4C(C)C)C3)nc21 ZINC000097212973 563981399 /nfs/dbraw/zinc/98/13/99/563981399.db2.gz NVQFZQPJPDQMQM-MRXNPFEDSA-N 1 0 337.471 4.028 50 0 EIAARO Cc1cc([C@@H]2CCCN2Cc2cnn(-c3ccccc3Cl)c2)on1 ZINC000097346986 563981491 /nfs/dbraw/zinc/98/14/91/563981491.db2.gz QNMHQPWTJFMPSP-KRWDZBQOSA-N 1 0 342.830 4.159 50 0 EIAARO CC(C)CC[N@H+](C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000261516 563989680 /nfs/dbraw/zinc/98/96/80/563989680.db2.gz FWUDPQOOVFDEFH-UHFFFAOYSA-N 1 0 337.895 4.314 50 0 EIAARO CCc1cccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)c1 ZINC000000263833 563989840 /nfs/dbraw/zinc/98/98/40/563989840.db2.gz RDXMWPNMNAXHIP-OAHLLOKOSA-N 1 0 345.512 4.164 50 0 EIAARO Cc1c(Cl)cccc1NC(=S)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000000261023 563989923 /nfs/dbraw/zinc/98/99/23/563989923.db2.gz OIXMEIILMZUSJV-UHFFFAOYSA-N 1 0 339.936 4.150 50 0 EIAARO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000248038925 563995062 /nfs/dbraw/zinc/99/50/62/563995062.db2.gz UJBUNJBNRVMAAW-LMMKCTJWSA-N 1 0 337.529 4.324 50 0 EIAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000248148807 563995311 /nfs/dbraw/zinc/99/53/11/563995311.db2.gz ISVHPCPXQSCKQP-UWJYYQICSA-N 1 0 336.479 4.009 50 0 EIAARO C[NH2+]C[C@@H]1CCN(C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)C1 ZINC000178966935 563996180 /nfs/dbraw/zinc/99/61/80/563996180.db2.gz ZAUCAOFJQHERBM-ZDUSSCGKSA-N 1 0 348.899 4.058 50 0 EIAARO CCOc1ccc(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000078725063 564000888 /nfs/dbraw/zinc/00/08/88/564000888.db2.gz DNESPELDLGHKMY-KRWDZBQOSA-N 1 0 326.484 4.304 50 0 EIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000005446628 564004104 /nfs/dbraw/zinc/00/41/04/564004104.db2.gz YTJILCCPFZPZBS-MJGOQNOKSA-N 1 0 340.854 4.097 50 0 EIAARO CC(=O)Nc1ccc(C[NH2+]CCSc2ccc(Cl)cc2)cc1 ZINC000017316471 564011653 /nfs/dbraw/zinc/01/16/53/564011653.db2.gz ODWMVSRVKXBRGC-UHFFFAOYSA-N 1 0 334.872 4.180 50 0 EIAARO COc1ccc(Cn2c(-c3ccc(C)cc3)c[n+]3ccccc23)cc1 ZINC000000492591 564017645 /nfs/dbraw/zinc/01/76/45/564017645.db2.gz NLKQOQPQCOLHSP-UHFFFAOYSA-N 1 0 329.423 4.259 50 0 EIAARO CC[NH+]1CCC(Nc2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000018057095 564017827 /nfs/dbraw/zinc/01/78/27/564017827.db2.gz ZPKLTJYPQHASEC-UHFFFAOYSA-N 1 0 338.480 4.255 50 0 EIAARO CCC[C@@H](c1ccccn1)N(C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000107543086 564026992 /nfs/dbraw/zinc/02/69/92/564026992.db2.gz XDSHYHWFEAJAAR-BEFAXECRSA-N 1 0 343.446 4.329 50 0 EIAARO CC(=O)Nc1cc(N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1F ZINC000108363173 564028224 /nfs/dbraw/zinc/02/82/24/564028224.db2.gz DDCCHXWVFAHEHD-RDTXWAMCSA-N 1 0 341.430 4.032 50 0 EIAARO CC1(C)CC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC(C)(C)[NH2+]1 ZINC000048341845 564031250 /nfs/dbraw/zinc/03/12/50/564031250.db2.gz FBGTXRYDXIBPBE-UHFFFAOYSA-N 1 0 343.393 4.136 50 0 EIAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000058161294 564035595 /nfs/dbraw/zinc/03/55/95/564035595.db2.gz LLYXFXHPGPYIAR-ZDUSSCGKSA-N 1 0 336.357 4.131 50 0 EIAARO Fc1cccc(Cl)c1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000058165457 564035599 /nfs/dbraw/zinc/03/55/99/564035599.db2.gz SAJLSNUPASGUQM-UHFFFAOYSA-N 1 0 332.850 4.233 50 0 EIAARO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccccc2OC(F)F)cc1 ZINC000028926315 564047640 /nfs/dbraw/zinc/04/76/40/564047640.db2.gz CHTSCQMYJWJVIS-LBPRGKRZSA-N 1 0 334.366 4.097 50 0 EIAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCC(C)CC2)c2c1cccc2Cl ZINC000012421933 564051231 /nfs/dbraw/zinc/05/12/31/564051231.db2.gz LMNWQRSULUAYSC-INIZCTEOSA-N 1 0 334.891 4.004 50 0 EIAARO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000241231277 564051924 /nfs/dbraw/zinc/05/19/24/564051924.db2.gz KTPIETSVWZMBFI-LLVKDONJSA-N 1 0 346.887 4.356 50 0 EIAARO Fc1ccccc1Cn1cc(C[NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000247495996 564052752 /nfs/dbraw/zinc/05/27/52/564052752.db2.gz CXRIWZCUQFSYRE-GOSISDBHSA-N 1 0 338.426 4.097 50 0 EIAARO Cc1ccc(Cn2nc(C[NH2+]CCC(C)C)c(-c3ccccc3)n2)cc1 ZINC000248072323 564052947 /nfs/dbraw/zinc/05/29/47/564052947.db2.gz GNPOTXCNEXVUPM-UHFFFAOYSA-N 1 0 348.494 4.438 50 0 EIAARO CSc1ccc(C[NH2+]CCNc2ccc(C(F)(F)F)cn2)cc1 ZINC000079061150 564053636 /nfs/dbraw/zinc/05/36/36/564053636.db2.gz XPUJTISCUKEIGE-UHFFFAOYSA-N 1 0 341.402 4.024 50 0 EIAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2Cl)cc1 ZINC000012530374 564058280 /nfs/dbraw/zinc/05/82/80/564058280.db2.gz KYAJHJDITYDGBR-UHFFFAOYSA-N 1 0 327.815 4.029 50 0 EIAARO Fc1ccc(-c2n[nH]cc2C[NH2+]CCSc2ccccc2)cc1 ZINC000012541032 564058628 /nfs/dbraw/zinc/05/86/28/564058628.db2.gz ADHJHUXAJRBWDT-UHFFFAOYSA-N 1 0 327.428 4.098 50 0 EIAARO S=c1n(-c2ccccc2)cnn1CN1CCC[C@@H]1c1ccccc1 ZINC000012564589 564059682 /nfs/dbraw/zinc/05/96/82/564059682.db2.gz OMSSFSQTJVJCKN-GOSISDBHSA-N 1 0 336.464 4.198 50 0 EIAARO CCN(CC[NH+](CC)CC)C(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299769950 564060745 /nfs/dbraw/zinc/06/07/45/564060745.db2.gz KKLXEQAACNHUEK-UHFFFAOYSA-N 1 0 348.878 4.084 50 0 EIAARO CCSCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299770006 564060780 /nfs/dbraw/zinc/06/07/80/564060780.db2.gz OCCLUSIEQMVNCU-XHSDSOJGSA-N 1 0 329.469 4.016 50 0 EIAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000012676959 564062601 /nfs/dbraw/zinc/06/26/01/564062601.db2.gz DPYLJPSTHMKXIE-KPZWWZAWSA-N 1 0 330.378 4.033 50 0 EIAARO CN(C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)[C@@H]1CCCc2ccccc21 ZINC000083855802 564063831 /nfs/dbraw/zinc/06/38/31/564063831.db2.gz LZKDECIYLKGNLC-FGZHOGPDSA-N 1 0 348.490 4.142 50 0 EIAARO C[N@H+](CCOc1ccc2ccccc2c1)Cc1ccc2c(c1)OCO2 ZINC000083861030 564063974 /nfs/dbraw/zinc/06/39/74/564063974.db2.gz RXJBUBNQUXNLPH-UHFFFAOYSA-N 1 0 335.403 4.079 50 0 EIAARO c1nn(-c2ccccc2)cc1CC[NH2+]Cc1ccc2ccccc2c1 ZINC000084573032 564068772 /nfs/dbraw/zinc/06/87/72/564068772.db2.gz IYGZDHFHQHBVHU-UHFFFAOYSA-N 1 0 327.431 4.358 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1ccccc1Cl ZINC000084736172 564069898 /nfs/dbraw/zinc/06/98/98/564069898.db2.gz HTSGLJDFMSEAQY-PMUMKWKESA-N 1 0 334.891 4.028 50 0 EIAARO c1nc(-c2ncccn2)sc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000084956071 564070580 /nfs/dbraw/zinc/07/05/80/564070580.db2.gz NNXRQEBDZIDZPB-KRWDZBQOSA-N 1 0 336.464 4.231 50 0 EIAARO CSc1nc(-c2ccccc2)c2cc3c(cc2[n+]1C(C)C)OCO3 ZINC000000398933 564075952 /nfs/dbraw/zinc/07/59/52/564075952.db2.gz TYGRKOTZPQREPJ-UHFFFAOYSA-N 1 0 339.440 4.221 50 0 EIAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000012936408 564079329 /nfs/dbraw/zinc/07/93/29/564079329.db2.gz XFLVZTALHWDAFU-UHFFFAOYSA-N 1 0 347.462 4.436 50 0 EIAARO c1nc(-c2cnccn2)sc1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000088701891 564079738 /nfs/dbraw/zinc/07/97/38/564079738.db2.gz WQKHEHUCANKAQF-SFHVURJKSA-N 1 0 336.464 4.231 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCSC2)C1)c1cnc2ccsc2c1 ZINC000090541216 564084628 /nfs/dbraw/zinc/08/46/28/564084628.db2.gz JYHJNCFERKXGDJ-DXCKQFNASA-N 1 0 334.510 4.002 50 0 EIAARO C[N@H+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000006356966 564085314 /nfs/dbraw/zinc/08/53/14/564085314.db2.gz BSUZRRRWQJRWOS-NRFANRHFSA-N 1 0 339.479 4.358 50 0 EIAARO Fc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c(F)c1 ZINC000239426002 564088133 /nfs/dbraw/zinc/08/81/33/564088133.db2.gz VOXCPUZBKUNEOO-PMACEKPBSA-N 1 0 334.454 4.194 50 0 EIAARO Cc1cccc(C)c1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246128050 564088967 /nfs/dbraw/zinc/08/89/67/564088967.db2.gz IGPYNVWOPXOSNE-RTBURBONSA-N 1 0 343.515 4.422 50 0 EIAARO c1ccc(OCCOc2ccc(C[C@@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC000001900548 564089201 /nfs/dbraw/zinc/08/92/01/564089201.db2.gz RNXDIOGUOAVZFX-HXUWFJFHSA-N 1 0 337.463 4.029 50 0 EIAARO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(-c2cccs2)cc1F ZINC000054174697 564090398 /nfs/dbraw/zinc/09/03/98/564090398.db2.gz GZRRWSNWJRHLDS-KRWDZBQOSA-N 1 0 341.455 4.455 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1 ZINC000169677134 564098077 /nfs/dbraw/zinc/09/80/77/564098077.db2.gz XHPGQVSCFQFLCZ-UYAOXDASSA-N 1 0 327.468 4.035 50 0 EIAARO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000065286102 564104393 /nfs/dbraw/zinc/10/43/93/564104393.db2.gz GNJOCUCLGSXHDD-GOSISDBHSA-N 1 0 334.423 4.167 50 0 EIAARO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@H](C(C)C)CC3)nc(=O)c2c1C ZINC000170627032 564110571 /nfs/dbraw/zinc/11/05/71/564110571.db2.gz VIXKSAZKHSYMDJ-HIFRSBDPSA-N 1 0 347.528 4.421 50 0 EIAARO O=C(c1ccoc1)N1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000089826062 564114035 /nfs/dbraw/zinc/11/40/35/564114035.db2.gz LVQZAIKJMBVWFI-FQEVSTJZSA-N 1 0 338.451 4.015 50 0 EIAARO Cc1cc(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)nc(N(C)C)n1 ZINC000252487635 564119401 /nfs/dbraw/zinc/11/94/01/564119401.db2.gz HYQCBUGEABYKMF-SFHVURJKSA-N 1 0 326.488 4.118 50 0 EIAARO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(Cl)cs1 ZINC000194429747 564120506 /nfs/dbraw/zinc/12/05/06/564120506.db2.gz SXRANUOJLBQLQR-BIBXISHDSA-N 1 0 327.902 4.332 50 0 EIAARO CC[NH2+]Cc1ccccc1NC(=O)c1ccnc(Oc2ccccc2)c1 ZINC000170676465 564121356 /nfs/dbraw/zinc/12/13/56/564121356.db2.gz GNSBYJMHCQCTCY-UHFFFAOYSA-N 1 0 347.418 4.236 50 0 EIAARO COCC[NH2+]Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000247910940 564124523 /nfs/dbraw/zinc/12/45/23/564124523.db2.gz YKKPEYDKQODVCY-UHFFFAOYSA-N 1 0 346.833 4.218 50 0 EIAARO CN(CC[N@H+](C)C(C)(C)C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000002275025 564125590 /nfs/dbraw/zinc/12/55/90/564125590.db2.gz OUPLFPPBLRTXTE-UHFFFAOYSA-N 1 0 338.495 4.007 50 0 EIAARO CC(C)n1cc([C@H](C)[NH2+]Cc2cc(F)cc(Br)c2)cn1 ZINC000095420664 564140004 /nfs/dbraw/zinc/14/00/04/564140004.db2.gz RIENMJDFVCIWRV-NSHDSACASA-N 1 0 340.240 4.216 50 0 EIAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1Cn1cccn1 ZINC000095419420 564139797 /nfs/dbraw/zinc/13/97/97/564139797.db2.gz SCIFRFILUMUNJU-CVEARBPZSA-N 1 0 339.439 4.253 50 0 EIAARO CSCC[C@@H]([NH2+][C@H](C)c1cccc(C)c1)c1nnc2ccccn21 ZINC000095419562 564139836 /nfs/dbraw/zinc/13/98/36/564139836.db2.gz KVQVFBJSCAZXGB-NVXWUHKLSA-N 1 0 340.496 4.183 50 0 EIAARO COC(=O)Nc1ccc(C[NH2+][C@H](C)c2cnc3ccsc3c2)cc1 ZINC000095420447 564139906 /nfs/dbraw/zinc/13/99/06/564139906.db2.gz GZBURGLAWMAMPI-GFCCVEGCSA-N 1 0 341.436 4.325 50 0 EIAARO CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccs1 ZINC000095420842 564139975 /nfs/dbraw/zinc/13/99/75/564139975.db2.gz IDPAVSGUUHVFCG-DLBZAZTESA-N 1 0 344.480 4.107 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000095423196 564140221 /nfs/dbraw/zinc/14/02/21/564140221.db2.gz KDFMCXUBKDVLCS-PAXLWEDBSA-N 1 0 338.451 4.073 50 0 EIAARO CC(C)[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CS1 ZINC000331380852 564140551 /nfs/dbraw/zinc/14/05/51/564140551.db2.gz IQQKRJCOWHHCOJ-KSZLIROESA-N 1 0 347.528 4.128 50 0 EIAARO Cn1cc(CC[NH2+]Cc2c(Cl)cccc2Oc2ccccc2)cn1 ZINC000095455757 564140649 /nfs/dbraw/zinc/14/06/49/564140649.db2.gz AFQOWYBZMSKCKY-UHFFFAOYSA-N 1 0 341.842 4.198 50 0 EIAARO CS[C@@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000095967430 564143042 /nfs/dbraw/zinc/14/30/42/564143042.db2.gz MUNJNPOELPDDNT-ZWKOTPCHSA-N 1 0 337.504 4.138 50 0 EIAARO Cc1nc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)sc1C ZINC000095968780 564143247 /nfs/dbraw/zinc/14/32/47/564143247.db2.gz HYZZAHPORYEQDE-CYBMUJFWSA-N 1 0 326.469 4.105 50 0 EIAARO Cc1nc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)sc1C ZINC000095968779 564143262 /nfs/dbraw/zinc/14/32/62/564143262.db2.gz HYZZAHPORYEQDE-ZDUSSCGKSA-N 1 0 326.469 4.105 50 0 EIAARO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)c(OC[C@H]2CCOC2)c1 ZINC000095969170 564143339 /nfs/dbraw/zinc/14/33/39/564143339.db2.gz IQBBDRXDGINPRJ-HOTGVXAUSA-N 1 0 331.481 4.323 50 0 EIAARO Cc1cc(C)n(C[C@@H](C)C[NH2+]C2c3ccccc3-c3ccccc32)n1 ZINC000095996299 564144225 /nfs/dbraw/zinc/14/42/25/564144225.db2.gz UHFWDTQEZAWODD-HNNXBMFYSA-N 1 0 331.463 4.496 50 0 EIAARO C[NH+](C)CCO[C@H](c1ccccc1)c1ccccc1Br ZINC000096026460 564144966 /nfs/dbraw/zinc/14/49/66/564144966.db2.gz DCMSLAQPTQXLDH-QGZVFWFLSA-N 1 0 334.257 4.117 50 0 EIAARO CCC(=O)O[C@@H](c1ccccc1)[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000096027117 564144981 /nfs/dbraw/zinc/14/49/81/564144981.db2.gz XYISHAFTUAWSFR-FPOVZHCZSA-N 1 0 325.452 4.101 50 0 EIAARO Cc1cnc(C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)cn1 ZINC000096476668 564148503 /nfs/dbraw/zinc/14/85/03/564148503.db2.gz FYYKIAOMBVUMTQ-KRWDZBQOSA-N 1 0 346.272 4.179 50 0 EIAARO CC(C)[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)c2cccnc12 ZINC000055919144 564150989 /nfs/dbraw/zinc/15/09/89/564150989.db2.gz GILBUXXPAYOBJQ-UHFFFAOYSA-N 1 0 328.847 4.032 50 0 EIAARO CCn1[nH+]c(C)c2ccc3c4c(cc(C(=O)C(F)(F)F)c1c42)CC3 ZINC000670417829 564151015 /nfs/dbraw/zinc/15/10/15/564151015.db2.gz MUJCSOIATZKBLX-UHFFFAOYSA-N 1 0 332.325 4.361 50 0 EIAARO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3cccs3)c2cc1Cl ZINC000057024646 564153216 /nfs/dbraw/zinc/15/32/16/564153216.db2.gz BYJKDJHDNCFJDB-UHFFFAOYSA-N 1 0 333.840 4.448 50 0 EIAARO CC[N@H+](Cc1cccs1)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000057752718 564155688 /nfs/dbraw/zinc/15/56/88/564155688.db2.gz PBKBTAZYNMCMRZ-UHFFFAOYSA-N 1 0 327.449 4.493 50 0 EIAARO CN(C(=O)c1cc2sc3ccccc3c2s1)C1CC[NH+](C)CC1 ZINC000003185468 564155782 /nfs/dbraw/zinc/15/57/82/564155782.db2.gz IZMYBMSWABHUNQ-UHFFFAOYSA-N 1 0 344.505 4.282 50 0 EIAARO C[C@H](NC(=O)Nc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003207158 564155955 /nfs/dbraw/zinc/15/59/55/564155955.db2.gz YWYIJPAYNZMWDV-GUYCJALGSA-N 1 0 347.459 4.234 50 0 EIAARO O[C@H](C[NH2+][C@@H]1CCCc2ccccc21)COc1ccc2ccccc2c1 ZINC000003401916 564157955 /nfs/dbraw/zinc/15/79/55/564157955.db2.gz IFKJZRBFDUBHHF-NFBKMPQASA-N 1 0 347.458 4.247 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000040480035 564169838 /nfs/dbraw/zinc/16/98/38/564169838.db2.gz NFLXCESPLJYFDL-AWEZNQCLSA-N 1 0 344.405 4.052 50 0 EIAARO Clc1ccc2oc(C3CC[NH+](Cc4cccnc4)CC3)nc2c1 ZINC000040549072 564170640 /nfs/dbraw/zinc/17/06/40/564170640.db2.gz KKZREXFXAYFXCC-UHFFFAOYSA-N 1 0 327.815 4.256 50 0 EIAARO Cc1c2c(c(C)n1-c1ccccc1)[C@@]1(CC(=O)CC(C)(C)C1)[NH2+]CC2 ZINC000009378969 564173204 /nfs/dbraw/zinc/17/32/04/564173204.db2.gz UAOHYPBNSCOENB-QFIPXVFZSA-N 1 0 336.479 4.214 50 0 EIAARO COc1cccc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)c1 ZINC000009478543 564173807 /nfs/dbraw/zinc/17/38/07/564173807.db2.gz LSEWQOHCQPDHFH-HNNXBMFYSA-N 1 0 341.436 4.144 50 0 EIAARO C[N@H+](Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1)C1CCCCC1 ZINC000009494574 564173863 /nfs/dbraw/zinc/17/38/63/564173863.db2.gz DVLIYZSMEWFRDP-UHFFFAOYSA-N 1 0 343.452 4.421 50 0 EIAARO CSc1ccc(Cl)c(C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000009917212 564174821 /nfs/dbraw/zinc/17/48/21/564174821.db2.gz ORQYKSKQZOXAIM-UHFFFAOYSA-N 1 0 348.899 4.054 50 0 EIAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000010281719 564175243 /nfs/dbraw/zinc/17/52/43/564175243.db2.gz OPDRXHZATKTCAV-UHFFFAOYSA-N 1 0 336.479 4.219 50 0 EIAARO CCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000010281704 564175248 /nfs/dbraw/zinc/17/52/48/564175248.db2.gz SOZYEHRSZHYSDG-UHFFFAOYSA-N 1 0 336.479 4.165 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cccc2ccccc21)c1ccc(F)cc1 ZINC000010329676 564175264 /nfs/dbraw/zinc/17/52/64/564175264.db2.gz BCYKJLSGASWZPA-HXUWFJFHSA-N 1 0 336.410 4.012 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)Nc1ccccc1)c1cccc2ccccc21 ZINC000010330376 564175283 /nfs/dbraw/zinc/17/52/83/564175283.db2.gz HEPMHEYRJKFWNH-HXUWFJFHSA-N 1 0 333.435 4.264 50 0 EIAARO CC[NH+](CC)[C@@H]1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000023374024 1021400654 /nfs/dbraw/zinc/40/06/54/1021400654.db2.gz CEWHECCTAGHYFT-QGZVFWFLSA-N 1 0 347.890 4.220 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1C[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581807485 1021877942 /nfs/dbraw/zinc/87/79/42/1021877942.db2.gz JJUXPSVKRWPQRY-KRWDZBQOSA-N 1 0 343.515 4.278 50 0 EIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(COc2ccncc2)C1 ZINC000257195728 1022776312 /nfs/dbraw/zinc/77/63/12/1022776312.db2.gz WTNYAERFADSZAT-OAQYLSRUSA-N 1 0 340.467 4.161 50 0 EIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000022912982 1026370034 /nfs/dbraw/zinc/37/00/34/1026370034.db2.gz QPSKFCOVMSTLNG-MRXNPFEDSA-N 1 0 349.931 4.283 50 0 EIAARO C[N@H+](CCOCCOc1ccc2ccccc2c1)Cc1ccccc1 ZINC000002823023 1026393452 /nfs/dbraw/zinc/39/34/52/1026393452.db2.gz NUPKHJHZBWQOOF-UHFFFAOYSA-N 1 0 335.447 4.367 50 0 EIAARO O=c1c(CN2CCc3ccccc3C2)coc2ccc(Cl)cc21 ZINC000023281239 1031341948 /nfs/dbraw/zinc/34/19/48/1031341948.db2.gz BRWIQGKBMWIJDD-UHFFFAOYSA-N 1 0 325.795 4.005 50 0 EIAARO CCC(CC)C(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257193398 1036599232 /nfs/dbraw/zinc/59/92/32/1036599232.db2.gz YMFSZKOYEFVKHX-FQEVSTJZSA-N 1 0 342.527 4.497 50 0 EIAARO O=C(c1cccc(C(F)F)c1)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000171545424 1037471997 /nfs/dbraw/zinc/47/19/97/1037471997.db2.gz ZTYSGBUQIGAQEZ-KRWDZBQOSA-N 1 0 342.389 4.249 50 0 EIAARO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CCSCC3)C2)c1 ZINC000012430000 1043213806 /nfs/dbraw/zinc/21/38/06/1043213806.db2.gz ZBNHEUQCSBYTRB-KRWDZBQOSA-N 1 0 347.524 4.264 50 0 EIAARO COc1cc(C[NH+]2CC(c3ccncc3)C2)ccc1OCC=C(C)C ZINC000824609399 1044520221 /nfs/dbraw/zinc/52/02/21/1044520221.db2.gz IEROSCBRTULOGJ-UHFFFAOYSA-N 1 0 338.451 4.035 50 0 EIAARO Cc1cnc(-c2ccncc2)n1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000575545796 1045254704 /nfs/dbraw/zinc/25/47/04/1045254704.db2.gz JVNLCEJEULANST-FQEVSTJZSA-N 1 0 338.499 4.471 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000575544964 1045254860 /nfs/dbraw/zinc/25/48/60/1045254860.db2.gz CYFHDVPECIKYSO-MRXNPFEDSA-N 1 0 348.450 4.028 50 0 EIAARO Cc1cnc(-c2ccccc2)n1C[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000575547527 1045255779 /nfs/dbraw/zinc/25/57/79/1045255779.db2.gz HJZVLWVXGQSUES-LJQANCHMSA-N 1 0 346.478 4.166 50 0 EIAARO Cc1cnc(C2CC2)n1[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546559 1045256144 /nfs/dbraw/zinc/25/61/44/1045256144.db2.gz QFEBZXDHQDDUIH-SFHVURJKSA-N 1 0 334.467 4.387 50 0 EIAARO CCOC1CC2(C1)CC[N@H+](Cc1ccc(C(F)(F)F)cc1C)C2 ZINC000585084555 1049430557 /nfs/dbraw/zinc/43/05/57/1049430557.db2.gz UZHICVGOWBZFIV-UHFFFAOYSA-N 1 0 327.390 4.405 50 0 EIAARO CCC(CC)n1ncc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1C ZINC000585088217 1049480847 /nfs/dbraw/zinc/48/08/47/1049480847.db2.gz PIUIQKJNOAVNIB-UHFFFAOYSA-N 1 0 342.487 4.175 50 0 EIAARO CCSc1ccccc1NC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000952871724 1049679349 /nfs/dbraw/zinc/67/93/49/1049679349.db2.gz CKVJZWXHHCLKRY-UHFFFAOYSA-N 1 0 344.480 4.242 50 0 EIAARO Cc1nccn1CCC[NH2+]Cc1ccc(SC2CCCCC2)o1 ZINC000952966673 1049686155 /nfs/dbraw/zinc/68/61/55/1049686155.db2.gz FOFYPOFLCBTFDZ-UHFFFAOYSA-N 1 0 333.501 4.389 50 0 EIAARO CCc1nccc(C[NH2+]CC[C@@H](c2ccco2)c2ccc(F)cc2)n1 ZINC000952974780 1049686291 /nfs/dbraw/zinc/68/62/91/1049686291.db2.gz FQDAKNLRAKWZSG-GOSISDBHSA-N 1 0 339.414 4.083 50 0 EIAARO CCc1nccn1CCC(=O)N[C@H](c1cccs1)C1CCCCC1 ZINC000952988683 1049690903 /nfs/dbraw/zinc/69/09/03/1049690903.db2.gz OLKLAMOCHMQPTJ-IBGZPJMESA-N 1 0 345.512 4.335 50 0 EIAARO c1coc([C@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000952988301 1049691162 /nfs/dbraw/zinc/69/11/62/1049691162.db2.gz NFUJXTXNMJMCBG-LJQANCHMSA-N 1 0 349.430 4.363 50 0 EIAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCCCCC3)cc2)n1 ZINC000048156033 1051109069 /nfs/dbraw/zinc/10/90/69/1051109069.db2.gz YNPQSEWYLGBJDX-UHFFFAOYSA-N 1 0 339.483 4.156 50 0 EIAARO C[C@@H]([NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 ZINC000529539802 1055868381 /nfs/dbraw/zinc/86/83/81/1055868381.db2.gz UVULMLKXJCFEHM-RDTXWAMCSA-N 1 0 344.405 4.390 50 0 EIAARO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CCOCC2CC2)CCO3)o1 ZINC000581811622 1060013320 /nfs/dbraw/zinc/01/33/20/1060013320.db2.gz YSCAHDZHZWGJLR-GOSISDBHSA-N 1 0 347.499 4.166 50 0 EIAARO O=C(C1CC1)N1CCC([NH2+]Cc2sc3ccccc3c2Cl)CC1 ZINC000055979150 214351419 /nfs/dbraw/zinc/35/14/19/214351419.db2.gz RHMOOLBJHJPJBY-UHFFFAOYSA-N 1 0 348.899 4.045 50 0 EIAARO C[C@H](O)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008498017 201750148 /nfs/dbraw/zinc/75/01/48/201750148.db2.gz QBGLJPYOLXCQPS-LBPRGKRZSA-N 1 0 340.250 4.043 50 0 EIAARO COc1cccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012457899 201848400 /nfs/dbraw/zinc/84/84/00/201848400.db2.gz PTTVNFBUYDNYSE-AWEZNQCLSA-N 1 0 339.414 4.179 50 0 EIAARO C[C@H](NC(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012782211 201867093 /nfs/dbraw/zinc/86/70/93/201867093.db2.gz UZPHSYXSBWNNFX-KXBFYZLASA-N 1 0 341.430 4.173 50 0 EIAARO Brc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019376166 202007018 /nfs/dbraw/zinc/00/70/18/202007018.db2.gz HPHJFDGJKPJDGN-INIZCTEOSA-N 1 0 327.225 4.166 50 0 biogenic EIAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3)o2)cc1OC ZINC000019872436 202023877 /nfs/dbraw/zinc/02/38/77/202023877.db2.gz RCQRSMQKEXWOBN-UHFFFAOYSA-N 1 0 337.419 4.296 50 0 EIAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H](O)c1ccccc1 ZINC000019871859 202024367 /nfs/dbraw/zinc/02/43/67/202024367.db2.gz PYOXLNRAYGCQDI-FDDCHVKYSA-N 1 0 347.458 4.477 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(O)c(Cl)c1)[NH2+]CC2 ZINC000019848413 202024376 /nfs/dbraw/zinc/02/43/76/202024376.db2.gz KUYQOVPHRFCDKM-IBGZPJMESA-N 1 0 347.842 4.078 50 0 EIAARO FC(F)(F)c1ccccc1CN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019889619 202025067 /nfs/dbraw/zinc/02/50/67/202025067.db2.gz UXRSFDGDSYIQEX-INIZCTEOSA-N 1 0 338.417 4.179 50 0 EIAARO CC1=C(C)[C@@H]([NH2+]CCC(C)C)N([C@H](C)CCc2ccccc2)C1=O ZINC000020058020 202030320 /nfs/dbraw/zinc/03/03/20/202030320.db2.gz MZTCODXPKOUUBM-UZLBHIALSA-N 1 0 328.500 4.148 50 0 EIAARO Clc1ccc(-c2nc3ccccn3c2C[NH+]2CCSCC2)cc1 ZINC000020366174 202038947 /nfs/dbraw/zinc/03/89/47/202038947.db2.gz STESNBNKMJEHDD-UHFFFAOYSA-N 1 0 343.883 4.204 50 0 EIAARO CC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868939 202056360 /nfs/dbraw/zinc/05/63/60/202056360.db2.gz NOMXEOYYSQBBDO-NHCUHLMSSA-N 1 0 327.443 4.303 50 0 EIAARO CCCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(C)=O)ccc21 ZINC000020594948 202050181 /nfs/dbraw/zinc/05/01/81/202050181.db2.gz UBGPENUQMDVMKG-UHFFFAOYSA-N 1 0 342.487 4.171 50 0 EIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000021720061 202069376 /nfs/dbraw/zinc/06/93/76/202069376.db2.gz SZWMOMHVDRCMDH-GOSISDBHSA-N 1 0 336.439 4.327 50 0 EIAARO CC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169870 202062749 /nfs/dbraw/zinc/06/27/49/202062749.db2.gz KBWPUNYOKQYGDV-YADHBBJMSA-N 1 0 339.479 4.172 50 0 EIAARO COc1cc(C[NH2+][C@@H](C)CC(C)(C)c2ccc(C)o2)cc(OC)c1 ZINC000022077587 202079044 /nfs/dbraw/zinc/07/90/44/202079044.db2.gz NDDGNRPPHSAHAL-AWEZNQCLSA-N 1 0 331.456 4.451 50 0 EIAARO FC(F)(F)c1ccccc1[C@H](c1ccccc1)N1CCC[NH2+]CC1 ZINC000022106223 202080310 /nfs/dbraw/zinc/08/03/10/202080310.db2.gz BVUVQBAYRZKXCJ-SFHVURJKSA-N 1 0 334.385 4.090 50 0 EIAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccccc1C(F)(F)F ZINC000022455822 202085142 /nfs/dbraw/zinc/08/51/42/202085142.db2.gz VNVRWPBTEDNFOT-UHFFFAOYSA-N 1 0 336.401 4.269 50 0 EIAARO CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1OC ZINC000021720270 202069453 /nfs/dbraw/zinc/06/94/53/202069453.db2.gz HFWPMSUGQDTQKD-KRWDZBQOSA-N 1 0 344.455 4.426 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)Nc3ccccc3F)CC2)C1 ZINC000021718267 202069585 /nfs/dbraw/zinc/06/95/85/202069585.db2.gz PTZAXJNQYRJYTE-HZPDHXFCSA-N 1 0 347.478 4.048 50 0 EIAARO C[C@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000021948292 202074467 /nfs/dbraw/zinc/07/44/67/202074467.db2.gz VYUQPZHRDKLOPX-FQEVSTJZSA-N 1 0 342.486 4.272 50 0 EIAARO C[C@@H]1CCc2sc(C(=O)Nc3ccccc3C[NH+](C)C)cc2C1 ZINC000024812745 202122152 /nfs/dbraw/zinc/12/21/52/202122152.db2.gz CJWKOGGZWLRRRF-CYBMUJFWSA-N 1 0 328.481 4.187 50 0 EIAARO Clc1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c2c(c1)COCO2 ZINC000025358650 202129594 /nfs/dbraw/zinc/12/95/94/202129594.db2.gz GEMZUJJIJKLUJQ-IBGZPJMESA-N 1 0 343.854 4.414 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c2c1cccc2Cl ZINC000028296758 202169647 /nfs/dbraw/zinc/16/96/47/202169647.db2.gz ZBMWXQGMDJSFMW-URKNILKWSA-N 1 0 348.918 4.441 50 0 EIAARO Cc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028290457 202168843 /nfs/dbraw/zinc/16/88/43/202168843.db2.gz YLAYXUNYKPEJNO-HXUWFJFHSA-N 1 0 338.495 4.325 50 0 EIAARO C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000032891641 202239744 /nfs/dbraw/zinc/23/97/44/202239744.db2.gz RNOFQRQPPNFYDG-OAHLLOKOSA-N 1 0 349.434 4.383 50 0 EIAARO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000032934682 202243513 /nfs/dbraw/zinc/24/35/13/202243513.db2.gz RBVXJILMPRYVMM-LBPRGKRZSA-N 1 0 332.275 4.091 50 0 EIAARO CC[N@H+](Cc1ccc(C)cc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018716 202247408 /nfs/dbraw/zinc/24/74/08/202247408.db2.gz VVZHCVKRNXULQN-UHFFFAOYSA-N 1 0 337.419 4.132 50 0 EIAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccccc1C ZINC000036031623 202313257 /nfs/dbraw/zinc/31/32/57/202313257.db2.gz MOWCCCVBRGQBCM-OAQYLSRUSA-N 1 0 341.495 4.264 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1C ZINC000036101837 202316730 /nfs/dbraw/zinc/31/67/30/202316730.db2.gz WCNOVDSGSGRTIE-CTNGQTDRSA-N 1 0 341.495 4.344 50 0 EIAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000072478634 216256969 /nfs/dbraw/zinc/25/69/69/216256969.db2.gz KESSECKHIYOSHN-QGZVFWFLSA-N 1 0 338.451 4.035 50 0 EIAARO C[NH+](C)[C@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000072478635 216257462 /nfs/dbraw/zinc/25/74/62/216257462.db2.gz KESSECKHIYOSHN-KRWDZBQOSA-N 1 0 338.451 4.035 50 0 EIAARO Brc1cc(Cc2ccccc2)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042774407 202502145 /nfs/dbraw/zinc/50/21/45/202502145.db2.gz YPRPXSCGOHXNMX-INIZCTEOSA-N 1 0 346.268 4.171 50 0 EIAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](CCCO)C2)cc1 ZINC000216260517 241178328 /nfs/dbraw/zinc/17/83/28/241178328.db2.gz CHXLIGNDBDMSME-LJQANCHMSA-N 1 0 338.495 4.439 50 0 EIAARO COc1cc(Cl)cc(C[NH+]2CCC(c3ccncc3)CC2)c1OC ZINC000216549747 241201406 /nfs/dbraw/zinc/20/14/06/241201406.db2.gz PNVLUQPNDDHGHL-UHFFFAOYSA-N 1 0 346.858 4.132 50 0 EIAARO Cc1ccccc1NC(=S)N(C(C)C)C1CC[NH+](C(C)C)CC1 ZINC000000261484 201454942 /nfs/dbraw/zinc/45/49/42/201454942.db2.gz RXLBOIKEVLHISI-UHFFFAOYSA-N 1 0 333.545 4.275 50 0 EIAARO Cc1cc2[nH]c(C(=O)Nc3cc(F)cc(F)c3)c(C[NH+](C)C)c2s1 ZINC000075487867 216623574 /nfs/dbraw/zinc/62/35/74/216623574.db2.gz VMTBCYCTQPXQBV-UHFFFAOYSA-N 1 0 349.406 4.130 50 0 EIAARO O[C@@H]1CCC[C@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000230208378 242249757 /nfs/dbraw/zinc/24/97/57/242249757.db2.gz RTUWWBKEHHZFEW-VUCTXSBTSA-N 1 0 338.289 4.041 50 0 EIAARO CC(C)[C@@]1(CC[NH2+]Cc2ccc3c(c2)OCO3)CCOC(C)(C)C1 ZINC000002103305 201524993 /nfs/dbraw/zinc/52/49/93/201524993.db2.gz DMFDYEIPMKZHSB-FQEVSTJZSA-N 1 0 333.472 4.126 50 0 biogenic EIAARO CC12CN(Cc3ccccc3)CC(C)(C[NH+](Cc3ccccc3)C1)C2 ZINC000004610636 201606933 /nfs/dbraw/zinc/60/69/33/201606933.db2.gz GABOEKFWENWMRP-UHFFFAOYSA-N 1 0 334.507 4.421 50 0 EIAARO CC(C)C[NH+]1CCC(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000064809140 202818041 /nfs/dbraw/zinc/81/80/41/202818041.db2.gz UIFZBEHKFSZWDF-NRFANRHFSA-N 1 0 340.511 4.033 50 0 EIAARO Clc1c(C[NH+]2CCCC2)cccc1Oc1ccc2c(c1)OCCO2 ZINC000067804997 202936550 /nfs/dbraw/zinc/93/65/50/202936550.db2.gz KZTABEJTXUDBNI-UHFFFAOYSA-N 1 0 345.826 4.499 50 0 EIAARO CC[C@H](CO)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248137774 243535570 /nfs/dbraw/zinc/53/55/70/243535570.db2.gz ASSNFERNVCEFFB-GOSISDBHSA-N 1 0 342.870 4.204 50 0 EIAARO COc1ccc([C@H](C)C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 ZINC000069519694 203013407 /nfs/dbraw/zinc/01/34/07/203013407.db2.gz OLUXGWOVUPPDLS-INIZCTEOSA-N 1 0 338.451 4.033 50 0 EIAARO COc1cccc(Oc2ccc(CNC(=[NH2+])Nc3ccccc3)cn2)c1 ZINC000069812102 203052732 /nfs/dbraw/zinc/05/27/32/203052732.db2.gz FLHRPVANRTZCBV-UHFFFAOYSA-N 1 0 348.406 4.019 50 0 EIAARO C[C@@H]([NH2+]CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000069699923 203038722 /nfs/dbraw/zinc/03/87/22/203038722.db2.gz DLTFKNQJOLAFNQ-GOSISDBHSA-N 1 0 344.458 4.243 50 0 EIAARO CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000069878315 203060220 /nfs/dbraw/zinc/06/02/20/203060220.db2.gz JFCCOTOHFRXGDV-QGZVFWFLSA-N 1 0 340.492 4.227 50 0 EIAARO Cc1cc(SC(C)(C)C)ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000071854039 203129545 /nfs/dbraw/zinc/12/95/45/203129545.db2.gz BVRZJUCVGVIQGQ-UHFFFAOYSA-N 1 0 335.517 4.101 50 0 EIAARO CCC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000071794743 203114274 /nfs/dbraw/zinc/11/42/74/203114274.db2.gz DAALYVVBYUATEC-LLVKDONJSA-N 1 0 336.357 4.303 50 0 EIAARO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000071841176 203125293 /nfs/dbraw/zinc/12/52/93/203125293.db2.gz BQAPKQILMDHOEJ-GHTZIAJQSA-N 1 0 340.511 4.225 50 0 EIAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2c(Cl)ccc(C)c2F)C1 ZINC000072130955 203166856 /nfs/dbraw/zinc/16/68/56/203166856.db2.gz JYQRFUBFLDZYNL-HNNXBMFYSA-N 1 0 335.854 4.205 50 0 EIAARO CC(C)c1nccc(C[N@@H+]2CCC[C@H](COc3ccc(F)cc3)C2)n1 ZINC000072141924 203168521 /nfs/dbraw/zinc/16/85/21/203168521.db2.gz OQIAMWKSUQVCSU-INIZCTEOSA-N 1 0 343.446 4.030 50 0 EIAARO Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000072149770 203172737 /nfs/dbraw/zinc/17/27/37/203172737.db2.gz CHPLHPLBHHJHHV-HNNXBMFYSA-N 1 0 342.874 4.238 50 0 EIAARO Cc1c(Cl)ccc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000020167181 212108190 /nfs/dbraw/zinc/10/81/90/212108190.db2.gz PSYQTMZSCPLXOX-KBPBESRZSA-N 1 0 325.880 4.225 50 0 EIAARO CC(C)(C)c1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072480905 203232956 /nfs/dbraw/zinc/23/29/56/203232956.db2.gz OQKSVFPXSGQWMU-UHFFFAOYSA-N 1 0 329.875 4.097 50 0 EIAARO O=C1CC[C@]2(CCC[N@@H+](CCCCCF)C2)CN1Cc1ccccc1 ZINC000072412526 203218553 /nfs/dbraw/zinc/21/85/53/203218553.db2.gz DXLSJLKTZOAYKV-NRFANRHFSA-N 1 0 346.490 4.031 50 0 EIAARO Fc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1Br ZINC000020122516 212103756 /nfs/dbraw/zinc/10/37/56/212103756.db2.gz CLRYECXCYMTXTL-UHFFFAOYSA-N 1 0 347.231 4.402 50 0 EIAARO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000075572841 203318885 /nfs/dbraw/zinc/31/88/85/203318885.db2.gz IWVHQYOIIHFWEV-UHFFFAOYSA-N 1 0 332.488 4.299 50 0 EIAARO COc1ccc(OC)c([C@@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000077470066 203390234 /nfs/dbraw/zinc/39/02/34/203390234.db2.gz OWPHIHNDMDFHPT-QGZVFWFLSA-N 1 0 336.435 4.175 50 0 EIAARO c1cn(CC[C@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccn3)cc2)cn1 ZINC000077505989 203391904 /nfs/dbraw/zinc/39/19/04/203391904.db2.gz BIMFAIGQAXVNNU-OAQYLSRUSA-N 1 0 346.478 4.390 50 0 EIAARO Clc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000019536811 212039662 /nfs/dbraw/zinc/03/96/62/212039662.db2.gz IUNCEHMYVOKILY-UHFFFAOYSA-N 1 0 335.278 4.311 50 0 EIAARO C[C@@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)c1ccsc1 ZINC000095968801 203779027 /nfs/dbraw/zinc/77/90/27/203779027.db2.gz DWMLYWVSPXOKBK-UONOGXRCSA-N 1 0 330.453 4.159 50 0 EIAARO CC[N@H+](Cc1cc(Cl)cc(OC)c1OC)[C@@H]1CCOC(C)(C)C1 ZINC000102537569 204040858 /nfs/dbraw/zinc/04/08/58/204040858.db2.gz IBAICDOMYCLAAG-OAHLLOKOSA-N 1 0 341.879 4.137 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000006455197 205807061 /nfs/dbraw/zinc/80/70/61/205807061.db2.gz WCDKJXUJAFXWJF-OPYAIIAOSA-N 1 0 339.479 4.356 50 0 EIAARO CC[NH+](CC)C[C@H](O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000012421493 207144352 /nfs/dbraw/zinc/14/43/52/207144352.db2.gz BFGLXNCDLZFOBA-KRWDZBQOSA-N 1 0 335.532 4.363 50 0 EIAARO C[N@H+](Cc1ccncc1Cl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348807735 257930932 /nfs/dbraw/zinc/93/09/32/257930932.db2.gz JYPCLZQOMKZVJK-SJLPKXTDSA-N 1 0 334.822 4.226 50 0 EIAARO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1c1cccs1 ZINC000241590518 258000738 /nfs/dbraw/zinc/00/07/38/258000738.db2.gz PFMBKFVQLFWOEE-RDJZCZTQSA-N 1 0 334.529 4.312 50 0 EIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000299770878 258083740 /nfs/dbraw/zinc/08/37/40/258083740.db2.gz NRFTWJDRVXQOOK-LJQANCHMSA-N 1 0 342.870 4.011 50 0 EIAARO O=C(NCC[C@@H]1CCC[NH2+]1)Nc1cccc(-c2cccc(Cl)c2)c1 ZINC000299779801 258088800 /nfs/dbraw/zinc/08/88/00/258088800.db2.gz QKLWLURUHNELIG-KRWDZBQOSA-N 1 0 343.858 4.271 50 0 EIAARO Cc1cccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)n1 ZINC000299793033 258097840 /nfs/dbraw/zinc/09/78/40/258097840.db2.gz HZAQPGZQAWVOLV-UHOSZYNNSA-N 1 0 346.434 4.133 50 0 EIAARO COCc1ncc(CN(C)Cc2ccc(Oc3ccccc3)cc2)cn1 ZINC000072477784 258064628 /nfs/dbraw/zinc/06/46/28/258064628.db2.gz QXWGISYSDRDXKU-UHFFFAOYSA-N 1 0 349.434 4.047 50 0 EIAARO CC[N@H+](Cc1ccc([C@@H]2CCCCO2)s1)Cc1c(C)nn(C)c1C ZINC000215958224 258072385 /nfs/dbraw/zinc/07/23/85/258072385.db2.gz VKCHLEFHUKMDDL-SFHVURJKSA-N 1 0 347.528 4.362 50 0 EIAARO COc1cc(/C=C/C[N@H+]2Cc3cc(C)ccc3O[C@H](C)C2)ccc1O ZINC000299766055 258081036 /nfs/dbraw/zinc/08/10/36/258081036.db2.gz BGHCPERJPRUUQD-DWTRPJMMSA-N 1 0 339.435 4.006 50 0 EIAARO Oc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000057440571 132200834 /nfs/dbraw/zinc/20/08/34/132200834.db2.gz LEXCSUJMZXOHER-UHFFFAOYSA-N 1 0 344.458 4.381 50 0 EIAARO C[C@@H]([NH2+]CCSc1ccccc1F)c1ccc([S@](C)=O)cc1 ZINC000095422369 525456138 /nfs/dbraw/zinc/45/61/38/525456138.db2.gz FPUVJCGXPANCRG-MCMMXHMISA-N 1 0 337.485 4.006 50 0 EIAARO CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000215309416 535169255 /nfs/dbraw/zinc/16/92/55/535169255.db2.gz YKUIJNROPSCSOW-HXUWFJFHSA-N 1 0 340.442 4.095 50 0 EIAARO CC[NH+](CC)CCOc1ccc(C(=O)CCc2ccccc2)cc1 ZINC000000001292 563211346 /nfs/dbraw/zinc/21/13/46/563211346.db2.gz KMICWMXRUOETFR-UHFFFAOYSA-N 1 0 325.452 4.223 50 0 in-man EIAARO C[NH+](C)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000043964 563212926 /nfs/dbraw/zinc/21/29/26/563212926.db2.gz NNVUWMNSPHOFBR-CYBMUJFWSA-N 1 0 337.250 4.024 50 0 EIAARO Cc1csc2ncnc(NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000000116401 563232173 /nfs/dbraw/zinc/23/21/73/563232173.db2.gz GYQNXYQGNUDXME-UHFFFAOYSA-N 1 0 338.480 4.076 50 0 EIAARO CC1CC[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)CC1 ZINC000000171479 563251523 /nfs/dbraw/zinc/25/15/23/563251523.db2.gz ZHWQVVWSFHSSAO-UHFFFAOYSA-N 1 0 334.463 4.182 50 0 EIAARO CC[NH+](CC)C[C@@H](O)c1cc2cc(Br)ccc2s1 ZINC000000338776 563285994 /nfs/dbraw/zinc/28/59/94/563285994.db2.gz RQLHMDGRXVRMOL-GFCCVEGCSA-N 1 0 328.275 4.039 50 0 EIAARO c1ccc2c(c1)cccc2Sc1ccccc1CNC1=[NH+]CCN1 ZINC000000346645 563287750 /nfs/dbraw/zinc/28/77/50/563287750.db2.gz LHILIMCFIJCSHA-UHFFFAOYSA-N 1 0 333.460 4.040 50 0 EIAARO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000000355325 563290848 /nfs/dbraw/zinc/29/08/48/563290848.db2.gz UTEWSAVWLMYMLV-UHFFFAOYSA-N 1 0 334.463 4.054 50 0 EIAARO Clc1cc(Br)ccc1OCCCC[NH+]1CCCC1 ZINC000003003576 563469515 /nfs/dbraw/zinc/46/95/15/563469515.db2.gz NACRHXCTMVGVGI-UHFFFAOYSA-N 1 0 332.669 4.357 50 0 EIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004477737 563503236 /nfs/dbraw/zinc/50/32/36/563503236.db2.gz TWBHDJQJUKMJBU-LJQANCHMSA-N 1 0 340.511 4.103 50 0 EIAARO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1 ZINC000004700623 563508076 /nfs/dbraw/zinc/50/80/76/563508076.db2.gz FNTQSSOSKVXVBV-GOSISDBHSA-N 1 0 336.479 4.084 50 0 EIAARO CC[NH+](CC)C[C@@H](C)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004723157 563509256 /nfs/dbraw/zinc/50/92/56/563509256.db2.gz QRIJLHKJNFTDDV-QGZVFWFLSA-N 1 0 325.452 4.092 50 0 EIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004725496 563509266 /nfs/dbraw/zinc/50/92/66/563509266.db2.gz TWBHDJQJUKMJBU-IBGZPJMESA-N 1 0 340.511 4.103 50 0 EIAARO Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(C(C)(C)C)c1 ZINC000004834144 563512343 /nfs/dbraw/zinc/51/23/43/563512343.db2.gz ZYRFTJQXJSIMEL-GOSISDBHSA-N 1 0 333.516 4.297 50 0 EIAARO COc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c(C)c1C ZINC000004980972 563517026 /nfs/dbraw/zinc/51/70/26/563517026.db2.gz YJBOMCXKMYTYQP-UHFFFAOYSA-N 1 0 338.495 4.251 50 0 EIAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(F)cc1 ZINC000005019447 563518918 /nfs/dbraw/zinc/51/89/18/563518918.db2.gz OQWLIPMVWJIXPM-UHFFFAOYSA-N 1 0 341.382 4.296 50 0 EIAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)ccc1C(C)C ZINC000005073660 563520537 /nfs/dbraw/zinc/52/05/37/563520537.db2.gz FEHSPDGIMNPGSF-PKOBYXMFSA-N 1 0 327.468 4.209 50 0 EIAARO Cc1cc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)ccc1C(C)C ZINC000005073663 563520547 /nfs/dbraw/zinc/52/05/47/563520547.db2.gz FEHSPDGIMNPGSF-IEBWSBKVSA-N 1 0 327.468 4.209 50 0 EIAARO C[C@H]([NH2+]CCCCc1ccccc1)[C@H](O)c1ccc2c(c1)CCS2 ZINC000006021137 563557426 /nfs/dbraw/zinc/55/74/26/563557426.db2.gz FJLRGFADCXTJNV-KKSFZXQISA-N 1 0 341.520 4.369 50 0 in-man EIAARO C[C@H]1CCCC[N@@H+]1CCCCOc1ccccc1Br ZINC000006183678 563560590 /nfs/dbraw/zinc/56/05/90/563560590.db2.gz MXCILNRXBYPLIP-AWEZNQCLSA-N 1 0 326.278 4.483 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043174699 563596796 /nfs/dbraw/zinc/59/67/96/563596796.db2.gz SMVHZZFXXXZFAC-AWEZNQCLSA-N 1 0 337.876 4.134 50 0 EIAARO C[C@@H](O)C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008535089 563631883 /nfs/dbraw/zinc/63/18/83/563631883.db2.gz QBGLJPYOLXCQPS-GFCCVEGCSA-N 1 0 340.250 4.043 50 0 EIAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000009062791 563641470 /nfs/dbraw/zinc/64/14/70/563641470.db2.gz QRSYPRDGYKFHKM-UHFFFAOYSA-N 1 0 342.870 4.499 50 0 EIAARO Clc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccccc1 ZINC000010474483 563648109 /nfs/dbraw/zinc/64/81/09/563648109.db2.gz GNJQWXAOXNEYHM-KRWDZBQOSA-N 1 0 331.843 4.188 50 0 EIAARO CCc1ccc(C[N@@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)o1 ZINC000011699293 563650664 /nfs/dbraw/zinc/65/06/64/563650664.db2.gz PODUDJYNNQJWOA-JOCHJYFZSA-N 1 0 341.495 4.439 50 0 EIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2)N1Cc1cccc(Cl)c1 ZINC000011880755 563651806 /nfs/dbraw/zinc/65/18/06/563651806.db2.gz BQSQJIMGEAXCCF-LJQANCHMSA-N 1 0 342.870 4.011 50 0 EIAARO CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000012200480 563656094 /nfs/dbraw/zinc/65/60/94/563656094.db2.gz HZLYGAAAVCKYAP-CRAIPNDOSA-N 1 0 346.540 4.495 50 0 EIAARO Fc1ccc(Oc2ncccc2C[NH2+]C2CCSCC2)c(F)c1 ZINC000012307870 563657526 /nfs/dbraw/zinc/65/75/26/563657526.db2.gz WAFSSVQYKKHQDN-UHFFFAOYSA-N 1 0 336.407 4.137 50 0 EIAARO CC[NH+]1CCN(c2cc(-c3ccccc3)c3ccc(OC)cc3n2)CC1 ZINC000013076039 563687230 /nfs/dbraw/zinc/68/72/30/563687230.db2.gz LUCFZXRVGHAVAU-UHFFFAOYSA-N 1 0 347.462 4.052 50 0 EIAARO CCOc1cccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000014953487 563768096 /nfs/dbraw/zinc/76/80/96/563768096.db2.gz LKKNAWQEOZMPDB-MRXNPFEDSA-N 1 0 335.451 4.430 50 0 EIAARO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000014960930 563768694 /nfs/dbraw/zinc/76/86/94/563768694.db2.gz YLQPFTRIDWEZPM-HXUWFJFHSA-N 1 0 347.861 4.296 50 0 EIAARO CCOC(=O)c1oc2ccc(Cl)cc2c1CNc1cc[nH+]cc1 ZINC000015017730 563773377 /nfs/dbraw/zinc/77/33/77/563773377.db2.gz DZLNLORAKHXHMG-UHFFFAOYSA-N 1 0 330.771 4.270 50 0 EIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000004555588 563779103 /nfs/dbraw/zinc/77/91/03/563779103.db2.gz HSMCHHYUYAFXIB-OAHLLOKOSA-N 1 0 347.871 4.208 50 0 EIAARO C[C@H]([NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000015724363 563791102 /nfs/dbraw/zinc/79/11/02/563791102.db2.gz BBJFXYAQZMJWIG-LPHOPBHVSA-N 1 0 327.468 4.075 50 0 EIAARO O[C@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000019200327 563854653 /nfs/dbraw/zinc/85/46/53/563854653.db2.gz ZQZCSQMTZGBWFG-GOSISDBHSA-N 1 0 327.811 4.423 50 0 EIAARO CCc1cccc(CC)c1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000043340280 563864359 /nfs/dbraw/zinc/86/43/59/563864359.db2.gz NNMZIVCWJBOSGM-QGZVFWFLSA-N 1 0 345.512 4.297 50 0 EIAARO CC[C@H](C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774585 563924937 /nfs/dbraw/zinc/92/49/37/563924937.db2.gz LCKSSPAHIALMDM-QWHCGFSZSA-N 1 0 326.278 4.341 50 0 EIAARO CCC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042775247 563925017 /nfs/dbraw/zinc/92/50/17/563925017.db2.gz QYWVWLFQWAKBIJ-CYBMUJFWSA-N 1 0 326.278 4.268 50 0 EIAARO CC(=O)Oc1c(C)cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1C ZINC000055037023 563933314 /nfs/dbraw/zinc/93/33/14/563933314.db2.gz UXXXSRPVQPZZPV-GOSISDBHSA-N 1 0 342.439 4.171 50 0 EIAARO Cc1ccc(C[C@H](C)[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)s1 ZINC000095422776 563935250 /nfs/dbraw/zinc/93/52/50/563935250.db2.gz HJHLPGYMFNPAOV-AWEZNQCLSA-N 1 0 336.545 4.004 50 0 EIAARO Cc1cccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c1 ZINC000058068936 563937161 /nfs/dbraw/zinc/93/71/61/563937161.db2.gz SINQJDLFIJYDJX-UHFFFAOYSA-N 1 0 349.400 4.121 50 0 EIAARO O=C(Nc1ccccc1)c1cccc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000058357877 563943669 /nfs/dbraw/zinc/94/36/69/563943669.db2.gz DYPTVUYFCBBAAY-UHFFFAOYSA-N 1 0 342.442 4.497 50 0 EIAARO COc1c(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)c(C(C)C)nn1C ZINC000058392156 563944637 /nfs/dbraw/zinc/94/46/37/563944637.db2.gz VUFOXHIOKNKNRI-LJQANCHMSA-N 1 0 327.472 4.101 50 0 EIAARO Cc1cccc(Oc2cc(C[NH2+][C@@H](C)c3cnn(C)c3)ccn2)c1C ZINC000096478840 563955066 /nfs/dbraw/zinc/95/50/66/563955066.db2.gz DCVAYYUFCFCQGL-INIZCTEOSA-N 1 0 336.439 4.075 50 0 EIAARO CS[C@H](C)Cc1c(-c2ccccc2)ncn1CC[NH+]1CCCCC1 ZINC000065498032 563961587 /nfs/dbraw/zinc/96/15/87/563961587.db2.gz OGVFRNHBPHRUPV-QGZVFWFLSA-N 1 0 343.540 4.330 50 0 EIAARO Fc1cccc(-c2cc([C@@H]3CC[N@H+](Cc4ccncc4)C3)ccn2)c1 ZINC000065505929 563961731 /nfs/dbraw/zinc/96/17/31/563961731.db2.gz JSWDFXAJOMNXOW-LJQANCHMSA-N 1 0 333.410 4.272 50 0 EIAARO CCOc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+](CC)C3)n2)cc1OCC ZINC000067605348 563962380 /nfs/dbraw/zinc/96/23/80/563962380.db2.gz FDEDQBRMIFVPHQ-MRXNPFEDSA-N 1 0 343.471 4.073 50 0 EIAARO CCCn1cc(C2=CC[N@H+](CCc3c[nH]c4ccccc34)CC2)cn1 ZINC000067847821 563962852 /nfs/dbraw/zinc/96/28/52/563962852.db2.gz PRBHFDIICDZSII-UHFFFAOYSA-N 1 0 334.467 4.106 50 0 EIAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000067895823 563963040 /nfs/dbraw/zinc/96/30/40/563963040.db2.gz YNJXZYWRRQOUCE-IBGZPJMESA-N 1 0 335.451 4.123 50 0 EIAARO c1nc2c([nH]1)[C@H](c1cccc3cccnc31)[N@H+](CC1CCCC1)CC2 ZINC000067935478 563963085 /nfs/dbraw/zinc/96/30/85/563963085.db2.gz RWKKWATYYYVNHO-NRFANRHFSA-N 1 0 332.451 4.096 50 0 EIAARO NC(=O)c1ccc(C[N@H+](Cc2ccccc2Cl)C2CCCC2)cc1 ZINC000060562456 563965869 /nfs/dbraw/zinc/96/58/69/563965869.db2.gz TYQOGPAKHHDKOF-UHFFFAOYSA-N 1 0 342.870 4.384 50 0 EIAARO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000097032875 563966806 /nfs/dbraw/zinc/96/68/06/563966806.db2.gz AJERHQAKKGVZLF-HUUCEWRRSA-N 1 0 325.431 4.477 50 0 EIAARO Nc1[nH+]c2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1 ZINC000000005752 563967112 /nfs/dbraw/zinc/96/71/12/563967112.db2.gz GXQCVUZORDAARJ-UHFFFAOYSA-N 1 0 325.721 4.339 50 0 EIAARO C[NH+](C)[C@H]1CCCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000082167078 563972890 /nfs/dbraw/zinc/97/28/90/563972890.db2.gz YHBSCEFSNUJQPA-KRWDZBQOSA-N 1 0 338.451 4.035 50 0 EIAARO CCOc1ccc2[nH+]c(C)cc(Nc3cccc(C(=O)OC)c3)c2c1 ZINC000000071878 563974422 /nfs/dbraw/zinc/97/44/22/563974422.db2.gz REKHFOOSLOIDBT-UHFFFAOYSA-N 1 0 336.391 4.472 50 0 EIAARO CCC(CC)C[N@@H+]1CCC[C@@H](c2nccn2Cc2cscn2)C1 ZINC000095355024 563976706 /nfs/dbraw/zinc/97/67/06/563976706.db2.gz SWNPVJSGHHGCAU-MRXNPFEDSA-N 1 0 332.517 4.004 50 0 EIAARO Nc1cc(C(F)(F)F)ccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000096034763 563977922 /nfs/dbraw/zinc/97/79/22/563977922.db2.gz ZLFBBMRJIMRTLI-UHFFFAOYSA-N 1 0 349.400 4.364 50 0 EIAARO Cc1ccccc1NC(=S)N1CCC([N@@H+](C)CCC(C)C)CC1 ZINC000000261570 563989658 /nfs/dbraw/zinc/98/96/58/563989658.db2.gz NROXIMCJCZJVBN-UHFFFAOYSA-N 1 0 333.545 4.134 50 0 EIAARO CC(C)CCNC(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000000299659 563990424 /nfs/dbraw/zinc/99/04/24/563990424.db2.gz MEOSVLKLPXFROB-UHFFFAOYSA-N 1 0 330.516 4.184 50 0 EIAARO FC(F)CN1CCC([NH2+]Cc2cccc(-c3ccccc3)c2)CC1 ZINC000060953505 563992178 /nfs/dbraw/zinc/99/21/78/563992178.db2.gz RFHUNXLAJOALNH-UHFFFAOYSA-N 1 0 330.422 4.173 50 0 EIAARO Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]Cc1ccccc1 ZINC000061002707 563992296 /nfs/dbraw/zinc/99/22/96/563992296.db2.gz FFWYCORCENNOIE-UHFFFAOYSA-N 1 0 339.870 4.491 50 0 EIAARO Cc1nn(C)c(Cl)c1C[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000061017573 563992341 /nfs/dbraw/zinc/99/23/41/563992341.db2.gz MYPSSGWRJWJFEI-UHFFFAOYSA-N 1 0 335.854 4.123 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)cc1)c1ccccc1Cl ZINC000011915222 563995509 /nfs/dbraw/zinc/99/55/09/563995509.db2.gz WCGISJPXWBLSRD-LJQANCHMSA-N 1 0 344.886 4.461 50 0 EIAARO C[C@@H](c1ccc(C2CCCC2)cc1)N(C)C(=O)C[NH+]1CCCCC1 ZINC000033884237 563999892 /nfs/dbraw/zinc/99/98/92/563999892.db2.gz QDSLHMSMMBSBBA-KRWDZBQOSA-N 1 0 328.500 4.350 50 0 EIAARO [NH3+]CCN[C@@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000033886454 563999898 /nfs/dbraw/zinc/99/98/98/563999898.db2.gz JPEMIBOJOGQXFJ-QFIPXVFZSA-N 1 0 346.499 4.133 50 0 EIAARO C[N@@H+](CC/C=C1\c2ccccc2CSc2ccccc21)CCCO ZINC000002049822 564003674 /nfs/dbraw/zinc/00/36/74/564003674.db2.gz VLAPRQOFMVJAIG-YBFXNURJSA-N 1 0 339.504 4.428 50 0 EIAARO CC(/C=C/c1ccccc1)=C\C(=O)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000005638440 564006886 /nfs/dbraw/zinc/00/68/86/564006886.db2.gz LFSIDNBLRSULJS-JHQOVHHMSA-N 1 0 339.479 4.454 50 0 biogenic EIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc2ccccc21 ZINC000011004443 564017584 /nfs/dbraw/zinc/01/75/84/564017584.db2.gz MCEWVFXNSSEIIT-IBGZPJMESA-N 1 0 349.434 4.391 50 0 EIAARO CC[N@H+](C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000102395946 564019983 /nfs/dbraw/zinc/01/99/83/564019983.db2.gz UXWBZOSDJIYNIY-BEFAXECRSA-N 1 0 339.907 4.433 50 0 EIAARO O[C@H](C[N@@H+]1CCC[C@@H]1CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000107335594 564026875 /nfs/dbraw/zinc/02/68/75/564026875.db2.gz YCFGZWFARNPSFM-YLJYHZDGSA-N 1 0 331.406 4.095 50 0 EIAARO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044877176 564027264 /nfs/dbraw/zinc/02/72/64/564027264.db2.gz QXRSMEXAGMHOIU-SFHVURJKSA-N 1 0 336.479 4.157 50 0 EIAARO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000045679955 564028604 /nfs/dbraw/zinc/02/86/04/564028604.db2.gz RQAROPBHBJPITN-JOCHJYFZSA-N 1 0 348.490 4.432 50 0 EIAARO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000048274523 564030580 /nfs/dbraw/zinc/03/05/80/564030580.db2.gz MAKCTTXFVIULRW-LJQANCHMSA-N 1 0 344.474 4.044 50 0 EIAARO O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000048343452 564031257 /nfs/dbraw/zinc/03/12/57/564031257.db2.gz BZNGDXZXBNJRSF-OAHLLOKOSA-N 1 0 346.833 4.330 50 0 EIAARO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc3ccccc3c2)cn1 ZINC000048782353 564032184 /nfs/dbraw/zinc/03/21/84/564032184.db2.gz ZHHNSZYONHQTOS-UHFFFAOYSA-N 1 0 328.419 4.019 50 0 EIAARO Cc1cccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c1 ZINC000058160821 564035431 /nfs/dbraw/zinc/03/54/31/564035431.db2.gz RHSCHAGDAHBHAP-UHFFFAOYSA-N 1 0 330.431 4.313 50 0 EIAARO c1ccc(CN2CCC([NH2+]Cc3ccccc3N3CCCC3)CC2)cc1 ZINC000058165463 564035582 /nfs/dbraw/zinc/03/55/82/564035582.db2.gz AIGZPVSOPWVZAN-UHFFFAOYSA-N 1 0 349.522 4.041 50 0 EIAARO COc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1Br ZINC000025357169 564037189 /nfs/dbraw/zinc/03/71/89/564037189.db2.gz IGYOFPABDNLUSZ-OAHLLOKOSA-N 1 0 348.240 4.071 50 0 EIAARO COc1ccc(C[N@H+](C)[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000040007497 564044258 /nfs/dbraw/zinc/04/42/58/564044258.db2.gz DMJJXCZPWRZWFS-ZDUSSCGKSA-N 1 0 333.403 4.045 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCCC2)c2c1cccc2Cl ZINC000012421931 564051241 /nfs/dbraw/zinc/05/12/41/564051241.db2.gz PXXYMIAEVQQRMR-MRXNPFEDSA-N 1 0 334.891 4.195 50 0 EIAARO Cc1cccc(Cn2nc(C[NH2+]CC(C)C)c(-c3ccccc3)n2)c1 ZINC000247904949 564052813 /nfs/dbraw/zinc/05/28/13/564052813.db2.gz JQJIYCDRBXNZQB-UHFFFAOYSA-N 1 0 334.467 4.047 50 0 EIAARO c1ccc(Cn2nc(C[NH2+]C3CCCCC3)c(-c3ccccc3)n2)cc1 ZINC000248121642 564052965 /nfs/dbraw/zinc/05/29/65/564052965.db2.gz SECWJERGVWEQIY-UHFFFAOYSA-N 1 0 346.478 4.416 50 0 EIAARO CCCC[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248124434 564052992 /nfs/dbraw/zinc/05/29/92/564052992.db2.gz WMYJUXYJJFJGTP-UHFFFAOYSA-N 1 0 334.467 4.192 50 0 EIAARO c1c(C[NH2+]Cc2cccnc2)c2ccccc2n1Cc1ccccc1 ZINC000248153445 564053052 /nfs/dbraw/zinc/05/30/52/564053052.db2.gz YLGCMAYYQRAEDB-UHFFFAOYSA-N 1 0 327.431 4.374 50 0 EIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc2ccccc2o1 ZINC000005446976 564062500 /nfs/dbraw/zinc/06/25/00/564062500.db2.gz NTQOHBOQTGDRHH-MJGOQNOKSA-N 1 0 346.430 4.189 50 0 EIAARO Clc1ccc(CSc2nnc([C@H]3CCC[NH2+]3)o2)cc1Cl ZINC000001298648 564063064 /nfs/dbraw/zinc/06/30/64/564063064.db2.gz FOZKVQYIRKDVEM-LLVKDONJSA-N 1 0 330.240 4.093 50 0 EIAARO FC(F)(F)c1cnc(N2CC=C([NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000001401399 564064997 /nfs/dbraw/zinc/06/49/97/564064997.db2.gz PONFAOXLUYDTKT-UHFFFAOYSA-N 1 0 345.796 4.334 50 0 EIAARO Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)c2cc1C ZINC000084128968 564066833 /nfs/dbraw/zinc/06/68/33/564066833.db2.gz AQZOIWPKADJPLD-GOSISDBHSA-N 1 0 333.431 4.399 50 0 EIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3cc(C)cc(C)c3)CC2)c1 ZINC000015861050 564076963 /nfs/dbraw/zinc/07/69/63/564076963.db2.gz QIKCRNHCKKABJR-UHFFFAOYSA-N 1 0 334.463 4.383 50 0 EIAARO OC1(c2ccc(Cl)cc2)CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000075286244 564081572 /nfs/dbraw/zinc/08/15/72/564081572.db2.gz QRLXSQFODLGQBE-UHFFFAOYSA-N 1 0 333.834 4.005 50 0 EIAARO C[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cnc2ccsc2c1 ZINC000090541220 564084643 /nfs/dbraw/zinc/08/46/43/564084643.db2.gz JYHJNCFERKXGDJ-RVSPLBMKSA-N 1 0 334.510 4.002 50 0 EIAARO CCc1ccc([C@@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)o1 ZINC000090667706 564085834 /nfs/dbraw/zinc/08/58/34/564085834.db2.gz HFUDNXZUWOLPKJ-HZPDHXFCSA-N 1 0 327.472 4.113 50 0 EIAARO OC[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1 ZINC000092764554 564089117 /nfs/dbraw/zinc/08/91/17/564089117.db2.gz QVYIOGJUYQKFGZ-NSHDSACASA-N 1 0 326.223 4.068 50 0 EIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192039136 564089983 /nfs/dbraw/zinc/08/99/83/564089983.db2.gz XVJJJZCOPNLOHE-LRQRDZAKSA-N 1 0 325.452 4.081 50 0 EIAARO Cc1sc2nc(C)nc(NC[C@H](c3ccccc3)[NH+](C)C)c2c1C ZINC000006598425 564092662 /nfs/dbraw/zinc/09/26/62/564092662.db2.gz UYCURXFNUKLQAE-MRXNPFEDSA-N 1 0 340.496 4.331 50 0 EIAARO Cc1c(O)ccc2c(C[N@H+](C)Cc3ccc(Cl)cc3)cc(=O)oc12 ZINC000089537084 564092758 /nfs/dbraw/zinc/09/27/58/564092758.db2.gz BFNGQARTKHMTHO-UHFFFAOYSA-N 1 0 343.810 4.092 50 0 EIAARO Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCC[C@@H]([NH3+])CC2)cc1 ZINC000426387184 564093560 /nfs/dbraw/zinc/09/35/60/564093560.db2.gz ZKISVKIYIUQBRJ-GOSISDBHSA-N 1 0 342.870 4.269 50 0 EIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2C)s1 ZINC000036100961 564096095 /nfs/dbraw/zinc/09/60/95/564096095.db2.gz RKDBLTLAUUYWFF-SFHVURJKSA-N 1 0 347.524 4.263 50 0 EIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)Cc2ccccc2)c1 ZINC000036100727 564096113 /nfs/dbraw/zinc/09/61/13/564096113.db2.gz BIOYMHAMZGLMAX-JOCHJYFZSA-N 1 0 325.496 4.447 50 0 EIAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000036395153 564100654 /nfs/dbraw/zinc/10/06/54/564100654.db2.gz AFTCZMDVYJXYRJ-BBRMVZONSA-N 1 0 348.899 4.243 50 0 EIAARO Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000065243376 564103322 /nfs/dbraw/zinc/10/33/22/564103322.db2.gz QLDQOIFVTFEQDP-UHFFFAOYSA-N 1 0 329.875 4.455 50 0 EIAARO C[C@@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000065623563 564108528 /nfs/dbraw/zinc/10/85/28/564108528.db2.gz AHHMBQNPABXZPR-HNNXBMFYSA-N 1 0 348.446 4.324 50 0 EIAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+]2CCCC[C@H]2C)o1 ZINC000007525111 564109848 /nfs/dbraw/zinc/10/98/48/564109848.db2.gz JPBKLXZSHIGGHI-CYBMUJFWSA-N 1 0 338.411 4.074 50 0 EIAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000170615551 564109987 /nfs/dbraw/zinc/10/99/87/564109987.db2.gz UOLMUDGBXQRYMQ-BDAKNGLRSA-N 1 0 327.222 4.101 50 0 EIAARO CCOc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000013325214 564111539 /nfs/dbraw/zinc/11/15/39/564111539.db2.gz SZURKOSIFWMHGW-UHFFFAOYSA-N 1 0 339.439 4.325 50 0 EIAARO c1coc(-c2n[nH]c(CC[NH2+][C@@H]3CCCC[C@H]3C3=CCCCC3)n2)c1 ZINC000089672844 564113022 /nfs/dbraw/zinc/11/30/22/564113022.db2.gz LKEVLVPXNHSYAR-DLBZAZTESA-N 1 0 340.471 4.256 50 0 EIAARO C[NH+](C)Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000089694768 564113167 /nfs/dbraw/zinc/11/31/67/564113167.db2.gz CRYMFKFVQDLRAJ-UHFFFAOYSA-N 1 0 326.440 4.004 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc2ccccc2c1 ZINC000076056575 564115031 /nfs/dbraw/zinc/11/50/31/564115031.db2.gz TVQGSTZAPQIFKA-VWKPWSFCSA-N 1 0 336.479 4.137 50 0 EIAARO CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCCCc3ccccc32)CC1 ZINC000076093769 564115704 /nfs/dbraw/zinc/11/57/04/564115704.db2.gz DCUDBIBOKZFOPO-IBGZPJMESA-N 1 0 344.499 4.443 50 0 EIAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@@H](CC)C1 ZINC000089949174 564115822 /nfs/dbraw/zinc/11/58/22/564115822.db2.gz OPTASWMFBKSHDM-WMLDXEAASA-N 1 0 330.497 4.028 50 0 EIAARO Cc1c(Cl)cccc1NC(=S)NCC1([NH+](C)C)CCCCC1 ZINC000007662523 564121727 /nfs/dbraw/zinc/12/17/27/564121727.db2.gz MHLHWUWQMDQPRU-UHFFFAOYSA-N 1 0 339.936 4.199 50 0 EIAARO O=C(c1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1)N1CCCCC1 ZINC000253420165 564131005 /nfs/dbraw/zinc/13/10/05/564131005.db2.gz VTVAZPTVTCHLQO-NRFANRHFSA-N 1 0 349.478 4.045 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056528484 564132901 /nfs/dbraw/zinc/13/29/01/564132901.db2.gz WQEJRYFAHPBPTO-UHFFFAOYSA-N 1 0 329.488 4.115 50 0 EIAARO Cc1cccnc1C[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000093192686 564137285 /nfs/dbraw/zinc/13/72/85/564137285.db2.gz QWCPQYNJEPJLEN-UHFFFAOYSA-N 1 0 331.257 4.322 50 0 EIAARO Cc1nnc([C@@H](C)[NH2+]CC2(Sc3ccc(C)cc3)CCCC2)o1 ZINC000080298448 564139200 /nfs/dbraw/zinc/13/92/00/564139200.db2.gz HVONBGXIEKAPOO-CQSZACIVSA-N 1 0 331.485 4.442 50 0 EIAARO O=C(CC[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCCCC1 ZINC000095349850 564139226 /nfs/dbraw/zinc/13/92/26/564139226.db2.gz TXBDSNOKOVACMM-JOCHJYFZSA-N 1 0 348.490 4.037 50 0 EIAARO CC(=O)Nc1ccc(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000095351115 564139267 /nfs/dbraw/zinc/13/92/67/564139267.db2.gz LQHAXQKJRFKEHW-SUMWQHHRSA-N 1 0 342.464 4.115 50 0 EIAARO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(C)s1 ZINC000095419432 564139780 /nfs/dbraw/zinc/13/97/80/564139780.db2.gz OOGUYISZOWZHQH-KGLIPLIRSA-N 1 0 326.469 4.357 50 0 EIAARO Cc1nc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)sc1C ZINC000095418628 564139814 /nfs/dbraw/zinc/13/98/14/564139814.db2.gz YMFYYHXYBALYTE-UHFFFAOYSA-N 1 0 336.888 4.209 50 0 EIAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)s1 ZINC000095420117 564139842 /nfs/dbraw/zinc/13/98/42/564139842.db2.gz ZQMPGYXTIQYOMX-OAHLLOKOSA-N 1 0 342.508 4.284 50 0 EIAARO COC(=O)Nc1ccc(C[NH2+][C@H](CC(C)C)c2ccccn2)cc1 ZINC000095420435 564139933 /nfs/dbraw/zinc/13/99/33/564139933.db2.gz QKIFAWFYLPPEEI-GOSISDBHSA-N 1 0 327.428 4.137 50 0 EIAARO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 ZINC000095422716 564140136 /nfs/dbraw/zinc/14/01/36/564140136.db2.gz HAKFTDFJQANIPA-HNAYVOBHSA-N 1 0 339.439 4.086 50 0 EIAARO COc1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc(C)s2)cc1NC(C)=O ZINC000095422777 564140145 /nfs/dbraw/zinc/14/01/45/564140145.db2.gz BJBPOYBBUPDQGU-OCCSQVGLSA-N 1 0 346.496 4.305 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2OCC2CC2)c1 ZINC000095422963 564140179 /nfs/dbraw/zinc/14/01/79/564140179.db2.gz ZQAHOVCCPMXRTF-HNNXBMFYSA-N 1 0 338.451 4.285 50 0 EIAARO C[N@H+](C1CCCC1)C(C)(C)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000095453207 564140630 /nfs/dbraw/zinc/14/06/30/564140630.db2.gz HQACJQRZQXYAJQ-UHFFFAOYSA-N 1 0 341.455 4.297 50 0 EIAARO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000095459054 564140717 /nfs/dbraw/zinc/14/07/17/564140717.db2.gz KNTBNDQNQAETKB-GUYCJALGSA-N 1 0 348.512 4.315 50 0 EIAARO C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000095953915 564142462 /nfs/dbraw/zinc/14/24/62/564142462.db2.gz HBGRAGIMDFDLJN-MRXNPFEDSA-N 1 0 346.478 4.318 50 0 EIAARO C[C@H]([NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 ZINC000095958774 564142641 /nfs/dbraw/zinc/14/26/41/564142641.db2.gz JVVWCCXGHIASHJ-JXFKEZNVSA-N 1 0 332.451 4.055 50 0 EIAARO CS[C@H]1CCCC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000095967431 564143027 /nfs/dbraw/zinc/14/30/27/564143027.db2.gz MUNJNPOELPDDNT-ROUUACIJSA-N 1 0 337.504 4.138 50 0 EIAARO CSCc1cc(F)ccc1C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000095969166 564143337 /nfs/dbraw/zinc/14/33/37/564143337.db2.gz WHSFKTQWMMDWNX-CYBMUJFWSA-N 1 0 346.471 4.498 50 0 EIAARO Fc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000096013543 564144807 /nfs/dbraw/zinc/14/48/07/564144807.db2.gz IRSTYNNTMFFZIQ-NHCUHLMSSA-N 1 0 335.426 4.431 50 0 EIAARO C[C@H](C[NH+]1CCCCC1)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000096028125 564145038 /nfs/dbraw/zinc/14/50/38/564145038.db2.gz YJNFZIRUSJRKOH-NQIIRXRSSA-N 1 0 336.479 4.280 50 0 EIAARO Cc1ccc(C)c(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c1 ZINC000096404011 564147217 /nfs/dbraw/zinc/14/72/17/564147217.db2.gz MPRIHUJPYLGLCT-UHFFFAOYSA-N 1 0 337.467 4.062 50 0 EIAARO COc1ccc(NC(=O)[C@@H](c2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000057388445 564153863 /nfs/dbraw/zinc/15/38/63/564153863.db2.gz MXHVDWVNUDRCLT-GOSISDBHSA-N 1 0 344.842 4.124 50 0 EIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000003060038 564154843 /nfs/dbraw/zinc/15/48/43/564154843.db2.gz OYWFRNCYBOXLPP-MRXNPFEDSA-N 1 0 333.545 4.195 50 0 EIAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000057562965 564154971 /nfs/dbraw/zinc/15/49/71/564154971.db2.gz GHJAWHRYKCONAR-GOSISDBHSA-N 1 0 334.822 4.405 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000003304506 564157255 /nfs/dbraw/zinc/15/72/55/564157255.db2.gz YJNUSYXLPUIDNG-IRXDYDNUSA-N 1 0 338.451 4.395 50 0 EIAARO CSc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003328334 564157354 /nfs/dbraw/zinc/15/73/54/564157354.db2.gz DEHKMJUSBPDGQE-UHFFFAOYSA-N 1 0 346.540 4.327 50 0 EIAARO Cc1ccc(C[NH2+][C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003339035 564157479 /nfs/dbraw/zinc/15/74/79/564157479.db2.gz PMFRQAKGJWDBHX-ZDUSSCGKSA-N 1 0 336.357 4.131 50 0 EIAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@H+]1CCCC[C@H]1C ZINC000008714156 564166639 /nfs/dbraw/zinc/16/66/39/564166639.db2.gz QRMPNUKJYQKALC-LLVKDONJSA-N 1 0 349.272 4.386 50 0 EIAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000245237853 564168804 /nfs/dbraw/zinc/16/88/04/564168804.db2.gz ZKECQDSQCJMSJV-STQMWFEESA-N 1 0 341.282 4.444 50 0 EIAARO O=C(Nc1ccc(Cl)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000006877338 1032859341 /nfs/dbraw/zinc/85/93/41/1032859341.db2.gz RUZBYWDNSHFDOX-UHFFFAOYSA-N 1 0 349.906 4.460 50 0 aggregator EIAARO Cc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1Oc1cccnc1 ZINC000160634848 1022500863 /nfs/dbraw/zinc/50/08/63/1022500863.db2.gz FMOKZABZAXJOTR-KRWDZBQOSA-N 1 0 326.440 4.230 50 0 EIAARO Cn1cccc1C[N@@H+]1CC2(C[C@H]1COc1ccncc1)CCCCC2 ZINC000257193161 1022762061 /nfs/dbraw/zinc/76/20/61/1022762061.db2.gz XLFBWCLYDMXQTP-IBGZPJMESA-N 1 0 339.483 4.024 50 0 EIAARO Cn1cccc1C[N@@H+]1CC2(C[C@@H]1COc1ccncc1)CCCCC2 ZINC000257193162 1022762591 /nfs/dbraw/zinc/76/25/91/1022762591.db2.gz XLFBWCLYDMXQTP-LJQANCHMSA-N 1 0 339.483 4.024 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306691 1023250620 /nfs/dbraw/zinc/25/06/20/1023250620.db2.gz DOFYEZJDYIDPLT-MDASCCDHSA-N 1 0 337.492 4.430 50 0 EIAARO C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(F)c(F)c1 ZINC000211240279 1024070832 /nfs/dbraw/zinc/07/08/32/1024070832.db2.gz YTTXEOOTKXWBBQ-PSVOKBTDSA-N 1 0 337.435 4.157 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)cc1OC ZINC000005916630 1024886711 /nfs/dbraw/zinc/88/67/11/1024886711.db2.gz ZWRSVZJLCWESIR-UHFFFAOYSA-N 1 0 337.419 4.155 50 0 EIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccc(Br)cc1 ZINC000004985443 1025109232 /nfs/dbraw/zinc/10/92/32/1025109232.db2.gz VENRHWCVGMCFJY-CYBMUJFWSA-N 1 0 334.257 4.266 50 0 EIAARO CC[N@@H+]1CCC[C@H](c2nnc3cc(C)c4ccc(Cl)cc4n32)C1 ZINC000032537480 1040765923 /nfs/dbraw/zinc/76/59/23/1040765923.db2.gz RCMNRMPLGWKLLI-ZDUSSCGKSA-N 1 0 328.847 4.044 50 0 EIAARO CC[C@@H]([NH2+]CCc1nc(C(C)C)no1)c1cccc(Cl)c1F ZINC000161813147 1042144839 /nfs/dbraw/zinc/14/48/39/1042144839.db2.gz ZSIROKPEWWNJOM-CYBMUJFWSA-N 1 0 325.815 4.269 50 0 EIAARO CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCn1cccn1 ZINC000011767725 1043197277 /nfs/dbraw/zinc/19/72/77/1043197277.db2.gz KROZMULMDKWIFM-FQEVSTJZSA-N 1 0 336.483 4.400 50 0 EIAARO CC(C)(C)[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCCn1cccn1 ZINC000011767732 1043197490 /nfs/dbraw/zinc/19/74/90/1043197490.db2.gz KROZMULMDKWIFM-HXUWFJFHSA-N 1 0 336.483 4.400 50 0 EIAARO CCOc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1Cl ZINC000823383225 1044276623 /nfs/dbraw/zinc/27/66/23/1044276623.db2.gz LUMWRVVGJSZMGU-UHFFFAOYSA-N 1 0 345.870 4.222 50 0 EIAARO COCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000012194812 1044350488 /nfs/dbraw/zinc/35/04/88/1044350488.db2.gz SNQDHVFBXURDKR-UHFFFAOYSA-N 1 0 341.499 4.213 50 0 EIAARO Cc1cccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccc(O)c2)c1C ZINC000012596959 1044446154 /nfs/dbraw/zinc/44/61/54/1044446154.db2.gz FPXZRTYLVRLCBT-HXUWFJFHSA-N 1 0 347.462 4.362 50 0 EIAARO CCCCc1ncc(C[NH2+]CCCc2nc3cc(Cl)ccc3[nH]2)[nH]1 ZINC000952977184 1049686984 /nfs/dbraw/zinc/68/69/84/1049686984.db2.gz XFYMCOVZMFIEBZ-UHFFFAOYSA-N 1 0 345.878 4.004 50 0 EIAARO Cc1ccc(NC(=O)CC[NH2+]Cc2ccc(F)cc2Cl)c(C)c1 ZINC000952985021 1049689361 /nfs/dbraw/zinc/68/93/61/1049689361.db2.gz AFNNATHJXDZAAX-UHFFFAOYSA-N 1 0 334.822 4.214 50 0 EIAARO CC(C)c1csc(CNC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000952967826 1049689624 /nfs/dbraw/zinc/68/96/24/1049689624.db2.gz LTVLTUVSFHUHRV-UHFFFAOYSA-N 1 0 335.542 4.082 50 0 EIAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000581816982 1060024636 /nfs/dbraw/zinc/02/46/36/1060024636.db2.gz KSTMRCRXLMLIAO-UHFFFAOYSA-N 1 0 345.531 4.353 50 0 EIAARO c1cc([C@@H]2CCCO2)sc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000065468661 1060311584 /nfs/dbraw/zinc/31/15/84/1060311584.db2.gz YZXLUSRXQGDWGN-SFHVURJKSA-N 1 0 328.481 4.374 50 0 EIAARO Cc1ccc(C[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)s1 ZINC000055119479 214276315 /nfs/dbraw/zinc/27/63/15/214276315.db2.gz IWRZMCCKABAGTL-QGZVFWFLSA-N 1 0 336.464 4.076 50 0 EIAARO CCC[NH+]1CCC(NC(=O)c2cc(C)c(-c3ccccc3)s2)CC1 ZINC000013326419 201890972 /nfs/dbraw/zinc/89/09/72/201890972.db2.gz PPTRNPPKIIBROW-UHFFFAOYSA-N 1 0 342.508 4.328 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(CC)cc1)[NH2+]CC2 ZINC000002491924 209858170 /nfs/dbraw/zinc/85/81/70/209858170.db2.gz IKUQDTRLGIRQET-NRFANRHFSA-N 1 0 325.452 4.282 50 0 biogenic EIAARO O[C@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000019691196 202016451 /nfs/dbraw/zinc/01/64/51/202016451.db2.gz MMUSLFVNAYCBTD-JOCHJYFZSA-N 1 0 333.431 4.089 50 0 EIAARO O=C(NC1CCCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019770266 202019412 /nfs/dbraw/zinc/01/94/12/202019412.db2.gz SLLFNMDYHZYYNA-UHFFFAOYSA-N 1 0 348.490 4.307 50 0 EIAARO CCn1c2ccccc2c2cc(CN3CC[NH+](C(C)C)CC3)ccc21 ZINC000019889665 202025156 /nfs/dbraw/zinc/02/51/56/202025156.db2.gz GPFSRFLCYZOUGL-UHFFFAOYSA-N 1 0 335.495 4.340 50 0 EIAARO Cc1ccc(C[NH2+]C[C@@](O)(c2ccccc2)c2ccc(F)cc2)cc1 ZINC000020365940 202039781 /nfs/dbraw/zinc/03/97/81/202039781.db2.gz AXYNUDBMBNQRFC-JOCHJYFZSA-N 1 0 335.422 4.160 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000022687713 202089430 /nfs/dbraw/zinc/08/94/30/202089430.db2.gz DAVKHHDGGUJCDD-GFCCVEGCSA-N 1 0 343.279 4.088 50 0 EIAARO O=C(Nc1ccccc1N1CCCC1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023251723 202102014 /nfs/dbraw/zinc/10/20/14/202102014.db2.gz PNEWWBDQOIKFBO-HNNXBMFYSA-N 1 0 341.480 4.025 50 0 EIAARO COc1cc2cc[n+](Cc3ccc(Cl)cc3Cl)cc2cc1OC ZINC000023746815 202108437 /nfs/dbraw/zinc/10/84/37/202108437.db2.gz JNMZNSZPBGRWOD-UHFFFAOYSA-N 1 0 349.237 4.500 50 0 EIAARO CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000024081555 202112595 /nfs/dbraw/zinc/11/25/95/202112595.db2.gz RTFGFQVLYLJIJU-UHFFFAOYSA-N 1 0 331.419 4.454 50 0 EIAARO COc1ccccc1[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000026334716 202141837 /nfs/dbraw/zinc/14/18/37/202141837.db2.gz VSIBVZDRBWHSPF-CQSZACIVSA-N 1 0 346.858 4.370 50 0 EIAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2CC ZINC000026121203 202138627 /nfs/dbraw/zinc/13/86/27/202138627.db2.gz YTJRUOPMUUZZSS-UHFFFAOYSA-N 1 0 342.487 4.027 50 0 EIAARO CCc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)sc1C ZINC000028163736 202165892 /nfs/dbraw/zinc/16/58/92/202165892.db2.gz VFFJFXAJIMCYQW-UHFFFAOYSA-N 1 0 328.481 4.467 50 0 EIAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c(OC)c1OC ZINC000040088619 202167915 /nfs/dbraw/zinc/16/79/15/202167915.db2.gz FSFGVNBLSLRHKA-JKSUJKDBSA-N 1 0 335.488 4.407 50 0 EIAARO Fc1cc(F)cc(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)c1 ZINC000040088658 202168271 /nfs/dbraw/zinc/16/82/71/202168271.db2.gz VCDNHCIRQLRGFC-UHFFFAOYSA-N 1 0 333.769 4.298 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+]Cc2ccccc2)c2c1cccc2Cl ZINC000028296752 202168747 /nfs/dbraw/zinc/16/87/47/202168747.db2.gz UIGPWDODUHDVAJ-QGZVFWFLSA-N 1 0 342.870 4.062 50 0 EIAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000028291345 202169607 /nfs/dbraw/zinc/16/96/07/202169607.db2.gz DMTWTLDRJMRJPY-GOSISDBHSA-N 1 0 336.435 4.082 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000028746547 202176368 /nfs/dbraw/zinc/17/63/68/202176368.db2.gz TXAVSPOSPDJSCM-HNNXBMFYSA-N 1 0 342.870 4.427 50 0 EIAARO C[N@H+](CC(=O)Nc1cccc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000029482598 202188228 /nfs/dbraw/zinc/18/82/28/202188228.db2.gz MNKBVOOJNXDRPS-OAQYLSRUSA-N 1 0 330.431 4.398 50 0 EIAARO C[C@H](CCCC(C)(C)O)CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000032582125 202227206 /nfs/dbraw/zinc/22/72/06/202227206.db2.gz HVSLWNDFMZVPDM-MOPGFXCFSA-N 1 0 332.532 4.070 50 0 EIAARO Cc1c2cc(Cl)ccc2oc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000032738082 202231876 /nfs/dbraw/zinc/23/18/76/202231876.db2.gz UZGXTNDLLXVKKK-UHFFFAOYSA-N 1 0 336.863 4.243 50 0 EIAARO Cc1cc(C)cc(NC(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000033312152 202257550 /nfs/dbraw/zinc/25/75/50/202257550.db2.gz LHVVHHLECOCEEK-MRXNPFEDSA-N 1 0 343.515 4.279 50 0 EIAARO CC(C)C(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034682576 202275269 /nfs/dbraw/zinc/27/52/69/202275269.db2.gz OKOKPISKUUZAFO-UHFFFAOYSA-N 1 0 344.430 4.072 50 0 EIAARO COc1ccc(N(C(=O)CC(C)C)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034682785 202275701 /nfs/dbraw/zinc/27/57/01/202275701.db2.gz UCTFPGCGYRFGQE-UHFFFAOYSA-N 1 0 346.515 4.195 50 0 EIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2C)o1 ZINC000036031395 202313517 /nfs/dbraw/zinc/31/35/17/202313517.db2.gz NJJYBIXMWKZRIW-LJQANCHMSA-N 1 0 345.483 4.184 50 0 EIAARO O[C@H](Cc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103324 202315701 /nfs/dbraw/zinc/31/57/01/202315701.db2.gz ZWBUQOVISQFBCK-HXUWFJFHSA-N 1 0 337.488 4.354 50 0 EIAARO CC(C)[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036103389 202316459 /nfs/dbraw/zinc/31/64/59/202316459.db2.gz QEWOEKCUKOSIRA-OAHLLOKOSA-N 1 0 339.888 4.052 50 0 EIAARO CC(C)c1ccc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036847532 202333073 /nfs/dbraw/zinc/33/30/73/202333073.db2.gz NBZWKSXFOKSUSU-HOTGVXAUSA-N 1 0 333.545 4.359 50 0 EIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[NH+]2CCC(O)CC2)c1 ZINC000072478964 216259039 /nfs/dbraw/zinc/25/90/39/216259039.db2.gz XFDMGNNWQOBYJM-UHFFFAOYSA-N 1 0 346.474 4.475 50 0 EIAARO O=C(c1ccc(F)c2ccccc12)N1CCC([NH+]2CCCCC2)CC1 ZINC000241371306 201152545 /nfs/dbraw/zinc/15/25/45/201152545.db2.gz MMIYHKDVGBPDRR-UHFFFAOYSA-N 1 0 340.442 4.069 50 0 EIAARO CC(C)c1cc(Br)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770424 202501732 /nfs/dbraw/zinc/50/17/32/202501732.db2.gz QTMKXLCAEVNSRG-AWEZNQCLSA-N 1 0 326.278 4.484 50 0 EIAARO O=C1N(Cc2ccccc2)c2ccccc2[C@]12CC[NH2+]C21CCCCC1 ZINC000000519848 201357428 /nfs/dbraw/zinc/35/74/28/201357428.db2.gz YTVJAYXPZVRGQR-HSZRJFAPSA-N 1 0 346.474 4.167 50 0 biogenic EIAARO COc1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc(OC)c1 ZINC000005512307 201361126 /nfs/dbraw/zinc/36/11/26/201361126.db2.gz QKUCKBUUXZZVEW-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(-n2ccnc2)cc1 ZINC000023625028 212385899 /nfs/dbraw/zinc/38/58/99/212385899.db2.gz ZJKQOGCKAOYQDK-MRXNPFEDSA-N 1 0 328.419 4.271 50 0 EIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000022784025 212323142 /nfs/dbraw/zinc/32/31/42/212323142.db2.gz RPYCPFOIXXUWJP-GFCCVEGCSA-N 1 0 335.831 4.217 50 0 EIAARO CCc1ccc([C@H](CNC(=O)[C@@H](CC)c2ccccc2)[NH+](C)C)cc1 ZINC000022684818 212315951 /nfs/dbraw/zinc/31/59/51/212315951.db2.gz YQOMTSRWUYFXTA-SFTDATJTSA-N 1 0 338.495 4.162 50 0 EIAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000216111607 241165978 /nfs/dbraw/zinc/16/59/78/241165978.db2.gz KLLQXYDMVSOXJS-OAHLLOKOSA-N 1 0 340.858 4.001 50 0 EIAARO FC(F)(F)c1ccccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000000276866 201456187 /nfs/dbraw/zinc/45/61/87/201456187.db2.gz VDPWWRWQRXFKRO-UHFFFAOYSA-N 1 0 326.406 4.156 50 0 EIAARO CCC(C)(C)c1ccc(OCCCC[NH2+]C[C@H](C)O)c(Cl)c1 ZINC000002881596 201550539 /nfs/dbraw/zinc/55/05/39/201550539.db2.gz WMGBGKRBSCQQIQ-AWEZNQCLSA-N 1 0 327.896 4.157 50 0 EIAARO C[C@H](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000003455893 201572645 /nfs/dbraw/zinc/57/26/45/201572645.db2.gz NAOBXQQJEIURCD-IEBWSBKVSA-N 1 0 340.467 4.117 50 0 EIAARO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)c2ccncc2F)cc1 ZINC000240757071 242977988 /nfs/dbraw/zinc/97/79/88/242977988.db2.gz HWCXYQUEZXKCGI-KNBMTAEXSA-N 1 0 328.431 4.348 50 0 EIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc2c1CCCCC2 ZINC000005070436 201638384 /nfs/dbraw/zinc/63/83/84/201638384.db2.gz KTUAKUNBOQCCNA-INIZCTEOSA-N 1 0 348.556 4.401 50 0 EIAARO C[NH+](C)C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1Cl ZINC000005573659 201656419 /nfs/dbraw/zinc/65/64/19/201656419.db2.gz ZUSLYFXPBPWQOH-XHDPSFHLSA-N 1 0 330.255 4.271 50 0 EIAARO CCc1cccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)c1 ZINC000241897334 243004793 /nfs/dbraw/zinc/00/47/93/243004793.db2.gz TXSUTOALBIANHH-UHFFFAOYSA-N 1 0 337.467 4.035 50 0 EIAARO Cc1ccnn1CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)c(C)c1)C2 ZINC000244774228 243078120 /nfs/dbraw/zinc/07/81/20/243078120.db2.gz PPYWGPNEJKPMKA-REPLKXPHSA-N 1 0 327.447 4.050 50 0 EIAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000090728963 203010663 /nfs/dbraw/zinc/01/06/63/203010663.db2.gz MLUPXVFQTVBHNU-ZIAGYGMSSA-N 1 0 338.455 4.240 50 0 EIAARO CO[C@H](C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C)c1ccccc1 ZINC000070038633 203071974 /nfs/dbraw/zinc/07/19/74/203071974.db2.gz NSLQESVKPRZTRQ-OAQYLSRUSA-N 1 0 349.478 4.473 50 0 EIAARO C[NH+]1CCC(C(=O)Nc2ccc(CSc3ccccc3)cc2)CC1 ZINC000071384888 203093216 /nfs/dbraw/zinc/09/32/16/203093216.db2.gz VCNAMLCWDUWRKA-UHFFFAOYSA-N 1 0 340.492 4.259 50 0 EIAARO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCc1ccccc1 ZINC000071809755 203117401 /nfs/dbraw/zinc/11/74/01/203117401.db2.gz WUSXHGKGVMDAFT-UHFFFAOYSA-N 1 0 341.405 4.100 50 0 EIAARO CCc1nc(C)sc1C[N@@H+]1CCC[C@H](C(=O)Cc2ccccc2)C1 ZINC000072155008 203174809 /nfs/dbraw/zinc/17/48/09/203174809.db2.gz CUDOUXAKMOTBEG-KRWDZBQOSA-N 1 0 342.508 4.038 50 0 EIAARO C[NH+](C)CC[C@@H]1CCCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072159407 203175831 /nfs/dbraw/zinc/17/58/31/203175831.db2.gz ZRZQHJBXCHSSLF-AWEZNQCLSA-N 1 0 332.385 4.151 50 0 EIAARO Cc1cccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccnc(C(C)C)n4)C3)nc21 ZINC000072163012 203177011 /nfs/dbraw/zinc/17/70/11/203177011.db2.gz WWAAMZSFCMGJFL-INIZCTEOSA-N 1 0 349.482 4.164 50 0 EIAARO CCc1cc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000020166952 212108701 /nfs/dbraw/zinc/10/87/01/212108701.db2.gz KVLYPGAFXFBFOL-HUUCEWRRSA-N 1 0 325.880 4.171 50 0 EIAARO Cc1ccc(C)c(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000072446811 203226001 /nfs/dbraw/zinc/22/60/01/203226001.db2.gz OJEKIIRADBDBKS-UHFFFAOYSA-N 1 0 338.451 4.029 50 0 EIAARO Clc1ccccc1C1(c2ccnc(C3CCCC3)n2)CC[NH2+]CC1 ZINC000072407716 203216215 /nfs/dbraw/zinc/21/62/15/203216215.db2.gz KRVFAVZKYJIXLS-UHFFFAOYSA-N 1 0 341.886 4.457 50 0 EIAARO COC[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000072410913 203216939 /nfs/dbraw/zinc/21/69/39/203216939.db2.gz OFDGXSYSBPCOTD-CQSZACIVSA-N 1 0 334.847 4.162 50 0 EIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2ccsc2)cc1 ZINC000077298627 203378947 /nfs/dbraw/zinc/37/89/47/203378947.db2.gz JSRNQUXICODFQW-SFHVURJKSA-N 1 0 328.481 4.177 50 0 EIAARO Cc1c2ccccc2[nH]c1C[N@H+]1CCCC[C@H]1CCc1nccn1C ZINC000077322142 203379744 /nfs/dbraw/zinc/37/97/44/203379744.db2.gz JBDJHUWPHOPABY-KRWDZBQOSA-N 1 0 336.483 4.197 50 0 EIAARO FC(F)Oc1cccc(CN2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC000077341816 203381426 /nfs/dbraw/zinc/38/14/26/203381426.db2.gz QRDHPWGAYNEPGU-KRWDZBQOSA-N 1 0 338.442 4.128 50 0 EIAARO COc1ccc(C[N@H+](C)CCc2ccccc2)cc1Br ZINC000019635122 212052725 /nfs/dbraw/zinc/05/27/25/212052725.db2.gz OOIJDBUDYHZHNY-UHFFFAOYSA-N 1 0 334.257 4.132 50 0 EIAARO C[C@](O)(C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000095467443 203748397 /nfs/dbraw/zinc/74/83/97/203748397.db2.gz DTQBCYIHDQFTNM-SFTDATJTSA-N 1 0 343.417 4.398 50 0 EIAARO Cc1c(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)c(C)c2)C3)cnn1C ZINC000102735572 204047867 /nfs/dbraw/zinc/04/78/67/204047867.db2.gz ABBUJGWWVISJGR-GGPHIMKMSA-N 1 0 327.447 4.087 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000106075175 204185976 /nfs/dbraw/zinc/18/59/76/204185976.db2.gz GDZVJUURFDGLOS-CGTJXYLNSA-N 1 0 332.513 4.066 50 0 EIAARO Cc1nn(C(C)C)c(C)c1CN1CCC[N@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000107021551 204224139 /nfs/dbraw/zinc/22/41/39/204224139.db2.gz AYIHNVOHDOMBBE-OAQYLSRUSA-N 1 0 346.563 4.023 50 0 EIAARO O=C(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccccc1Cl ZINC000043971627 204292366 /nfs/dbraw/zinc/29/23/66/204292366.db2.gz UHLZXAGCLFEQPW-UHFFFAOYSA-N 1 0 348.899 4.044 50 0 EIAARO CC(C)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccnn2C(C)C)cc1 ZINC000048302392 204346265 /nfs/dbraw/zinc/34/62/65/204346265.db2.gz CEUYNLFRPRCZPL-MRXNPFEDSA-N 1 0 342.487 4.046 50 0 EIAARO c1ccc(CCN2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000003682043 206472586 /nfs/dbraw/zinc/47/25/86/206472586.db2.gz QXQRADNSWWQJGV-UHFFFAOYSA-N 1 0 338.539 4.108 50 0 EIAARO C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cccs1 ZINC000095420529 218361707 /nfs/dbraw/zinc/36/17/07/218361707.db2.gz QLOKXHINIFGVIY-AWEZNQCLSA-N 1 0 340.448 4.122 50 0 EIAARO Fc1ccc(CCOc2cccc(C[NH2+]Cc3ccncc3)c2)cc1 ZINC000299771519 258083969 /nfs/dbraw/zinc/08/39/69/258083969.db2.gz QCUCIEBMQITPQC-UHFFFAOYSA-N 1 0 336.410 4.132 50 0 EIAARO O=C(CSc1ccccc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012907805 258055827 /nfs/dbraw/zinc/05/58/27/258055827.db2.gz PVVYFURGCRNDAN-UHFFFAOYSA-N 1 0 346.540 4.084 50 0 EIAARO O[C@H](c1ccc2c(c1)C[NH2+]CCO2)C(c1ccccc1)c1ccccc1 ZINC000299762286 258078345 /nfs/dbraw/zinc/07/83/45/258078345.db2.gz SZVBOFQIFJXCQA-HSZRJFAPSA-N 1 0 345.442 4.034 50 0 EIAARO Cc1ccccc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055542999 132195709 /nfs/dbraw/zinc/19/57/09/132195709.db2.gz YGFVAHJFNCTNKU-UHFFFAOYSA-N 1 0 334.385 4.336 50 0 EIAARO CSc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000055543719 132195853 /nfs/dbraw/zinc/19/58/53/132195853.db2.gz LHQUBNUVCPNSBA-UHFFFAOYSA-N 1 0 326.509 4.348 50 0 EIAARO C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)Cc1ccco1 ZINC000028896092 522678050 /nfs/dbraw/zinc/67/80/50/522678050.db2.gz MOZJWNGBQVYALX-UHFFFAOYSA-N 1 0 348.446 4.007 50 0 EIAARO [NH3+]CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000069851 527168660 /nfs/dbraw/zinc/16/86/60/527168660.db2.gz QVEUKHRUDUMXID-UHFFFAOYSA-N 1 0 338.354 4.184 50 0 EIAARO [NH3+][C@H]1CC[C@@H](n2ccnc2-c2ccc3cccc(Cl)c3n2)CC1 ZINC000244701068 527414016 /nfs/dbraw/zinc/41/40/16/527414016.db2.gz JZPLFBCCZYFXRT-OKILXGFUSA-N 1 0 326.831 4.194 50 0 EIAARO CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(-c3ccc4ccccc4c3)c2)C1 ZINC000216161499 536366272 /nfs/dbraw/zinc/36/62/72/536366272.db2.gz YATDHYZBTICSOR-JOCHJYFZSA-N 1 0 344.458 4.075 50 0 EIAARO CSc1ccc(Cl)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000010815284 563862220 /nfs/dbraw/zinc/86/22/20/563862220.db2.gz YCPGEISCENZEGW-UHFFFAOYSA-N 1 0 340.920 4.101 50 0 EIAARO Cc1nnc([C@@H](C)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)o1 ZINC000225550040 563991381 /nfs/dbraw/zinc/99/13/81/563991381.db2.gz SWVUHQBAEVOQNS-VHSXEESVSA-N 1 0 344.242 4.145 50 0 EIAARO Clc1cccc(Cl)c1OCCOCC[NH2+]Cc1ccccc1 ZINC000002822620 564117001 /nfs/dbraw/zinc/11/70/01/564117001.db2.gz XBGOBRTWBYBTPM-UHFFFAOYSA-N 1 0 340.250 4.179 50 0 EIAARO O=C(NC1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccc1 ZINC000000135971 563240620 /nfs/dbraw/zinc/24/06/20/563240620.db2.gz PDXMAQLWOBMEOX-UHFFFAOYSA-N 1 0 344.458 4.234 50 0 EIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000237463 563264074 /nfs/dbraw/zinc/26/40/74/563264074.db2.gz SBRUMGZRIDBGMG-AWEZNQCLSA-N 1 0 343.298 4.074 50 0 EIAARO Cc1[nH+]c2cc(NCc3ccc(Br)cc3)ccc2n1C ZINC000000239184 563264477 /nfs/dbraw/zinc/26/44/77/563264477.db2.gz ZUECERPWPWPFGO-UHFFFAOYSA-N 1 0 330.229 4.256 50 0 EIAARO CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000000514993 563339897 /nfs/dbraw/zinc/33/98/97/563339897.db2.gz OPIHRWBLWSQGRJ-UHFFFAOYSA-N 1 0 338.451 4.324 50 0 EIAARO CC[C@H](C[NH+](CC)CC)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000002023263 563418278 /nfs/dbraw/zinc/41/82/78/563418278.db2.gz MLDAYGZPPRLGLE-HXUWFJFHSA-N 1 0 339.479 4.482 50 0 EIAARO CC(C)[C@]1(CC[NH2+]Cc2ccc3c(c2)OCO3)CCOC(C)(C)C1 ZINC000002103306 563422632 /nfs/dbraw/zinc/42/26/32/563422632.db2.gz DMFDYEIPMKZHSB-HXUWFJFHSA-N 1 0 333.472 4.126 50 0 biogenic EIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000002514911 563435571 /nfs/dbraw/zinc/43/55/71/563435571.db2.gz QOKAPTVTOWQCEF-UHFFFAOYSA-N 1 0 331.337 4.308 50 0 EIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccccc1C(F)(F)F ZINC000002514910 563435591 /nfs/dbraw/zinc/43/55/91/563435591.db2.gz YLZUZAJVOIWYAW-UHFFFAOYSA-N 1 0 331.337 4.308 50 0 EIAARO C[C@@H](O)C[NH2+]CCCCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000002879643 563460409 /nfs/dbraw/zinc/46/04/09/563460409.db2.gz LWGFPBKYUKMXBW-MRXNPFEDSA-N 1 0 347.886 4.060 50 0 EIAARO CCCC[NH+](CCCC)C[C@H](O)COc1cccc2ccccc21 ZINC000002991744 563468126 /nfs/dbraw/zinc/46/81/26/563468126.db2.gz ZJCAHBZZKGAAAC-IBGZPJMESA-N 1 0 329.484 4.482 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000004685590 563507640 /nfs/dbraw/zinc/50/76/40/563507640.db2.gz VCYTVOGZPDNTHO-UHFFFAOYSA-N 1 0 328.843 4.035 50 0 EIAARO O=C(NCc1ccccc1Cl)C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000004725437 563509194 /nfs/dbraw/zinc/50/91/94/563509194.db2.gz AIRCSMGVNIKEIC-INIZCTEOSA-N 1 0 346.902 4.025 50 0 EIAARO COc1ccc(Oc2ccc3c(c2)c2c4n3CC[NH2+][C@H]4CCC2)cc1 ZINC000004817341 563512014 /nfs/dbraw/zinc/51/20/14/563512014.db2.gz LTMIZKVXZVNXNW-IBGZPJMESA-N 1 0 334.419 4.423 50 0 EIAARO Fc1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000004842675 563513114 /nfs/dbraw/zinc/51/31/14/563513114.db2.gz ACVCPGLQTJGYMZ-UHFFFAOYSA-N 1 0 325.339 4.104 50 0 EIAARO Clc1ccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000004981374 563517373 /nfs/dbraw/zinc/51/73/73/563517373.db2.gz PGXGCMIXIGLGBC-FQEVSTJZSA-N 1 0 326.871 4.020 50 0 EIAARO CC(=O)c1ccc(N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000005393998 563530646 /nfs/dbraw/zinc/53/06/46/563530646.db2.gz FAUYGUPXHYXWDI-SFHVURJKSA-N 1 0 336.479 4.033 50 0 EIAARO CCOC(=O)C1CC[NH+](CCCOc2ccccc2[C@@H](C)CC)CC1 ZINC000006702898 563580808 /nfs/dbraw/zinc/58/08/08/563580808.db2.gz WYWWNTUAGXAJBO-KRWDZBQOSA-N 1 0 347.499 4.244 50 0 EIAARO CSc1ccc(CN2CCC([NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000002734447 563609794 /nfs/dbraw/zinc/60/97/94/563609794.db2.gz JAJAPLOTFAAULU-IRXDYDNUSA-N 1 0 332.557 4.351 50 0 EIAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Cl)c1OC ZINC000008469853 563630837 /nfs/dbraw/zinc/63/08/37/563630837.db2.gz GJPFJMZCFXEEOQ-UHFFFAOYSA-N 1 0 335.875 4.272 50 0 EIAARO O=C(Nc1ccc(F)cc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010338004 563647679 /nfs/dbraw/zinc/64/76/79/563647679.db2.gz DYMIGBIFYLBXFU-UHFFFAOYSA-N 1 0 330.378 4.203 50 0 EIAARO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000011821362 563651343 /nfs/dbraw/zinc/65/13/43/563651343.db2.gz UIURJAPONCETKF-LJQANCHMSA-N 1 0 330.431 4.330 50 0 EIAARO CSCCC[N@@H+]1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012195749 563655709 /nfs/dbraw/zinc/65/57/09/563655709.db2.gz JGZYMZHGBBTVRP-AWEZNQCLSA-N 1 0 345.430 4.353 50 0 EIAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CCSCC2)c1C ZINC000012300249 563657308 /nfs/dbraw/zinc/65/73/08/563657308.db2.gz DNEAOVVZJIVFFR-SFHVURJKSA-N 1 0 341.524 4.352 50 0 EIAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)n1 ZINC000012319748 563658129 /nfs/dbraw/zinc/65/81/29/563658129.db2.gz FXRSVCJYTMRVIJ-MRXNPFEDSA-N 1 0 328.843 4.138 50 0 EIAARO CC(C)c1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000012382877 563659434 /nfs/dbraw/zinc/65/94/34/563659434.db2.gz FAUGYHPOHDKBGO-UHFFFAOYSA-N 1 0 342.508 4.266 50 0 EIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](CCCc2ccccc2)C1 ZINC000012429720 563660340 /nfs/dbraw/zinc/66/03/40/563660340.db2.gz ZMKGJJVJAOEAJN-QHCPKHFHSA-N 1 0 337.507 4.327 50 0 EIAARO Clc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cc1 ZINC000012430860 563660802 /nfs/dbraw/zinc/66/08/02/563660802.db2.gz XZYAAXKBARVTDG-QGZVFWFLSA-N 1 0 338.842 4.088 50 0 EIAARO Cc1c([C@H](C)[NH2+]Cc2cc(F)cc(F)c2)cnn1-c1cccc(F)c1 ZINC000012613322 563665375 /nfs/dbraw/zinc/66/53/75/563665375.db2.gz XQPGQISYTKQIEZ-LBPRGKRZSA-N 1 0 345.368 4.449 50 0 EIAARO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)ccc1F ZINC000012764401 563670478 /nfs/dbraw/zinc/67/04/78/563670478.db2.gz LKXJRTYPFIKUAZ-AWEZNQCLSA-N 1 0 339.414 4.179 50 0 EIAARO Cc1ccccc1C[N@@H+]1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012761755 563670502 /nfs/dbraw/zinc/67/05/02/563670502.db2.gz LDFGEXFIRVWMMU-NRFANRHFSA-N 1 0 343.898 4.466 50 0 EIAARO CC1=C(C)[C@H]([NH2+]Cc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O ZINC000013940713 563731699 /nfs/dbraw/zinc/73/16/99/563731699.db2.gz JMXHWXVTZFOEGV-HTAPYJJXSA-N 1 0 348.490 4.302 50 0 EIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000014244092 563754252 /nfs/dbraw/zinc/75/42/52/563754252.db2.gz QKKZRIVTNPLBIC-SFHVURJKSA-N 1 0 346.833 4.046 50 0 EIAARO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000015067652 563775610 /nfs/dbraw/zinc/77/56/10/563775610.db2.gz MFDUODSAWXDNKB-IBGZPJMESA-N 1 0 336.479 4.474 50 0 EIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccs2)N3)C1 ZINC000004554036 563777967 /nfs/dbraw/zinc/77/79/67/563777967.db2.gz XSULAHMHIMBIKB-CQSZACIVSA-N 1 0 333.482 4.005 50 0 EIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000015866927 563797904 /nfs/dbraw/zinc/79/79/04/563797904.db2.gz UJKRTLUMVZTKSB-AWEZNQCLSA-N 1 0 342.468 4.334 50 0 EIAARO CC[NH+](CC)CCN(C(=O)C(C)(C)C)c1nc2ccccc2s1 ZINC000004585318 563805154 /nfs/dbraw/zinc/80/51/54/563805154.db2.gz ILRNHKCFNYXJLN-UHFFFAOYSA-N 1 0 333.501 4.017 50 0 EIAARO Cc1ccc2c(c1)sc(C(=O)NCC[NH+]1CCCCC1)c2Cl ZINC000016605244 563817022 /nfs/dbraw/zinc/81/70/22/563817022.db2.gz XOYJZKWVHUNYDV-UHFFFAOYSA-N 1 0 336.888 4.079 50 0 EIAARO CCc1cccc(CC)c1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000043340278 563864356 /nfs/dbraw/zinc/86/43/56/563864356.db2.gz NNMZIVCWJBOSGM-KRWDZBQOSA-N 1 0 345.512 4.297 50 0 EIAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1cccc2cccnc21 ZINC000072274474 563902628 /nfs/dbraw/zinc/90/26/28/563902628.db2.gz LPUSOPQFRMOTIQ-GOSISDBHSA-N 1 0 334.467 4.354 50 0 EIAARO C[C@H]1C[NH+](CCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000020167649 563918221 /nfs/dbraw/zinc/91/82/21/563918221.db2.gz QGNHCJSZAPKCOJ-ROUUACIJSA-N 1 0 325.452 4.232 50 0 EIAARO CCC(C)(C)c1ccc(OC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000042770996 563924931 /nfs/dbraw/zinc/92/49/31/563924931.db2.gz BGMVLCYHBRYTPL-GFCCVEGCSA-N 1 0 326.278 4.125 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1ccc(OC)c(COC)c1 ZINC000055369417 563934584 /nfs/dbraw/zinc/93/45/84/563934584.db2.gz FAARIDCMXSNDCL-MRXNPFEDSA-N 1 0 328.456 4.037 50 0 EIAARO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cnc2ccccc2c1 ZINC000055404800 563934792 /nfs/dbraw/zinc/93/47/92/563934792.db2.gz DISIOPOCRLWCRI-UHFFFAOYSA-N 1 0 346.409 4.396 50 0 EIAARO Clc1cccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)c1 ZINC000057354898 563935563 /nfs/dbraw/zinc/93/55/63/563935563.db2.gz KJSHKHNPNKIJKU-UHFFFAOYSA-N 1 0 328.799 4.164 50 0 EIAARO Cc1ccccc1C[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000058162889 563938517 /nfs/dbraw/zinc/93/85/17/563938517.db2.gz RZKCXMICJSSORH-UHFFFAOYSA-N 1 0 332.488 4.074 50 0 EIAARO Fc1ccc(CSC2=[NH+][C@H]3CCCC[C@@H]3N2)c(Br)c1 ZINC000011171299 563942912 /nfs/dbraw/zinc/94/29/12/563942912.db2.gz YZIGHNMHQZWVFA-STQMWFEESA-N 1 0 343.265 4.092 50 0 EIAARO CCCCCOc1ccc(Br)cc1CSC(N)=[NH2+] ZINC000004862984 563992157 /nfs/dbraw/zinc/99/21/57/563992157.db2.gz TVLQEMVQTXJGQO-UHFFFAOYSA-N 1 0 331.279 4.145 50 0 EIAARO Cc1ccc(OCC[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000058392957 563944627 /nfs/dbraw/zinc/94/46/27/563944627.db2.gz VOMJEDCFCLYDIZ-UHFFFAOYSA-N 1 0 337.419 4.375 50 0 EIAARO Fc1ccc(CC[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)cc1 ZINC000060044074 563949558 /nfs/dbraw/zinc/94/95/58/563949558.db2.gz AFSRHUSHSFUHHM-UHFFFAOYSA-N 1 0 335.382 4.294 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1ccc(Sc2nncn2C)o1)C1CCCC1 ZINC000063869903 563956338 /nfs/dbraw/zinc/95/63/38/563956338.db2.gz ZNJGNVZYNGOYQR-CYBMUJFWSA-N 1 0 334.489 4.102 50 0 EIAARO Cc1cc(C[NH+]2CCN(c3nc4cc(C)ccc4o3)CC2)sc1C ZINC000065525860 563961788 /nfs/dbraw/zinc/96/17/88/563961788.db2.gz JMECNLONDYFJER-UHFFFAOYSA-N 1 0 341.480 4.137 50 0 EIAARO C[C@H](c1cccc2ccccc21)N(C)c1cc(C2CC[NH2+]CC2)ncn1 ZINC000067674219 563962469 /nfs/dbraw/zinc/96/24/69/563962469.db2.gz SEHQRCSMXFBKDC-MRXNPFEDSA-N 1 0 346.478 4.294 50 0 EIAARO COc1ccc(OC)c(Oc2cccc(C[NH+]3CCCC3)c2F)c1 ZINC000067774964 563962706 /nfs/dbraw/zinc/96/27/06/563962706.db2.gz ARFRKZSVWVFSJF-UHFFFAOYSA-N 1 0 331.387 4.231 50 0 EIAARO C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cccc2cnccc21 ZINC000067784954 563962732 /nfs/dbraw/zinc/96/27/32/563962732.db2.gz RGXYXUIGHCIZLW-UHFFFAOYSA-N 1 0 328.419 4.053 50 0 EIAARO COc1ccccc1-c1cccc(-c2cccc3c2O[C@@H](C[NH3+])C3)c1 ZINC000067850567 563962881 /nfs/dbraw/zinc/96/28/81/563962881.db2.gz INTPKKBZTGRWTF-GOSISDBHSA-N 1 0 331.415 4.291 50 0 EIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccc(F)cc3)n2C)cc1 ZINC000004678864 563963863 /nfs/dbraw/zinc/96/38/63/563963863.db2.gz DCRVCKAXPCYDJQ-UHFFFAOYSA-N 1 0 325.387 4.237 50 0 EIAARO CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2Cc1nc(C)no1 ZINC000097141125 563968289 /nfs/dbraw/zinc/96/82/89/563968289.db2.gz ZFQIWUGZORUVTE-KRWDZBQOSA-N 1 0 340.471 4.100 50 0 EIAARO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000097162452 563968442 /nfs/dbraw/zinc/96/84/42/563968442.db2.gz NTNPVXVTTRAYEL-BXUZGUMPSA-N 1 0 340.254 4.082 50 0 EIAARO Cc1cc2cccc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)c2o1 ZINC000082091329 563972059 /nfs/dbraw/zinc/97/20/59/563972059.db2.gz UKEXSNOOTAKRKK-SFHVURJKSA-N 1 0 340.467 4.222 50 0 EIAARO c1ccc2c(c1)-c1ccccc1C2[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082157211 563972755 /nfs/dbraw/zinc/97/27/55/563972755.db2.gz ARPBNEAEBNZOBM-INIZCTEOSA-N 1 0 335.447 4.074 50 0 EIAARO Fc1cccc(N2CC[NH+](Cc3ccccc3)CC2)c1C(F)(F)F ZINC000095080916 563976637 /nfs/dbraw/zinc/97/66/37/563976637.db2.gz XALZIKKTAFMVAW-UHFFFAOYSA-N 1 0 338.348 4.167 50 0 EIAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccccc3)CC2)C1 ZINC000095352348 563976712 /nfs/dbraw/zinc/97/67/12/563976712.db2.gz VYVKGRXMRSOHTB-OAQYLSRUSA-N 1 0 348.490 4.028 50 0 EIAARO O=C(CCC[N@H+]1CC=C(Oc2ccc(F)cc2)CC1)c1ccccc1 ZINC000095918164 563977739 /nfs/dbraw/zinc/97/77/39/563977739.db2.gz WXBHXOVUYJHQCG-UHFFFAOYSA-N 1 0 339.410 4.457 50 0 EIAARO Cc1nc2[nH]nc(N)c2c(C)c1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000096140016 563979488 /nfs/dbraw/zinc/97/94/88/563979488.db2.gz PPJHNVMKKFNHMX-HNNXBMFYSA-N 1 0 349.482 4.371 50 0 EIAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)C1 ZINC000096139878 563979497 /nfs/dbraw/zinc/97/94/97/563979497.db2.gz MACIGAUTVKOLTK-SFHVURJKSA-N 1 0 343.858 4.175 50 0 EIAARO CCN(CC[NH+]1CCCCCC1)Cc1ccc([C@@H]2CCCCO2)o1 ZINC000097324011 563981464 /nfs/dbraw/zinc/98/14/64/563981464.db2.gz XBNPNLBTQFJLSQ-IBGZPJMESA-N 1 0 334.504 4.219 50 0 EIAARO Cc1nc(C2CC[NH+](Cc3ccc(C4CCCC4)s3)CC2)no1 ZINC000097758018 563981902 /nfs/dbraw/zinc/98/19/02/563981902.db2.gz MQIAGAZEWOOAES-UHFFFAOYSA-N 1 0 331.485 4.477 50 0 EIAARO C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc2c(c1)CCCC2 ZINC000014180350 563983365 /nfs/dbraw/zinc/98/33/65/563983365.db2.gz UEOHMWSLBSNFSO-INIZCTEOSA-N 1 0 336.479 4.118 50 0 EIAARO CC1CCC([NH+]2CCC(N(C)c3ncnc4ccsc43)CC2)CC1 ZINC000060874484 563983665 /nfs/dbraw/zinc/98/36/65/563983665.db2.gz YUVXTMKQFHBXEA-UHFFFAOYSA-N 1 0 344.528 4.171 50 0 EIAARO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc2c1N=S=N2 ZINC000060890004 563983892 /nfs/dbraw/zinc/98/38/92/563983892.db2.gz FZJBYCIIMLQIPF-GFCCVEGCSA-N 1 0 332.473 4.252 50 0 EIAARO c1ccc(OCCn2c(C[NH+]3CCCCCC3)nc3ccccc32)cc1 ZINC000011692527 563990983 /nfs/dbraw/zinc/99/09/83/563990983.db2.gz DFJFUMBLRARXKS-UHFFFAOYSA-N 1 0 349.478 4.491 50 0 EIAARO COc1ccc(C2(C[NH2+]Cc3ccc(O)cc3)CCCC2)cc1OC ZINC000000344091 563991397 /nfs/dbraw/zinc/99/13/97/563991397.db2.gz HJEINUJWIUWQJR-UHFFFAOYSA-N 1 0 341.451 4.011 50 0 biogenic EIAARO CC1(C)[C@H]2CCCC[C@H]2[C@@H]1[NH2+]C1CCN(C(=O)C2CCCCC2)CC1 ZINC000121908138 563994293 /nfs/dbraw/zinc/99/42/93/563994293.db2.gz REQHQYJJNXKOHS-AABGKKOBSA-N 1 0 346.559 4.362 50 0 EIAARO CC(C)C(=O)OC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252675662 563998130 /nfs/dbraw/zinc/99/81/30/563998130.db2.gz UPXITFPVTSHUBP-ZBFHGGJFSA-N 1 0 343.389 4.288 50 0 EIAARO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000061799680 564001439 /nfs/dbraw/zinc/00/14/39/564001439.db2.gz WVZMKRXQRZVQIS-NRFANRHFSA-N 1 0 347.462 4.150 50 0 EIAARO C=C1C(CC)=C(c2ccccc2)[NH+]=C(c2ccccc2)N1CCCO ZINC000005478429 564004543 /nfs/dbraw/zinc/00/45/43/564004543.db2.gz MBQAPNYAFNKKBX-UHFFFAOYSA-N 1 0 332.447 4.466 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000018179946 564018593 /nfs/dbraw/zinc/01/85/93/564018593.db2.gz ITWRHJPFYUJFSK-GOSISDBHSA-N 1 0 347.409 4.169 50 0 EIAARO O[C@@H](C[NH+]1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc21 ZINC000000506754 564019534 /nfs/dbraw/zinc/01/95/34/564019534.db2.gz AVIDNPPGLHHWKD-QFIPXVFZSA-N 1 0 334.463 4.156 50 0 EIAARO CCOc1cccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000000556308 564023136 /nfs/dbraw/zinc/02/31/36/564023136.db2.gz VEQMZVFDLMNPIE-UHFFFAOYSA-N 1 0 338.451 4.324 50 0 EIAARO C[C@@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000015565850 564024244 /nfs/dbraw/zinc/02/42/44/564024244.db2.gz ZBUQQLTXAIUSEC-LLVKDONJSA-N 1 0 334.213 4.029 50 0 EIAARO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000046814928 564025442 /nfs/dbraw/zinc/02/54/42/564025442.db2.gz ODPRBYFTWRVFIT-HOTGVXAUSA-N 1 0 333.435 4.221 50 0 EIAARO CN(C(=O)C[N@H+](C)[C@H]1CCc2ccccc21)[C@@H]1CCCc2ccccc21 ZINC000107329853 564026856 /nfs/dbraw/zinc/02/68/56/564026856.db2.gz LZKDECIYLKGNLC-FCHUYYIVSA-N 1 0 348.490 4.142 50 0 EIAARO O[C@@H]1CCC[C@@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000108373344 564028181 /nfs/dbraw/zinc/02/81/81/564028181.db2.gz RTUWWBKEHHZFEW-CSMYWGQOSA-N 1 0 338.289 4.041 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCCc2ccccc2)cc1 ZINC000048289822 564030539 /nfs/dbraw/zinc/03/05/39/564030539.db2.gz YSNRIIPHTGLTTL-UHFFFAOYSA-N 1 0 338.495 4.168 50 0 EIAARO CC(C)CC1([NH2+]C2CCN(c3ccc(-n4cccn4)cc3)CC2)CC1 ZINC000048436075 564031800 /nfs/dbraw/zinc/03/18/00/564031800.db2.gz UMEKMAWJMIGWRP-UHFFFAOYSA-N 1 0 338.499 4.009 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccsc1 ZINC000012349048 564034979 /nfs/dbraw/zinc/03/49/79/564034979.db2.gz QPFMBQYRUHBKDS-QGZVFWFLSA-N 1 0 330.497 4.078 50 0 EIAARO Cc1cc2c(ncnc2N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000225532975 564047576 /nfs/dbraw/zinc/04/75/76/564047576.db2.gz GIMJXPDIWVJETJ-XJKSGUPXSA-N 1 0 326.469 4.103 50 0 EIAARO CC(C)c1noc([C@@H](C)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000225615762 564048467 /nfs/dbraw/zinc/04/84/67/564048467.db2.gz JTCSSKWSNMLIMV-SJLPKXTDSA-N 1 0 344.503 4.000 50 0 EIAARO Cc1cc(-c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)ccc1Cl ZINC000426726664 564051515 /nfs/dbraw/zinc/05/15/15/564051515.db2.gz ABGOVDUIQRSGPO-UHFFFAOYSA-N 1 0 344.886 4.339 50 0 EIAARO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@H](C)c2ccncc2F)cc1 ZINC000240757072 564051799 /nfs/dbraw/zinc/05/17/99/564051799.db2.gz HWCXYQUEZXKCGI-MDYRTPRTSA-N 1 0 328.431 4.348 50 0 EIAARO Cc1cccc(Cn2cc(C[NH2+]C[C@H]3CCCO3)c3ccccc32)c1 ZINC000247954538 564052866 /nfs/dbraw/zinc/05/28/66/564052866.db2.gz ZQSHVNXQJLAGKV-HXUWFJFHSA-N 1 0 334.463 4.267 50 0 EIAARO C[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000248084248 564052929 /nfs/dbraw/zinc/05/29/29/564052929.db2.gz DEWDMKSOKVKSPW-UHFFFAOYSA-N 1 0 347.249 4.020 50 0 EIAARO COc1ccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(C)cc2)cc1Cl ZINC000248143094 564053043 /nfs/dbraw/zinc/05/30/43/564053043.db2.gz GJASQCPZJSUPBP-DLBZAZTESA-N 1 0 343.854 4.185 50 0 EIAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000015062965 564053217 /nfs/dbraw/zinc/05/32/17/564053217.db2.gz MKGPXSDMTYPBPO-OAQYLSRUSA-N 1 0 346.478 4.257 50 0 EIAARO C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C[NH+](C)C ZINC000052666169 564054562 /nfs/dbraw/zinc/05/45/62/564054562.db2.gz OWWIHUVBDMXECU-HNNXBMFYSA-N 1 0 328.481 4.009 50 0 EIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000019111118 564057783 /nfs/dbraw/zinc/05/77/83/564057783.db2.gz VFJKEFKAKRPMQH-OAHLLOKOSA-N 1 0 337.341 4.393 50 0 EIAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(Cl)c2)cc1 ZINC000012530440 564058229 /nfs/dbraw/zinc/05/82/29/564058229.db2.gz XVKLOGCJWNSETO-UHFFFAOYSA-N 1 0 327.815 4.029 50 0 EIAARO O=C(Cc1ccsc1)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000012564052 564059666 /nfs/dbraw/zinc/05/96/66/564059666.db2.gz AJPVBSRWIQBBGV-UHFFFAOYSA-N 1 0 325.437 4.005 50 0 EIAARO CCS(=O)(=O)c1ccc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)s1 ZINC000534636277 564061356 /nfs/dbraw/zinc/06/13/56/564061356.db2.gz GNJORBFMFIHHKW-CQSZACIVSA-N 1 0 349.521 4.366 50 0 EIAARO CO[C@H](C)c1nc(CNC2(c3nc(C)cs3)CCCC2)cs1 ZINC000083225676 564062700 /nfs/dbraw/zinc/06/27/00/564062700.db2.gz FCDMQZRDTSGRFW-GFCCVEGCSA-N 1 0 337.514 4.175 50 0 EIAARO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3c3ccccc3)o2)cc1 ZINC000083952370 564065086 /nfs/dbraw/zinc/06/50/86/564065086.db2.gz GLEQIANVIWZKDF-GOSISDBHSA-N 1 0 335.407 4.082 50 0 EIAARO COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCC3)cc1 ZINC000012760666 564067566 /nfs/dbraw/zinc/06/75/66/564067566.db2.gz DSSQFPZHMJPSMA-UHFFFAOYSA-N 1 0 325.819 4.040 50 0 EIAARO CC(C)c1ccc(C[N@H+](C)[C@H](C)C(=O)NCc2cccs2)cc1 ZINC000012767476 564068262 /nfs/dbraw/zinc/06/82/62/564068262.db2.gz FRSZFMJMNNWBIN-OAHLLOKOSA-N 1 0 330.497 4.008 50 0 EIAARO Fc1cc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c2c(c1)COCO2 ZINC000084528470 564068577 /nfs/dbraw/zinc/06/85/77/564068577.db2.gz KUSKJPXJSPZFEA-FQEVSTJZSA-N 1 0 341.426 4.289 50 0 EIAARO O[C@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000033015076 564068663 /nfs/dbraw/zinc/06/86/63/564068663.db2.gz NLYDMZIZDAUGBL-SJLPKXTDSA-N 1 0 338.476 4.209 50 0 EIAARO C[C@H](NCc1csc(-c2cnn(C)c2)n1)c1ccccc1Cl ZINC000084660587 564069474 /nfs/dbraw/zinc/06/94/74/564069474.db2.gz XSOIWFHTRKGSSH-NSHDSACASA-N 1 0 332.860 4.048 50 0 EIAARO Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012782217 564070054 /nfs/dbraw/zinc/07/00/54/564070054.db2.gz UASGSKCAXINGKU-FXAWDEMLSA-N 1 0 337.467 4.342 50 0 EIAARO c1ccc2oc(N3CC[NH+](Cc4cccc5ccccc54)CC3)nc2c1 ZINC000012812005 564072829 /nfs/dbraw/zinc/07/28/29/564072829.db2.gz OTLCCOXNPBEBIM-UHFFFAOYSA-N 1 0 343.430 4.303 50 0 EIAARO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000006087047 564073739 /nfs/dbraw/zinc/07/37/39/564073739.db2.gz YHPJZFFADHNXOR-IPMKNSEASA-N 1 0 331.500 4.062 50 0 EIAARO C[C@H]1C[C@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)c2ccsc2S1 ZINC000090542933 564084647 /nfs/dbraw/zinc/08/46/47/564084647.db2.gz BQMRMHBEIDYWOT-LMRQPLJMSA-N 1 0 341.567 4.318 50 0 EIAARO FC(F)(F)c1cccc([C@@H]([NH2+]C2CCN(C3CC3)CC2)C2CC2)c1 ZINC000091268679 564087443 /nfs/dbraw/zinc/08/74/43/564087443.db2.gz MOUVVLCIJITKCC-SFHVURJKSA-N 1 0 338.417 4.373 50 0 EIAARO CCc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1 ZINC000239415233 564088120 /nfs/dbraw/zinc/08/81/20/564088120.db2.gz UAPMFWFLFBRFLV-FCHUYYIVSA-N 1 0 326.528 4.478 50 0 EIAARO CCc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1 ZINC000239415234 564088137 /nfs/dbraw/zinc/08/81/37/564088137.db2.gz UAPMFWFLFBRFLV-FGZHOGPDSA-N 1 0 326.528 4.478 50 0 EIAARO [NH3+]CCCCCc1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000001873287 564089008 /nfs/dbraw/zinc/08/90/08/564089008.db2.gz IHOVLTVAOHAZGH-UHFFFAOYSA-N 1 0 346.283 4.340 50 0 EIAARO COC(=O)c1ccc(C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089404538 564090025 /nfs/dbraw/zinc/09/00/25/564090025.db2.gz FTTOHZCVYFSZIA-UHFFFAOYSA-N 1 0 346.430 4.244 50 0 EIAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000006508825 564091212 /nfs/dbraw/zinc/09/12/12/564091212.db2.gz ISVHPCPXQSCKQP-DYESRHJHSA-N 1 0 336.479 4.009 50 0 EIAARO O=C(Nc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1)c1ccncc1 ZINC000192709917 564092882 /nfs/dbraw/zinc/09/28/82/564092882.db2.gz XTHZBDOJETZSML-LJQANCHMSA-N 1 0 347.418 4.094 50 0 EIAARO CO[C@]12CC[N@H+](Cc3cc(F)ccc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426369481 564093516 /nfs/dbraw/zinc/09/35/16/564093516.db2.gz ZSVKUUWBGWEHPX-PCCBWWKXSA-N 1 0 347.474 4.073 50 0 EIAARO O[C@@H]1c2ccc(-c3cc(F)cc(Cl)c3)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426683815 564094377 /nfs/dbraw/zinc/09/43/77/564094377.db2.gz MQEMTDVQBBMSGX-IEBWSBKVSA-N 1 0 347.817 4.036 50 0 EIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2)c1 ZINC000036100693 564096117 /nfs/dbraw/zinc/09/61/17/564096117.db2.gz CHRRRSIGIZYEKE-NRFANRHFSA-N 1 0 341.495 4.283 50 0 EIAARO COc1ccc(CC[NH2+]CC[C@@H](c2ccco2)C(C)C)cc1OC ZINC000006760422 564097306 /nfs/dbraw/zinc/09/73/06/564097306.db2.gz ZKBZPCVDEXRTNM-QGZVFWFLSA-N 1 0 331.456 4.259 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)c(C)c1 ZINC000006877172 564100371 /nfs/dbraw/zinc/10/03/71/564100371.db2.gz BIWHSTYFPUPNRY-UHFFFAOYSA-N 1 0 329.488 4.033 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H]2CC2CCCCC2)CC1 ZINC000170602088 564109492 /nfs/dbraw/zinc/10/94/92/564109492.db2.gz MOZDZHRPAWTYOG-IBGZPJMESA-N 1 0 335.536 4.004 50 0 EIAARO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000170624921 564110401 /nfs/dbraw/zinc/11/04/01/564110401.db2.gz BRDSFTLHQIRNKE-HXUWFJFHSA-N 1 0 336.435 4.055 50 0 EIAARO Cc1[nH+]c(CNC(=O)Nc2cccc3ccccc32)c2ccccn12 ZINC000089708978 564113345 /nfs/dbraw/zinc/11/33/45/564113345.db2.gz QFDVFMGUAQEUKN-UHFFFAOYSA-N 1 0 330.391 4.118 50 0 EIAARO Fc1cccc(Cl)c1[C@@H](C[NH2+]Cc1cccs1)N1CCCC1 ZINC000089768029 564113596 /nfs/dbraw/zinc/11/35/96/564113596.db2.gz XARVYHBXFFCXJR-MRXNPFEDSA-N 1 0 338.879 4.467 50 0 EIAARO Fc1ccc(OCC[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000089866581 564114428 /nfs/dbraw/zinc/11/44/28/564114428.db2.gz CKLNAGGAEXKGEG-UHFFFAOYSA-N 1 0 336.410 4.475 50 0 EIAARO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cccc(-n2cccn2)c1 ZINC000089905374 564115107 /nfs/dbraw/zinc/11/51/07/564115107.db2.gz UHFRQVOCARRGDR-CQSZACIVSA-N 1 0 338.480 4.447 50 0 EIAARO COc1ccc(C)cc1NC(=O)[C@H](C)N1CCC[C@H]1c1cccs1 ZINC000252444140 564118437 /nfs/dbraw/zinc/11/84/37/564118437.db2.gz CHGMHJXHCWOEEE-HOCLYGCPSA-N 1 0 344.480 4.229 50 0 EIAARO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000065877165 564121899 /nfs/dbraw/zinc/12/18/99/564121899.db2.gz TUPKSIBPPWBJBF-JOCHJYFZSA-N 1 0 348.490 4.384 50 0 EIAARO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NCc3nnsc3Cl)c2C1 ZINC000195537974 564123636 /nfs/dbraw/zinc/12/36/36/564123636.db2.gz OJURGRXSPDOWKP-NSHDSACASA-N 1 0 336.892 4.164 50 0 EIAARO C[C@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1F ZINC000007878868 564124314 /nfs/dbraw/zinc/12/43/14/564124314.db2.gz BWNAFHKJMLZDGV-JTQLQIEISA-N 1 0 338.835 4.098 50 0 EIAARO O[C@H](C[C@@H]1CCCCCN1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416133 564130746 /nfs/dbraw/zinc/13/07/46/564130746.db2.gz WJVHRCCVMUSQPT-JKSUJKDBSA-N 1 0 330.428 4.013 50 0 EIAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H]3CCC[C@@H](C)[C@H]3C)nc(=O)c2c1C ZINC000253534295 564133054 /nfs/dbraw/zinc/13/30/54/564133054.db2.gz ARUUIBKLJBLXSB-KOXOONSLSA-N 1 0 333.501 4.489 50 0 EIAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000007941427 564135300 /nfs/dbraw/zinc/13/53/00/564135300.db2.gz FEFUJYIXYQSBEP-UHFFFAOYSA-N 1 0 340.442 4.050 50 0 EIAARO CC(C)[N@@H+]1CC[C@H](Nc2nc(-c3cccs3)nc3ccccc32)C1 ZINC000095377631 564139365 /nfs/dbraw/zinc/13/93/65/564139365.db2.gz IEOBRRPCNMSPQH-AWEZNQCLSA-N 1 0 338.480 4.253 50 0 EIAARO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095401050 564139493 /nfs/dbraw/zinc/13/94/93/564139493.db2.gz WYOQIJNWQJCASY-WCQYABFASA-N 1 0 331.466 4.238 50 0 EIAARO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000095419359 564139808 /nfs/dbraw/zinc/13/98/08/564139808.db2.gz XYKWCHDODVTSRF-LSDHHAIUSA-N 1 0 340.423 4.064 50 0 EIAARO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(C)s1 ZINC000095419430 564139824 /nfs/dbraw/zinc/13/98/24/564139824.db2.gz OOGUYISZOWZHQH-KBPBESRZSA-N 1 0 326.469 4.357 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000095419572 564139868 /nfs/dbraw/zinc/13/98/68/564139868.db2.gz GFRDZYHAKFQRGS-IIBYNOLFSA-N 1 0 347.462 4.337 50 0 EIAARO Cc1cc([C@@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)c(C)s1 ZINC000095420149 564139897 /nfs/dbraw/zinc/13/98/97/564139897.db2.gz TUTAHXJJZZATQT-OAHLLOKOSA-N 1 0 325.481 4.461 50 0 EIAARO Cc1cc([C@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c(C)s1 ZINC000095420647 564139961 /nfs/dbraw/zinc/13/99/61/564139961.db2.gz BCZGASIJEYCCIV-HNNXBMFYSA-N 1 0 342.508 4.338 50 0 EIAARO CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccs1 ZINC000095420841 564139996 /nfs/dbraw/zinc/13/99/96/564139996.db2.gz IDPAVSGUUHVFCG-SJORKVTESA-N 1 0 344.480 4.107 50 0 EIAARO O=C(Nc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1)c1cccnc1 ZINC000095421422 564140016 /nfs/dbraw/zinc/14/00/16/564140016.db2.gz JJFVOSFASUQMIQ-NRFANRHFSA-N 1 0 343.430 4.111 50 0 EIAARO Cc1noc(C)c1C[C@H](C)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000095422806 564140178 /nfs/dbraw/zinc/14/01/78/564140178.db2.gz WHCJKFLHDCXCTK-ZDUSSCGKSA-N 1 0 347.890 4.134 50 0 EIAARO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000095967917 564143094 /nfs/dbraw/zinc/14/30/94/564143094.db2.gz GCKMXBXQHMDWOJ-WOJBJXKFSA-N 1 0 349.540 4.146 50 0 EIAARO Cc1ccccc1[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000095967946 564143106 /nfs/dbraw/zinc/14/31/06/564143106.db2.gz PGRAQIQGWPHNQE-QRWLVFNGSA-N 1 0 343.492 4.200 50 0 EIAARO Fc1ccc([C@H](Cn2ccnc2)[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000096013540 564144778 /nfs/dbraw/zinc/14/47/78/564144778.db2.gz IRSTYNNTMFFZIQ-SFTDATJTSA-N 1 0 335.426 4.431 50 0 EIAARO CCOc1ccccc1NC(=O)OCCC[NH+]1CC2CCC(CC2)C1 ZINC000096027328 564145006 /nfs/dbraw/zinc/14/50/06/564145006.db2.gz KNJOKBFRFQFAFQ-UHFFFAOYSA-N 1 0 346.471 4.146 50 0 EIAARO Cc1ccc([C@@H]2CN(C(=O)CC(C)C)C[C@H]2C[NH+]2CCCCC2)cc1 ZINC000096281442 564146385 /nfs/dbraw/zinc/14/63/85/564146385.db2.gz MKYXODPCJOUVMB-RTWAWAEBSA-N 1 0 342.527 4.069 50 0 EIAARO CC1=C(C)[C@@H]([NH2+]Cc2ccccc2)N([C@H](C)CCc2ccccc2)C1=O ZINC000057270762 564153456 /nfs/dbraw/zinc/15/34/56/564153456.db2.gz JMXHWXVTZFOEGV-VGSWGCGISA-N 1 0 348.490 4.302 50 0 EIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2c(C)cccc2C)CC1 ZINC000003588728 564159096 /nfs/dbraw/zinc/15/90/96/564159096.db2.gz OEKNJNVUCXOILL-UHFFFAOYSA-N 1 0 333.545 4.197 50 0 EIAARO O=C(Cc1cccc2ccccc21)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000004029563 564160121 /nfs/dbraw/zinc/16/01/21/564160121.db2.gz QWMBISUDXDWQJQ-CTNGQTDRSA-N 1 0 337.463 4.190 50 0 biogenic EIAARO COc1ccc([C@@]2(CC[NH2+]Cc3ccco3)CCOC(C)(C)C2)cc1 ZINC000032124294 564160905 /nfs/dbraw/zinc/16/09/05/564160905.db2.gz BHHCRSWSEUUBQK-NRFANRHFSA-N 1 0 343.467 4.295 50 0 biogenic EIAARO O[C@@H](C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 ZINC000008118219 564162756 /nfs/dbraw/zinc/16/27/56/564162756.db2.gz DGWSKKLWQXQCDE-SFHVURJKSA-N 1 0 338.476 4.209 50 0 EIAARO CCC(C)(C)[NH2+][C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000008132463 564163028 /nfs/dbraw/zinc/16/30/28/564163028.db2.gz KDJQXSULVABSQQ-IBGZPJMESA-N 1 0 340.467 4.462 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@@H]1CCCc2ccccc21 ZINC000008266663 564163870 /nfs/dbraw/zinc/16/38/70/564163870.db2.gz WQIDDIHNXZMZHP-MRXNPFEDSA-N 1 0 348.368 4.052 50 0 EIAARO c1cc2c(ncnc2NCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000008324820 564164402 /nfs/dbraw/zinc/16/44/02/564164402.db2.gz FLXHIIJCGQJVAP-UHFFFAOYSA-N 1 0 338.480 4.289 50 0 EIAARO CCc1cccc2c(=O)c(C[N@@H+]3CCc4ccccc4C3)c(C)[nH]c12 ZINC000008717568 564166772 /nfs/dbraw/zinc/16/67/72/564166772.db2.gz UPUSOFJTQWKCSY-UHFFFAOYSA-N 1 0 332.447 4.370 50 0 EIAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCSc2ccccc21 ZINC000008728525 564167018 /nfs/dbraw/zinc/16/70/18/564167018.db2.gz CMXRZRFRIQCFQP-RHSMWYFYSA-N 1 0 326.465 4.230 50 0 EIAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCSc2ccccc21 ZINC000008728526 564167046 /nfs/dbraw/zinc/16/70/46/564167046.db2.gz CMXRZRFRIQCFQP-YOEHRIQHSA-N 1 0 326.465 4.230 50 0 EIAARO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000008753056 564167312 /nfs/dbraw/zinc/16/73/12/564167312.db2.gz CEWPTAYMEWANIJ-YWZLYKJASA-N 1 0 338.451 4.203 50 0 EIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1c[nH]c2ccccc12 ZINC000008855700 564167473 /nfs/dbraw/zinc/16/74/73/564167473.db2.gz XWJVJJKYJBPEAT-UHFFFAOYSA-N 1 0 339.483 4.087 50 0 EIAARO CC[NH+](CC)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000040007886 564167837 /nfs/dbraw/zinc/16/78/37/564167837.db2.gz WRNVKUMGZHIQAU-UHFFFAOYSA-N 1 0 331.485 4.016 50 0 EIAARO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000040153681 564168409 /nfs/dbraw/zinc/16/84/09/564168409.db2.gz ZRAPWCIKICLUMA-QGZVFWFLSA-N 1 0 336.464 4.246 50 0 EIAARO CCSc1ccccc1NC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000069968317 564172895 /nfs/dbraw/zinc/17/28/95/564172895.db2.gz VJWLCDODSVSEEQ-UHFFFAOYSA-N 1 0 347.528 4.327 50 0 EIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1csc2c1CCCC2 ZINC000041970670 564174535 /nfs/dbraw/zinc/17/45/35/564174535.db2.gz WOHUVULKFFSGMO-UHFFFAOYSA-N 1 0 340.492 4.475 50 0 EIAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C(C)C ZINC000009942775 564174893 /nfs/dbraw/zinc/17/48/93/564174893.db2.gz XBNPTRFHSVMHLW-UHFFFAOYSA-N 1 0 342.487 4.342 50 0 EIAARO CC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010338127 564175300 /nfs/dbraw/zinc/17/53/00/564175300.db2.gz QPOTYGSWSJVFHM-UHFFFAOYSA-N 1 0 336.435 4.127 50 0 EIAARO O[C@]12CCCC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000022023020 1020873825 /nfs/dbraw/zinc/87/38/25/1020873825.db2.gz XSKNHOKETLLVAN-BDTNDASRSA-N 1 0 337.463 4.221 50 0 EIAARO C[NH+](C)C[C@@H](NC(=O)/C=C\c1cccc2ccccc12)c1ccccc1 ZINC000098004021 1023193606 /nfs/dbraw/zinc/19/36/06/1023193606.db2.gz GLSARPJENNLTOL-XOAGPTPASA-N 1 0 344.458 4.272 50 0 EIAARO Cc1ccsc1C[NH+]1CCC(CCc2noc(C3CC3)n2)CC1 ZINC000675019234 1023325174 /nfs/dbraw/zinc/32/51/74/1023325174.db2.gz JSGIMMKTMQCUDH-UHFFFAOYSA-N 1 0 331.485 4.162 50 0 EIAARO CC(C)c1nsc(NC[C@@H](c2ccc(Cl)cc2)n2ccnc2)n1 ZINC000888094915 1025952366 /nfs/dbraw/zinc/95/23/66/1025952366.db2.gz GZQDBEQDDJHLMB-AWEZNQCLSA-N 1 0 347.875 4.213 50 0 EIAARO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000888101159 1026024424 /nfs/dbraw/zinc/02/44/24/1026024424.db2.gz KQAAGFXJXLBZLA-ZDUSSCGKSA-N 1 0 342.393 4.364 50 0 EIAARO Cc1ccccc1NC(=O)CC[NH2+][C@@H](C)CCc1c[nH]c2ccccc12 ZINC000821175192 1043919108 /nfs/dbraw/zinc/91/91/08/1043919108.db2.gz FJSHCGXMXBCWBG-KRWDZBQOSA-N 1 0 349.478 4.416 50 0 EIAARO CC(C)Cc1ccc(C[NH+]2CCC(CCn3cccn3)CC2)s1 ZINC000821459853 1043955998 /nfs/dbraw/zinc/95/59/98/1043955998.db2.gz KFTNNAURYSCKHG-UHFFFAOYSA-N 1 0 331.529 4.445 50 0 EIAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccc(O)c2)c1C ZINC000012596955 1044444790 /nfs/dbraw/zinc/44/47/90/1044444790.db2.gz FPXZRTYLVRLCBT-FQEVSTJZSA-N 1 0 347.462 4.362 50 0 EIAARO C/C=C(\C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000012712813 1044493366 /nfs/dbraw/zinc/49/33/66/1044493366.db2.gz NFFMUUDELKWIJT-KAKVSTIOSA-N 1 0 336.479 4.248 50 0 EIAARO COc1cccc(C[C@]2(CO)CCC[N@H+](CCCC3CCCC3)C2)c1 ZINC000012589905 1044914546 /nfs/dbraw/zinc/91/45/46/1044914546.db2.gz QCLKEQMJODSKTP-JOCHJYFZSA-N 1 0 345.527 4.283 50 0 EIAARO [NH3+]Cc1ccc(C(=O)Nc2nc3ccccc3n2C2CCCCC2)cc1 ZINC000154454215 1047015821 /nfs/dbraw/zinc/01/58/21/1047015821.db2.gz OPBKZTHYVYWOOP-UHFFFAOYSA-N 1 0 348.450 4.253 50 0 EIAARO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](OCc2ccncc2)C1 ZINC000192907855 1049510429 /nfs/dbraw/zinc/51/04/29/1049510429.db2.gz MYYZFOFDVQTSTH-SFHVURJKSA-N 1 0 333.435 4.042 50 0 EIAARO CC/C=C(/C[N@H+](C)C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1 ZINC000952869406 1049678175 /nfs/dbraw/zinc/67/81/75/1049678175.db2.gz IGWMRFXYEGQRHY-KLSKMWHSSA-N 1 0 328.500 4.059 50 0 EIAARO Fc1ccccc1CN1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000952972152 1049684447 /nfs/dbraw/zinc/68/44/47/1049684447.db2.gz WJOLDFUTJOCQJH-LJQANCHMSA-N 1 0 337.442 4.061 50 0 EIAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1cccc(-c2ccccc2)c1 ZINC000952967222 1049686643 /nfs/dbraw/zinc/68/66/43/1049686643.db2.gz ASWAQPNGEVSMOI-UHFFFAOYSA-N 1 0 336.479 4.300 50 0 EIAARO CCc1nccc(C[NH2+]CC[C@H](c2ccco2)c2ccc(F)cc2)n1 ZINC000952974782 1049686665 /nfs/dbraw/zinc/68/66/65/1049686665.db2.gz FQDAKNLRAKWZSG-SFHVURJKSA-N 1 0 339.414 4.083 50 0 EIAARO CCOc1cccc(NC(=O)N2CCCC[C@H]2c2cncn2CC)c1 ZINC000952995013 1049690648 /nfs/dbraw/zinc/69/06/48/1049690648.db2.gz AGQUZCJEMJQRPF-KRWDZBQOSA-N 1 0 342.443 4.061 50 0 EIAARO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)sc1-c1cccc(Cl)c1 ZINC000170868256 1049787647 /nfs/dbraw/zinc/78/76/47/1049787647.db2.gz ASJVSLAPZWGLRC-OAHLLOKOSA-N 1 0 348.899 4.153 50 0 EIAARO CCC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C[C@H]1CCCCO1 ZINC000183611526 1051184229 /nfs/dbraw/zinc/18/42/29/1051184229.db2.gz XWKAMMOLKBVQBZ-GFCCVEGCSA-N 1 0 336.423 4.251 50 0 EIAARO Cc1cc(C[NH2+]Cc2cnc3n2CCCC3)ccc1Oc1cccnc1 ZINC000367416750 1051765619 /nfs/dbraw/zinc/76/56/19/1051765619.db2.gz YGYNIAYZUGPOFN-UHFFFAOYSA-N 1 0 348.450 4.005 50 0 EIAARO CC1CC[NH+](CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000006877186 201703467 /nfs/dbraw/zinc/70/34/67/201703467.db2.gz HLCXIHMJQJAIET-UHFFFAOYSA-N 1 0 349.906 4.316 50 0 EIAARO COc1cccc(C[NH2+]Cc2ccccc2C(F)(F)F)c1OC ZINC000055008612 214263768 /nfs/dbraw/zinc/26/37/68/214263768.db2.gz RVLWWQRVVUDWHY-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(CCC(=O)N3CCCC3)CC2)o1 ZINC000012472191 201850313 /nfs/dbraw/zinc/85/03/13/201850313.db2.gz WNDQVFTVDXFVCZ-KRWDZBQOSA-N 1 0 346.515 4.196 50 0 EIAARO O=C(Nc1cccc(F)c1)[C@H]1CC12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014995421 201947840 /nfs/dbraw/zinc/94/78/40/201947840.db2.gz OSHGBSDQLVGQEE-VQIMIIECSA-N 1 0 342.458 4.223 50 0 EIAARO COCCC[N@@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067491124 215154459 /nfs/dbraw/zinc/15/44/59/215154459.db2.gz KWJAZGRZRIBHDT-UHFFFAOYSA-N 1 0 347.462 4.138 50 0 EIAARO CC(C)Cc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCCCCC3)c2)n1 ZINC000019744253 202017993 /nfs/dbraw/zinc/01/79/93/202017993.db2.gz KUUDRNBYSMVEEL-UHFFFAOYSA-N 1 0 339.483 4.011 50 0 EIAARO c1ccc(CN2CC[NH+]([C@@H]3CCCSc4ccccc43)CC2)cc1 ZINC000019802139 202021771 /nfs/dbraw/zinc/02/17/71/202021771.db2.gz DWOMXKJFILUXON-HXUWFJFHSA-N 1 0 338.520 4.431 50 0 EIAARO CCc1cccc2c1Sc1ccccc1C[C@H]2[NH+]1CCN(C)CC1 ZINC000019802452 202022369 /nfs/dbraw/zinc/02/23/69/202022369.db2.gz LVLNODDWMIJOHQ-LJQANCHMSA-N 1 0 338.520 4.245 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(O)c(Cl)c1)[NH2+]CC2 ZINC000019848414 202024008 /nfs/dbraw/zinc/02/40/08/202024008.db2.gz KUYQOVPHRFCDKM-LJQANCHMSA-N 1 0 347.842 4.078 50 0 EIAARO Cc1ccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000019840756 202024038 /nfs/dbraw/zinc/02/40/38/202024038.db2.gz CRRWRRGTRDGUFJ-UHFFFAOYSA-N 1 0 346.474 4.495 50 0 EIAARO CC[NH+](CC)CCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000019872535 202024210 /nfs/dbraw/zinc/02/42/10/202024210.db2.gz NFDHQWVZZRYFDU-UHFFFAOYSA-N 1 0 336.863 4.040 50 0 EIAARO O[C@H](C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000019990582 202028716 /nfs/dbraw/zinc/02/87/16/202028716.db2.gz XPNTXPOZXFWYIQ-GOSISDBHSA-N 1 0 327.811 4.423 50 0 EIAARO O=C(NC1CC1)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000020239950 202037267 /nfs/dbraw/zinc/03/72/67/202037267.db2.gz IPCBAVIVKNTZHG-UHFFFAOYSA-N 1 0 348.490 4.034 50 0 EIAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020100360 202031644 /nfs/dbraw/zinc/03/16/44/202031644.db2.gz JFCPFCCBOBVKLN-UHFFFAOYSA-N 1 0 348.918 4.391 50 0 EIAARO C/C=C(\C)C(=O)Nc1ccccc1C[C@@H]1c2ccccc2CC[N@H+]1C ZINC000020412878 202042125 /nfs/dbraw/zinc/04/21/25/202042125.db2.gz MFIHINBTMKETRH-MYNVMIGVSA-N 1 0 334.463 4.363 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1Cl)[NH2+]CC2 ZINC000020506890 202046908 /nfs/dbraw/zinc/04/69/08/202046908.db2.gz LBGFRIPGHHILSE-LJQANCHMSA-N 1 0 331.843 4.373 50 0 EIAARO O=C(c1ccc(Cl)cc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170386 202062908 /nfs/dbraw/zinc/06/29/08/202062908.db2.gz LOYPXMYWNUQWTF-SFHVURJKSA-N 1 0 334.891 4.211 50 0 EIAARO Cc1ccc([C@@H](C)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)o1 ZINC000022077636 202078247 /nfs/dbraw/zinc/07/82/47/202078247.db2.gz NZBLGFWBINALSB-AIADIJKESA-N 1 0 338.495 4.413 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3cccc(F)c3)CC2)C1 ZINC000021718324 202070013 /nfs/dbraw/zinc/07/00/13/202070013.db2.gz WSWXLWGOPYIMPK-HOTGVXAUSA-N 1 0 347.478 4.048 50 0 EIAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000022926596 202094980 /nfs/dbraw/zinc/09/49/80/202094980.db2.gz MQMJHJBSJFAGNI-OAQYLSRUSA-N 1 0 348.494 4.049 50 0 EIAARO Fc1ccccc1-c1noc2c1C[N@@H+](C1Cc3ccccc3C1)CC2 ZINC000023129153 202099200 /nfs/dbraw/zinc/09/92/00/202099200.db2.gz VWHKVNCHFCUYJY-UHFFFAOYSA-N 1 0 334.394 4.006 50 0 EIAARO CC(C)(C)C[N@@H+]1CCC[C@@H]1c1ccc(C(=O)NCC(F)(F)F)s1 ZINC000023251056 202101054 /nfs/dbraw/zinc/10/10/54/202101054.db2.gz QZOBGVYNOOWBOS-LLVKDONJSA-N 1 0 348.434 4.223 50 0 EIAARO Cc1ccccc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000038584934 202141328 /nfs/dbraw/zinc/14/13/28/202141328.db2.gz LJYZDCPEJJZINQ-UHFFFAOYSA-N 1 0 343.496 4.090 50 0 EIAARO c1csc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000026304427 202141979 /nfs/dbraw/zinc/14/19/79/202141979.db2.gz VIGYFUHYPMQCOP-UHFFFAOYSA-N 1 0 346.459 4.286 50 0 EIAARO Cc1c(O)ccc2c(C[N@@H+](C)[C@@H](C)c3cccs3)cc(=O)oc12 ZINC000027554850 202155877 /nfs/dbraw/zinc/15/58/77/202155877.db2.gz GFDIADMBAODXEO-LBPRGKRZSA-N 1 0 329.421 4.062 50 0 EIAARO Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027581282 202158115 /nfs/dbraw/zinc/15/81/15/202158115.db2.gz SYJIIRMUXINVCN-LJQANCHMSA-N 1 0 342.870 4.215 50 0 EIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1Cl ZINC000028291977 202168828 /nfs/dbraw/zinc/16/88/28/202168828.db2.gz QXJFHYRHOQQAFI-LJQANCHMSA-N 1 0 342.870 4.297 50 0 EIAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc2ccccc21 ZINC000031565963 202206653 /nfs/dbraw/zinc/20/66/53/202206653.db2.gz FUBJWUGGYWTTHI-HXUWFJFHSA-N 1 0 344.458 4.234 50 0 EIAARO COc1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000031813209 202209088 /nfs/dbraw/zinc/20/90/88/202209088.db2.gz CQATYJFSTOXRAE-QFIPXVFZSA-N 1 0 347.414 4.303 50 0 EIAARO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@H](O)COCC(C)C ZINC000036104430 202316611 /nfs/dbraw/zinc/31/66/11/202316611.db2.gz HGLGIIGXLBHRNF-QFIPXVFZSA-N 1 0 341.495 4.031 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1 ZINC000036103884 202316775 /nfs/dbraw/zinc/31/67/75/202316775.db2.gz BGPYBWMZDQKAEE-FPOVZHCZSA-N 1 0 341.495 4.344 50 0 EIAARO CC(C)C[NH2+]Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1 ZINC000036154374 202317874 /nfs/dbraw/zinc/31/78/74/202317874.db2.gz IGVMKOYZZLASBP-UHFFFAOYSA-N 1 0 347.871 4.051 50 0 EIAARO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037559815 202346529 /nfs/dbraw/zinc/34/65/29/202346529.db2.gz DFYGHECHRVQDKD-UHFFFAOYSA-N 1 0 336.479 4.403 50 0 EIAARO O=C1OC[C@H](C[NH2+]C2CCCCC2)C1(c1ccccc1)c1ccccc1 ZINC000039304783 202411819 /nfs/dbraw/zinc/41/18/19/202411819.db2.gz YFCLRZJYPZKELV-FQEVSTJZSA-N 1 0 349.474 4.068 50 0 EIAARO O=c1c2ccc(OCC[NH+]3CCCCC3)cc2occ1-c1ccccc1 ZINC000006719803 201362869 /nfs/dbraw/zinc/36/28/69/201362869.db2.gz RSGALRQARGWNAU-UHFFFAOYSA-N 1 0 349.430 4.325 50 0 biogenic EIAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)/C=C\c1cccs1 ZINC000096102431 201374347 /nfs/dbraw/zinc/37/43/47/201374347.db2.gz AWRODFTUHOHKFD-KTKRTIGZSA-N 1 0 348.899 4.005 50 0 EIAARO Clc1ccc(CC[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000023283237 212366135 /nfs/dbraw/zinc/36/61/35/212366135.db2.gz HUAFUIWPRMNURT-UHFFFAOYSA-N 1 0 342.914 4.179 50 0 EIAARO CCCCN(C)C(=O)c1cc2sc(C)c(C[NH+]3CCCC3)c2[nH]1 ZINC000075487341 216623678 /nfs/dbraw/zinc/62/36/78/216623678.db2.gz CAPDKWOAKBNDNY-UHFFFAOYSA-N 1 0 333.501 4.006 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000230155245 242239666 /nfs/dbraw/zinc/23/96/66/242239666.db2.gz DAPGXQOUCOUGBX-MSOLQXFVSA-N 1 0 329.488 4.113 50 0 EIAARO CCCC[NH+](CCCC)CCCOC(=O)c1c(C)cc(N)cc1C ZINC000002187191 201526495 /nfs/dbraw/zinc/52/64/95/201526495.db2.gz WBGQTYLORKRCIF-UHFFFAOYSA-N 1 0 334.504 4.335 50 0 EIAARO Clc1cc(C[NH+]2CCCC2)ccc1Oc1ccc2c(c1)OCCO2 ZINC000067642181 202922200 /nfs/dbraw/zinc/92/22/00/202922200.db2.gz MXZZJEKVHKCELH-UHFFFAOYSA-N 1 0 345.826 4.499 50 0 EIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1cccc(C)c1 ZINC000069460719 203005158 /nfs/dbraw/zinc/00/51/58/203005158.db2.gz MZPWVJJAXPBTKB-AZUAARDMSA-N 1 0 335.451 4.143 50 0 EIAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000090728956 203009912 /nfs/dbraw/zinc/00/99/12/203009912.db2.gz MLUPXVFQTVBHNU-KGLIPLIRSA-N 1 0 338.455 4.240 50 0 EIAARO Cc1cc(O)cc(C)c1C[N@@H+]1CCO[C@@H](CCCc2ccccc2)C1 ZINC000071752448 203108155 /nfs/dbraw/zinc/10/81/55/203108155.db2.gz GPTTYTSDANMALE-NRFANRHFSA-N 1 0 339.479 4.233 50 0 EIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)NCCC1=CCCCC1 ZINC000071858501 203129915 /nfs/dbraw/zinc/12/99/15/203129915.db2.gz KCRLKZUQZXGLEJ-UHFFFAOYSA-N 1 0 343.515 4.218 50 0 EIAARO Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000072117891 203164319 /nfs/dbraw/zinc/16/43/19/203164319.db2.gz LDLNJMNWLDYOHO-UHFFFAOYSA-N 1 0 338.451 4.029 50 0 EIAARO CC(C)Cc1ccc(C[N@@H+]2CCCN(Cc3ccncc3)CC2)s1 ZINC000072153552 203175296 /nfs/dbraw/zinc/17/52/96/203175296.db2.gz VDJWYBZRTMQJEO-UHFFFAOYSA-N 1 0 343.540 4.050 50 0 EIAARO Cc1cc(Cl)cc(Cl)c1OCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020167296 212108539 /nfs/dbraw/zinc/10/85/39/212108539.db2.gz PSZZCODPUZXXGE-CHWSQXEVSA-N 1 0 332.271 4.180 50 0 EIAARO Clc1ccccc1C1(c2ccnc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000072463853 203229569 /nfs/dbraw/zinc/22/95/69/203229569.db2.gz DMQQGLJQVCHIOS-UHFFFAOYSA-N 1 0 349.865 4.467 50 0 EIAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000072475754 203232111 /nfs/dbraw/zinc/23/21/11/203232111.db2.gz PMNVVXVETCVCGR-SFHVURJKSA-N 1 0 339.464 4.484 50 0 EIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000072480984 203233051 /nfs/dbraw/zinc/23/30/51/203233051.db2.gz LGRFNPSVXWLGEP-OAQYLSRUSA-N 1 0 346.474 4.475 50 0 EIAARO CC[N@H+](Cc1c[nH]nc1-c1cc2ccccc2o1)Cc1ccncc1 ZINC000072417964 203218482 /nfs/dbraw/zinc/21/84/82/203218482.db2.gz HWSUHOLSRMGHBO-UHFFFAOYSA-N 1 0 332.407 4.240 50 0 EIAARO COc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000072428515 203223126 /nfs/dbraw/zinc/22/31/26/203223126.db2.gz HORHKTWQYNFVNZ-AWEZNQCLSA-N 1 0 335.806 4.183 50 0 EIAARO CC(C)CC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C(C)C ZINC000075330282 203312970 /nfs/dbraw/zinc/31/29/70/203312970.db2.gz ABARANGEDWNHAT-UHFFFAOYSA-N 1 0 342.487 4.198 50 0 EIAARO CN(C)c1ccccc1C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000076020655 203332336 /nfs/dbraw/zinc/33/23/36/203332336.db2.gz SOYCJLSRAFEXOS-UHFFFAOYSA-N 1 0 347.462 4.016 50 0 EIAARO Cc1occc1C(=O)N1CCCC[C@@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077418956 203387216 /nfs/dbraw/zinc/38/72/16/203387216.db2.gz FFRLTCZZMVAVJH-LJQANCHMSA-N 1 0 326.440 4.017 50 0 EIAARO Fc1ccc2nc(CN3CCCC[C@@H]3CC[NH+]3CCCC3)ccc2c1 ZINC000077470867 203390471 /nfs/dbraw/zinc/39/04/71/203390471.db2.gz CTTWJLSHUFTWHK-HXUWFJFHSA-N 1 0 341.474 4.214 50 0 EIAARO FC(F)(F)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019536498 212040063 /nfs/dbraw/zinc/04/00/63/212040063.db2.gz JINROPLQDDLDDV-UHFFFAOYSA-N 1 0 334.385 4.023 50 0 EIAARO OC[C@H]1C=C[C@@H]([NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2Cl)C1 ZINC000095450958 203745561 /nfs/dbraw/zinc/74/55/61/203745561.db2.gz RAFJESXRQFELGG-XAUMDUMWSA-N 1 0 345.845 4.290 50 0 EIAARO CCc1noc(C2CCC([NH2+][C@@H]3C[C@H](C)c4ccccc43)CC2)n1 ZINC000095996911 203791554 /nfs/dbraw/zinc/79/15/54/203791554.db2.gz DXZNTCNRZUVPMM-FAYHIZQSSA-N 1 0 325.456 4.496 50 0 EIAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000107142117 204225797 /nfs/dbraw/zinc/22/57/97/204225797.db2.gz QLPZJFPABJLGHL-ZENOOKHLSA-N 1 0 342.405 4.003 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000045822182 204332717 /nfs/dbraw/zinc/33/27/17/204332717.db2.gz UAALOHNFINEOEM-LBPRGKRZSA-N 1 0 330.378 4.164 50 0 EIAARO CC1(C)C[C@@](CC[NH2+]Cc2ccc(O)cc2)(c2ccccc2)CCO1 ZINC000002478709 205620373 /nfs/dbraw/zinc/62/03/73/205620373.db2.gz SUYSFVCOGZNFRU-QFIPXVFZSA-N 1 0 339.479 4.399 50 0 biogenic EIAARO CCN(CC)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008717366 205858023 /nfs/dbraw/zinc/85/80/23/205858023.db2.gz GRICOGBHJODKFU-HNNXBMFYSA-N 1 0 341.499 4.469 50 0 EIAARO CC[NH2+]Cc1ccccc1NC(=O)Cc1cc(Cl)ccc1Cl ZINC000170048090 206569036 /nfs/dbraw/zinc/56/90/36/206569036.db2.gz YESWYSDGJBGZIZ-UHFFFAOYSA-N 1 0 337.250 4.284 50 0 EIAARO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415515 218354289 /nfs/dbraw/zinc/35/42/89/218354289.db2.gz YONQPRWQZVVPFK-MRXNPFEDSA-N 1 0 330.453 4.033 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccccc2-c2ccccc2)C1 ZINC000012420053 207143012 /nfs/dbraw/zinc/14/30/12/207143012.db2.gz ABPFCTGMKMWQTL-QWFCFKBJSA-N 1 0 339.479 4.071 50 0 EIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc2ccccc2o1 ZINC000013305630 207380879 /nfs/dbraw/zinc/38/08/79/207380879.db2.gz NTQOHBOQTGDRHH-PKOBYXMFSA-N 1 0 346.430 4.189 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000013305018 207382498 /nfs/dbraw/zinc/38/24/98/207382498.db2.gz LECIWVMMBWBHEY-KKEHIWFPSA-N 1 0 349.559 4.233 50 0 EIAARO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000096477592 218853929 /nfs/dbraw/zinc/85/39/29/218853929.db2.gz XKJGTGKOJDMYJT-KGLIPLIRSA-N 1 0 348.487 4.260 50 0 EIAARO CC(C)(C)OC(=O)Nc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000097232002 219000300 /nfs/dbraw/zinc/00/03/00/219000300.db2.gz MJNSRTOJKIISKU-DLBZAZTESA-N 1 0 331.460 4.072 50 0 EIAARO C(=Cc1ccccc1)c1nn(Cc2ccccc2)c[n+]1-c1ccccc1 ZINC000004774854 210275630 /nfs/dbraw/zinc/27/56/30/210275630.db2.gz LGJCQNGHOVYRLE-WUKNDPDISA-N 1 0 338.434 4.379 50 0 EIAARO Cn1c2ccc(CNC(=O)c3ccc(Cl)s3)cc2nc1C1CC1 ZINC000328590150 258044097 /nfs/dbraw/zinc/04/40/97/258044097.db2.gz VNQCRSKAYWFBKT-UHFFFAOYSA-N 1 0 345.855 4.096 50 0 EIAARO COc1cc(/C=C/C[N@H+]2Cc3cc(C)ccc3O[C@@H](C)C2)ccc1O ZINC000299766054 258080690 /nfs/dbraw/zinc/08/06/90/258080690.db2.gz BGHCPERJPRUUQD-APHBUQMISA-N 1 0 339.435 4.006 50 0 EIAARO CCC[C@@H](C)[NH2+]C1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 ZINC000063855969 132806247 /nfs/dbraw/zinc/80/62/47/132806247.db2.gz GESVFJUFKRFAAI-MRXNPFEDSA-N 1 0 338.499 4.199 50 0 EIAARO CCC[NH+](CCC)CCCOC(=O)c1ccccc1Br ZINC000004438487 563707414 /nfs/dbraw/zinc/70/74/14/563707414.db2.gz NTIAUXFNZFCUGM-UHFFFAOYSA-N 1 0 342.277 4.118 50 0 EIAARO CC(C)c1cc(Br)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770428 563924847 /nfs/dbraw/zinc/92/48/47/563924847.db2.gz QTMKXLCAEVNSRG-CQSZACIVSA-N 1 0 326.278 4.484 50 0 EIAARO CC(C)c1ccc(OCC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770508 563924855 /nfs/dbraw/zinc/92/48/55/563924855.db2.gz ISNDPKRQNMFLNW-CQSZACIVSA-N 1 0 326.278 4.484 50 0 EIAARO CC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000004833696 563512195 /nfs/dbraw/zinc/51/21/95/563512195.db2.gz TZDKZTJKHMUBFV-OAHLLOKOSA-N 1 0 346.298 4.388 50 0 EIAARO COc1cccc(C[NH+]2CCC(Cc3ccccc3)CC2)c1OC ZINC000000200866 563258755 /nfs/dbraw/zinc/25/87/55/563258755.db2.gz ICSWXCWGYZOWJM-UHFFFAOYSA-N 1 0 325.452 4.159 50 0 EIAARO COc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)cc(OC)c1 ZINC000000210773 563260768 /nfs/dbraw/zinc/26/07/68/563260768.db2.gz SRVZPPIINGSGSD-UHFFFAOYSA-N 1 0 325.452 4.159 50 0 EIAARO O=C(CC[NH+]1CCCCC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000000267004 563268840 /nfs/dbraw/zinc/26/88/40/563268840.db2.gz LLYHDSPWMGIYJU-UHFFFAOYSA-N 1 0 338.451 4.080 50 0 EIAARO CCCC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000002181881 563425491 /nfs/dbraw/zinc/42/54/91/563425491.db2.gz QSXOKLGLJHHQFB-UHFFFAOYSA-N 1 0 334.847 4.212 50 0 EIAARO OCC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000002365367 563430547 /nfs/dbraw/zinc/43/05/47/563430547.db2.gz WHNXQKIPNNLBQD-UHFFFAOYSA-N 1 0 341.838 4.154 50 0 EIAARO O=C(c1ccc(Br)cc1)c1ccccc1C[NH+]1CCCC1 ZINC000002515557 563437177 /nfs/dbraw/zinc/43/71/77/563437177.db2.gz USHLIQFILLKWRI-UHFFFAOYSA-N 1 0 344.252 4.276 50 0 EIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCCc1ccccc1 ZINC000004942978 563515818 /nfs/dbraw/zinc/51/58/18/563515818.db2.gz ZZNNMBUFLHUVQO-UHFFFAOYSA-N 1 0 348.446 4.002 50 0 EIAARO Cc1ccc(NC(=O)CC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004978420 563516606 /nfs/dbraw/zinc/51/66/06/563516606.db2.gz SGSVTCJUBQIDLH-UHFFFAOYSA-N 1 0 336.479 4.278 50 0 EIAARO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C(C)(C)C)c1ccccc1 ZINC000005073882 563520875 /nfs/dbraw/zinc/52/08/75/563520875.db2.gz QCDAHAHOFXFTEW-AEFFLSMTSA-N 1 0 327.468 4.075 50 0 EIAARO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000035335378 563560384 /nfs/dbraw/zinc/56/03/84/563560384.db2.gz IEUBBLOCLWLOKT-ZDUSSCGKSA-N 1 0 334.257 4.179 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@@H]2CCCCO2)cc1C ZINC000011663768 563650375 /nfs/dbraw/zinc/65/03/75/563650375.db2.gz XMWAPFUIXRKGLC-IBGZPJMESA-N 1 0 327.472 4.085 50 0 EIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+]([C@@H](C)CSC)CC1 ZINC000012023454 563652668 /nfs/dbraw/zinc/65/26/68/563652668.db2.gz BMTXMHDMHDVELH-KRWDZBQOSA-N 1 0 349.540 4.016 50 0 EIAARO Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)n1 ZINC000012206979 563656138 /nfs/dbraw/zinc/65/61/38/563656138.db2.gz AYBYXNMCZRGXGZ-MRXNPFEDSA-N 1 0 342.870 4.447 50 0 EIAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)c1 ZINC000012226670 563656636 /nfs/dbraw/zinc/65/66/36/563656636.db2.gz RNLCMDYIFTZQMB-QFIPXVFZSA-N 1 0 341.470 4.260 50 0 EIAARO COc1cccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)c1 ZINC000012457901 563661236 /nfs/dbraw/zinc/66/12/36/563661236.db2.gz PTTVNFBUYDNYSE-CQSZACIVSA-N 1 0 339.414 4.179 50 0 EIAARO COc1ccc(OC)c(-c2nc(C[N@@H+]3C[C@H]4C[C@@H]3CCC4)c(C)o2)c1 ZINC000012571500 563663359 /nfs/dbraw/zinc/66/33/59/563663359.db2.gz YSRHXKBPRXWASF-CABCVRRESA-N 1 0 342.439 4.042 50 0 EIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000012584549 563663868 /nfs/dbraw/zinc/66/38/68/563663868.db2.gz MDQMBLZIWDVTHT-OAQYLSRUSA-N 1 0 327.443 4.033 50 0 EIAARO COc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(C)cc2)cc1Cl ZINC000013133143 563690569 /nfs/dbraw/zinc/69/05/69/563690569.db2.gz GJASQCPZJSUPBP-IRXDYDNUSA-N 1 0 343.854 4.185 50 0 EIAARO CC(C)C[NH+]1CCC(Nc2ncnc3sc4c(c32)CCCC4)CC1 ZINC000014247162 563755063 /nfs/dbraw/zinc/75/50/63/563755063.db2.gz NBPWXXQZFMVDGD-UHFFFAOYSA-N 1 0 344.528 4.102 50 0 EIAARO c1cc([C@H]2CCC[N@@H+](Cc3ccc(OCc4ccccc4)cc3)C2)n[nH]1 ZINC000014989173 563770495 /nfs/dbraw/zinc/77/04/95/563770495.db2.gz XPSYTHXOYVBZCF-FQEVSTJZSA-N 1 0 347.462 4.368 50 0 EIAARO CCn1cc(C[N@H+]2Cc3ccccc3O[C@H](c3ccccc3)C2)c(C)n1 ZINC000014993314 563771109 /nfs/dbraw/zinc/77/11/09/563771109.db2.gz FCZFQXHWQOBTHG-QFIPXVFZSA-N 1 0 347.462 4.347 50 0 EIAARO C[N@H+](CC(=O)NCCC1=CCCCC1)[C@H]1CCCc2ccccc21 ZINC000015261675 563780767 /nfs/dbraw/zinc/78/07/67/563780767.db2.gz GHJBLJSCXHLLLE-FQEVSTJZSA-N 1 0 326.484 4.003 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860272 563797029 /nfs/dbraw/zinc/79/70/29/563797029.db2.gz MDYBOYSXIKVSHQ-LJQANCHMSA-N 1 0 340.467 4.099 50 0 EIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C)[nH]c2ccccc21 ZINC000016140495 563804771 /nfs/dbraw/zinc/80/47/71/563804771.db2.gz YZVHQLYMPHQFAQ-UHFFFAOYSA-N 1 0 349.478 4.248 50 0 EIAARO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016607071 563817349 /nfs/dbraw/zinc/81/73/49/563817349.db2.gz FFNYDMWGIIEMOV-UHFFFAOYSA-N 1 0 328.843 4.191 50 0 EIAARO Fc1cc(C[NH+]2CCCCC2)c2c(c1)CO[C@@H](c1ccccc1)O2 ZINC000016699006 563821505 /nfs/dbraw/zinc/82/15/05/563821505.db2.gz BICCBKXFTNQVHV-HXUWFJFHSA-N 1 0 327.399 4.419 50 0 EIAARO CCC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000025562295 563886110 /nfs/dbraw/zinc/88/61/10/563886110.db2.gz JUSYZCSBLWQLDA-IAGOWNOFSA-N 1 0 330.497 4.051 50 0 EIAARO C[NH+](C)Cc1ccccc1CNC(=O)Nc1cccc2ccccc21 ZINC000011006079 563891452 /nfs/dbraw/zinc/89/14/52/563891452.db2.gz GTLDGOCCLKMTEG-UHFFFAOYSA-N 1 0 333.435 4.223 50 0 EIAARO Fc1ccc(F)c(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c1 ZINC000039769834 563922665 /nfs/dbraw/zinc/92/26/65/563922665.db2.gz RBMDUBBCLOBBET-UXHICEINSA-N 1 0 334.454 4.194 50 0 EIAARO Brc1ccc(O[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042774888 563925049 /nfs/dbraw/zinc/92/50/49/563925049.db2.gz HGLJJCMVUQGTFT-OAHLLOKOSA-N 1 0 332.241 4.247 50 0 EIAARO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044933445 563928398 /nfs/dbraw/zinc/92/83/98/563928398.db2.gz HLRUYZKEMHHGNX-GOSISDBHSA-N 1 0 336.479 4.084 50 0 EIAARO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044932985 563928431 /nfs/dbraw/zinc/92/84/31/563928431.db2.gz UNKWLUYKBRHNMK-QFIPXVFZSA-N 1 0 348.490 4.092 50 0 EIAARO Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C[NH+]2CCCCC2)cc1 ZINC000072314651 563930721 /nfs/dbraw/zinc/93/07/21/563930721.db2.gz QTMNSHOHRLUUSD-UHFFFAOYSA-N 1 0 332.447 4.489 50 0 EIAARO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1ccccc1-c1ccccc1 ZINC000057999653 563936397 /nfs/dbraw/zinc/93/63/97/563936397.db2.gz SXLVYUACAHVWNQ-UHFFFAOYSA-N 1 0 334.394 4.221 50 0 EIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Cl)cc1 ZINC000058563830 563946811 /nfs/dbraw/zinc/94/68/11/563946811.db2.gz ZTTLUDKOIBEDKQ-RTBURBONSA-N 1 0 331.843 4.219 50 0 EIAARO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CCCCCCC1 ZINC000059849680 563949415 /nfs/dbraw/zinc/94/94/15/563949415.db2.gz ZLNGWCQUAQAVQQ-UHFFFAOYSA-N 1 0 349.494 4.012 50 0 EIAARO Cc1ccc(C[NH+]2CCC(OCc3cccnc3)CC2)c(C)c1F ZINC000067675389 563962475 /nfs/dbraw/zinc/96/24/75/563962475.db2.gz CZMZVAHCMWAWCV-UHFFFAOYSA-N 1 0 328.431 4.019 50 0 EIAARO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@@H+](C1CCCC1)C2 ZINC000067975047 563963125 /nfs/dbraw/zinc/96/31/25/563963125.db2.gz AZTLGOCVTIBNEK-UHFFFAOYSA-N 1 0 344.842 4.245 50 0 EIAARO COc1ccc(-c2c[nH+]c(NCc3ccc(SC)cc3)n2C)cc1 ZINC000004678481 563963739 /nfs/dbraw/zinc/96/37/39/563963739.db2.gz OXDGMJZQFZAHBG-UHFFFAOYSA-N 1 0 339.464 4.430 50 0 EIAARO COc1cccc(-c2c[nH+]c(NCc3ccc(Cl)cc3)n2C)c1 ZINC000004678359 563963780 /nfs/dbraw/zinc/96/37/80/563963780.db2.gz DKYAXAQRFSFVFL-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO COc1ccc(-c2c[nH+]c(NCc3ccccc3Cl)n2C)cc1 ZINC000004678615 563963852 /nfs/dbraw/zinc/96/38/52/563963852.db2.gz ZOCVIXUBTBSUFC-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO CCn1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000097032873 563966836 /nfs/dbraw/zinc/96/68/36/563966836.db2.gz AJERHQAKKGVZLF-LSDHHAIUSA-N 1 0 325.431 4.477 50 0 EIAARO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000097162454 563968453 /nfs/dbraw/zinc/96/84/53/563968453.db2.gz NTNPVXVTTRAYEL-RISCZKNCSA-N 1 0 340.254 4.082 50 0 EIAARO CC[NH2+]Cc1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000097019500 563971054 /nfs/dbraw/zinc/97/10/54/563971054.db2.gz IZYPKQHFFXZDLQ-UHFFFAOYSA-N 1 0 341.213 4.494 50 0 EIAARO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000585134812 563971834 /nfs/dbraw/zinc/97/18/34/563971834.db2.gz KOGXGQFSUDCGIM-QFBILLFUSA-N 1 0 336.435 4.158 50 0 EIAARO Cc1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)cc[nH+]1 ZINC000082106311 563972249 /nfs/dbraw/zinc/97/22/49/563972249.db2.gz GODVZDZFJQWHGL-IBGZPJMESA-N 1 0 332.451 4.019 50 0 EIAARO CCC[C@@H]1CN(C(=O)Nc2cccc(Cl)c2Cl)C[C@H]1[NH+](C)C ZINC000082109086 563972353 /nfs/dbraw/zinc/97/23/53/563972353.db2.gz BKOTUAKAVRJRFH-BXUZGUMPSA-N 1 0 344.286 4.187 50 0 EIAARO O[C@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)Cc2ccccc21 ZINC000082127235 563972575 /nfs/dbraw/zinc/97/25/75/563972575.db2.gz GPPYDZMJBMXQNQ-QHCPKHFHSA-N 1 0 327.427 4.307 50 0 EIAARO COc1ccc([C@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000004772783 563974055 /nfs/dbraw/zinc/97/40/55/563974055.db2.gz MYLHJWVTMYGUNH-RXVVDRJESA-N 1 0 343.442 4.137 50 0 EIAARO OCc1cccc(C[C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)c1 ZINC000091625225 563975598 /nfs/dbraw/zinc/97/55/98/563975598.db2.gz YWGAHQYAZYFHGB-OAHLLOKOSA-N 1 0 333.834 4.036 50 0 EIAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3nccs3)CC2)C1 ZINC000091713227 563975705 /nfs/dbraw/zinc/97/57/05/563975705.db2.gz GVEPMESUUMRNRB-GOSISDBHSA-N 1 0 341.524 4.239 50 0 EIAARO Cc1c(C(=O)N(C)CC[C@H](C)[NH+]2CCCC2)[nH]c2c1c(C)ccc2C ZINC000091695443 563975727 /nfs/dbraw/zinc/97/57/27/563975727.db2.gz HOCXGCVZFARXDG-INIZCTEOSA-N 1 0 341.499 4.040 50 0 EIAARO COCCOC1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000093339529 563976361 /nfs/dbraw/zinc/97/63/61/563976361.db2.gz BEYIJKWPVPZAMT-UHFFFAOYSA-N 1 0 331.481 4.043 50 0 EIAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000095358403 563976767 /nfs/dbraw/zinc/97/67/67/563976767.db2.gz XMWWZUTZKILZME-INIZCTEOSA-N 1 0 349.425 4.445 50 0 EIAARO Cc1ccc([C@@H]2CN(Cc3ccc(F)cc3Cl)C[C@H]2[NH+](C)C)cc1 ZINC000095497148 563976992 /nfs/dbraw/zinc/97/69/92/563976992.db2.gz IJTXOTJFNVHVAI-AZUAARDMSA-N 1 0 346.877 4.317 50 0 EIAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000072299742 563981833 /nfs/dbraw/zinc/98/18/33/563981833.db2.gz PSAMANHUXSNCAO-XGINMYPSSA-N 1 0 347.890 4.119 50 0 EIAARO O=C(NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1)c1cccs1 ZINC000011661812 563982243 /nfs/dbraw/zinc/98/22/43/563982243.db2.gz HBSBGCUPXKMGFX-QGZVFWFLSA-N 1 0 334.529 4.160 50 0 EIAARO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2CCC3)cc1 ZINC000000113738 563986657 /nfs/dbraw/zinc/98/66/57/563986657.db2.gz OIZBXXINJIVFKO-LJQANCHMSA-N 1 0 348.837 4.347 50 0 EIAARO Nc1c2c([nH+]c3ccc(Br)cc13)N(C1CCCCC1)CC2 ZINC000000198578 563988283 /nfs/dbraw/zinc/98/82/83/563988283.db2.gz BMOFDWJMFBXXDG-UHFFFAOYSA-N 1 0 346.272 4.275 50 0 EIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)c(C)c1 ZINC000000217082 563988692 /nfs/dbraw/zinc/98/86/92/563988692.db2.gz VHTGDWPHWBLKIS-UHFFFAOYSA-N 1 0 347.553 4.126 50 0 EIAARO CCc1ccccc1NC(=S)N(CC[NH+](C)C)[C@H](C)c1ccco1 ZINC000000263790 563989823 /nfs/dbraw/zinc/98/98/23/563989823.db2.gz PLUVEORYWCKIHC-OAHLLOKOSA-N 1 0 345.512 4.164 50 0 EIAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1Cl ZINC000257365618 563993341 /nfs/dbraw/zinc/99/33/41/563993341.db2.gz ZEDIJIINKPYJJO-KPAZRMRSSA-N 1 0 347.890 4.119 50 0 EIAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccc1Cl ZINC000257365619 563993386 /nfs/dbraw/zinc/99/33/86/563993386.db2.gz ZEDIJIINKPYJJO-XFHNUULXSA-N 1 0 347.890 4.119 50 0 EIAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1Cl ZINC000005005601 563993772 /nfs/dbraw/zinc/99/37/72/563993772.db2.gz CCLSTXKOTBCBIO-BLLLJJGKSA-N 1 0 342.266 4.415 50 0 biogenic EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1C)c1ccccc1Cl ZINC000011917293 563995485 /nfs/dbraw/zinc/99/54/85/563995485.db2.gz JJJHCRARSUKCDM-IBGZPJMESA-N 1 0 344.886 4.461 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)cc1)c1ccccc1Cl ZINC000011915220 563995501 /nfs/dbraw/zinc/99/55/01/563995501.db2.gz WCGISJPXWBLSRD-IBGZPJMESA-N 1 0 344.886 4.461 50 0 EIAARO CCC[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000252671904 563998103 /nfs/dbraw/zinc/99/81/03/563998103.db2.gz ONZUQFBMUYPLNC-DFQSSKMNSA-N 1 0 342.458 4.399 50 0 EIAARO CCOc1ccc(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)cc1 ZINC000078725066 564000901 /nfs/dbraw/zinc/00/09/01/564000901.db2.gz DNESPELDLGHKMY-QGZVFWFLSA-N 1 0 326.484 4.304 50 0 EIAARO Clc1ccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)c(Cl)c1 ZINC000005578061 564005829 /nfs/dbraw/zinc/00/58/29/564005829.db2.gz OOFGOWHAAIJFTN-NSHDSACASA-N 1 0 330.240 4.093 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cnc2ccsc2c1 ZINC000110704145 564025975 /nfs/dbraw/zinc/02/59/75/564025975.db2.gz JYHJNCFERKXGDJ-QEORTHHSSA-N 1 0 334.510 4.002 50 0 EIAARO Cc1sc2nc(CN(C)Cc3cccc(Cl)c3)nc(N)c2c1C ZINC000024831640 564036718 /nfs/dbraw/zinc/03/67/18/564036718.db2.gz DGTRLEOEKNOHDI-UHFFFAOYSA-N 1 0 346.887 4.176 50 0 EIAARO COC(=O)CC1(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000225635985 564048750 /nfs/dbraw/zinc/04/87/50/564048750.db2.gz GIHBHPMLDRUYDI-QGZVFWFLSA-N 1 0 347.505 4.100 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCCCCC2)c2c1cccc2Cl ZINC000012421935 564051237 /nfs/dbraw/zinc/05/12/37/564051237.db2.gz MIAUFAILCWBVSD-MRXNPFEDSA-N 1 0 334.891 4.148 50 0 EIAARO COc1cccc([C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)N2CCCC2)c1 ZINC000240412853 564051768 /nfs/dbraw/zinc/05/17/68/564051768.db2.gz FOIMWMIQNOVCHL-QFIPXVFZSA-N 1 0 349.478 4.103 50 0 EIAARO CC[C@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000244724719 564052274 /nfs/dbraw/zinc/05/22/74/564052274.db2.gz MZISUTXIQPSZAE-QGZVFWFLSA-N 1 0 349.837 4.286 50 0 EIAARO CC[C@@H](CO)[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248149894 564053024 /nfs/dbraw/zinc/05/30/24/564053024.db2.gz GRWGPVPSTRZJNI-SFHVURJKSA-N 1 0 342.870 4.204 50 0 EIAARO CCC(CC)[NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003291320 564059099 /nfs/dbraw/zinc/05/90/99/564059099.db2.gz QPEYFBYBCVJYTP-UHFFFAOYSA-N 1 0 340.423 4.311 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000003304504 564059136 /nfs/dbraw/zinc/05/91/36/564059136.db2.gz YJNUSYXLPUIDNG-IAGOWNOFSA-N 1 0 338.451 4.395 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl ZINC000012553157 564059225 /nfs/dbraw/zinc/05/92/25/564059225.db2.gz DZPQCKKIYSLPAB-BDJLRTHQSA-N 1 0 332.806 4.083 50 0 EIAARO O=C(Nc1ccc(Cl)cc1F)c1ccc(C[NH+]2CCCC2)cc1 ZINC000012731819 564064241 /nfs/dbraw/zinc/06/42/41/564064241.db2.gz UVXYSUUDCZEANS-UHFFFAOYSA-N 1 0 332.806 4.327 50 0 EIAARO O[C@@H]1CCC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000084392877 564068013 /nfs/dbraw/zinc/06/80/13/564068013.db2.gz FVOKCGBYNZRHBD-HXUWFJFHSA-N 1 0 345.433 4.334 50 0 EIAARO Cc1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012809878 564072538 /nfs/dbraw/zinc/07/25/38/564072538.db2.gz IUPMUJYWPGJCSN-XLIONFOSSA-N 1 0 337.467 4.342 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000015836760 564076410 /nfs/dbraw/zinc/07/64/10/564076410.db2.gz LVWAISJYXMWFBO-SFHVURJKSA-N 1 0 341.451 4.358 50 0 EIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(OC)cc(OC)c2)cc1 ZINC000015837015 564076463 /nfs/dbraw/zinc/07/64/63/564076463.db2.gz YLUSHJIZVNEBMG-HXUWFJFHSA-N 1 0 327.424 4.050 50 0 EIAARO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cc2c(s1)CCCC2 ZINC000075106140 564080108 /nfs/dbraw/zinc/08/01/08/564080108.db2.gz KHLKMRRTTPCIMB-UHFFFAOYSA-N 1 0 346.540 4.154 50 0 EIAARO O=C(Cc1ccsc1)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575621496 564083980 /nfs/dbraw/zinc/08/39/80/564083980.db2.gz XMBNSYRYSMRMMQ-UHFFFAOYSA-N 1 0 337.448 4.129 50 0 EIAARO C[N@H+](Cc1cc(Cl)ccc1OCc1cccnc1)[C@H]1CCSC1 ZINC000089350814 564089771 /nfs/dbraw/zinc/08/97/71/564089771.db2.gz SMPLVCOKMGRLMO-KRWDZBQOSA-N 1 0 348.899 4.251 50 0 EIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192039141 564089960 /nfs/dbraw/zinc/08/99/60/564089960.db2.gz XVJJJZCOPNLOHE-PBEJRMEISA-N 1 0 325.452 4.081 50 0 EIAARO C[C@@H](c1ccc(-c2ccc3c(c2)NC(=O)CO3)cc1)[NH+]1CCCCC1 ZINC000426409413 564093634 /nfs/dbraw/zinc/09/36/34/564093634.db2.gz OHWUEFFSZXPHBJ-HNNXBMFYSA-N 1 0 336.435 4.231 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000006638942 564094760 /nfs/dbraw/zinc/09/47/60/564094760.db2.gz YDTGXDPVOVASKX-ACJLOTCBSA-N 1 0 328.843 4.334 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COc1ccccc1 ZINC000169677121 564098047 /nfs/dbraw/zinc/09/80/47/564098047.db2.gz LQUBNQCYDCZJPU-TZIWHRDSSA-N 1 0 341.495 4.344 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1 ZINC000169677135 564098049 /nfs/dbraw/zinc/09/80/49/564098049.db2.gz XHPGQVSCFQFLCZ-AZUAARDMSA-N 1 0 327.468 4.035 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1 ZINC000169681584 564098230 /nfs/dbraw/zinc/09/82/30/564098230.db2.gz BGPYBWMZDQKAEE-TZIWHRDSSA-N 1 0 341.495 4.344 50 0 EIAARO c1ccc2c(c1)cccc2OCCN1CCC([NH+]2CCCCC2)CC1 ZINC000065041109 564100047 /nfs/dbraw/zinc/10/00/47/564100047.db2.gz KMQDMJOJAYXPSQ-UHFFFAOYSA-N 1 0 338.495 4.169 50 0 EIAARO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCCCCC2)c1 ZINC000007378017 564107120 /nfs/dbraw/zinc/10/71/20/564107120.db2.gz DQJVRYCGZZNIJA-FQEVSTJZSA-N 1 0 338.451 4.251 50 0 EIAARO CCOC(=O)NC1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000065534647 564107226 /nfs/dbraw/zinc/10/72/26/564107226.db2.gz PFQBNIFDXZTVJV-HNNXBMFYSA-N 1 0 326.440 4.111 50 0 EIAARO Cc1cc(C)cc(-c2ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc2)c1 ZINC000170595420 564109016 /nfs/dbraw/zinc/10/90/16/564109016.db2.gz LAHHCWBAVPALSR-SBUREZEXSA-N 1 0 329.509 4.169 50 0 EIAARO CC(C)(C)C1CCC2(CC1)NCC[NH+]=C2NCc1ccc(Cl)cc1 ZINC000042218685 564110786 /nfs/dbraw/zinc/11/07/86/564110786.db2.gz OWGCEQUGAWTBDZ-UHFFFAOYSA-N 1 0 347.934 4.406 50 0 biogenic EIAARO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000013323147 564111486 /nfs/dbraw/zinc/11/14/86/564111486.db2.gz KXGBTFHDEVFSQZ-RBUKOAKNSA-N 1 0 338.495 4.448 50 0 EIAARO CC(=O)Nc1cc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1F ZINC000089785057 564113787 /nfs/dbraw/zinc/11/37/87/564113787.db2.gz DDCCHXWVFAHEHD-KSSFIOAISA-N 1 0 341.430 4.032 50 0 EIAARO C[C@H]([NH2+]CCc1ccccc1Br)c1ccc(Cl)nc1 ZINC000089905004 564115041 /nfs/dbraw/zinc/11/50/41/564115041.db2.gz YIDSOLIPMWGKJL-NSHDSACASA-N 1 0 339.664 4.391 50 0 EIAARO Cc1ccc(C(C)(C)C)c(OCCOCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000002822299 564116921 /nfs/dbraw/zinc/11/69/21/564116921.db2.gz VWTNKHSTHINGEN-GOSISDBHSA-N 1 0 333.516 4.420 50 0 EIAARO Clc1ccc(OCCOCC[NH2+]Cc2ccccc2)cc1Cl ZINC000002821911 564116942 /nfs/dbraw/zinc/11/69/42/564116942.db2.gz UMQFQRYUJBADSU-UHFFFAOYSA-N 1 0 340.250 4.179 50 0 EIAARO Cc1c(Cl)ccc(OCCOCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000002822911 564116953 /nfs/dbraw/zinc/11/69/53/564116953.db2.gz RVHUENQYIPNWJN-HUUCEWRRSA-N 1 0 339.907 4.330 50 0 EIAARO Cc1ccc([C@@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)cc1C ZINC000252444157 564118457 /nfs/dbraw/zinc/11/84/57/564118457.db2.gz GPKDYWJVQIPDGQ-HZPDHXFCSA-N 1 0 342.508 4.161 50 0 EIAARO COc1cc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)ccc1C ZINC000252487775 564119424 /nfs/dbraw/zinc/11/94/24/564119424.db2.gz IBLZAUMOOMESOM-UHFFFAOYSA-N 1 0 338.451 4.032 50 0 EIAARO O[C@H](COc1ccc(C[NH2+]Cc2ccccc2)cc1)c1ccccc1 ZINC000007779651 564123111 /nfs/dbraw/zinc/12/31/11/564123111.db2.gz CFEGXTUVJWYREU-JOCHJYFZSA-N 1 0 333.431 4.089 50 0 EIAARO CC(C)c1ccccc1NC(=S)NCC1([NH+](C)C)CCCCC1 ZINC000007783182 564123251 /nfs/dbraw/zinc/12/32/51/564123251.db2.gz IYUUMHKFRIOROA-UHFFFAOYSA-N 1 0 333.545 4.361 50 0 EIAARO CCC[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000078869630 564137273 /nfs/dbraw/zinc/13/72/73/564137273.db2.gz ONZUQFBMUYPLNC-SXLOBPIMSA-N 1 0 342.458 4.399 50 0 EIAARO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3cccnc3)s2)n1 ZINC000093445030 564137608 /nfs/dbraw/zinc/13/76/08/564137608.db2.gz AAUBYZITFPRXRQ-SFHVURJKSA-N 1 0 336.464 4.246 50 0 EIAARO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1Cn1cccn1 ZINC000095419417 564139777 /nfs/dbraw/zinc/13/97/77/564139777.db2.gz SCIFRFILUMUNJU-JKSUJKDBSA-N 1 0 339.439 4.253 50 0 EIAARO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000095419358 564139826 /nfs/dbraw/zinc/13/98/26/564139826.db2.gz XYKWCHDODVTSRF-CABCVRRESA-N 1 0 340.423 4.064 50 0 EIAARO Cc1nc(-c2ccc(CC[NH2+][C@@H](C)C3CCOCC3)s2)cs1 ZINC000095419564 564139832 /nfs/dbraw/zinc/13/98/32/564139832.db2.gz MUJSKCSQGIMDBN-LBPRGKRZSA-N 1 0 336.526 4.127 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095419567 564139840 /nfs/dbraw/zinc/13/98/40/564139840.db2.gz SONTWINKMISDTL-VBKZILBWSA-N 1 0 335.451 4.309 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000095419660 564139861 /nfs/dbraw/zinc/13/98/61/564139861.db2.gz PRAFCOBFQAMKGW-OAHLLOKOSA-N 1 0 338.451 4.285 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095419570 564139885 /nfs/dbraw/zinc/13/98/85/564139885.db2.gz SONTWINKMISDTL-VLIAUNLRSA-N 1 0 335.451 4.309 50 0 EIAARO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000095420157 564139892 /nfs/dbraw/zinc/13/98/92/564139892.db2.gz XDCXRUDSFLQJRN-QGZVFWFLSA-N 1 0 335.451 4.099 50 0 EIAARO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc3ccccc3n2)c1 ZINC000095420451 564139895 /nfs/dbraw/zinc/13/98/95/564139895.db2.gz BRIUZWUWKPJIEO-MRXNPFEDSA-N 1 0 347.462 4.225 50 0 EIAARO CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1OC ZINC000095420546 564139926 /nfs/dbraw/zinc/13/99/26/564139926.db2.gz HTASLQYLBBIGMG-NSHDSACASA-N 1 0 338.810 4.132 50 0 EIAARO c1ccc(N2CCC([NH2+][C@@H]3CC4(CCC4)Oc4ccccc43)CC2)nc1 ZINC000095420312 564139935 /nfs/dbraw/zinc/13/99/35/564139935.db2.gz GJSNSKXDTNLZLY-LJQANCHMSA-N 1 0 349.478 4.087 50 0 EIAARO CC[C@@H]([NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1)c1cccs1 ZINC000095420843 564139992 /nfs/dbraw/zinc/13/99/92/564139992.db2.gz IDPAVSGUUHVFCG-IAGOWNOFSA-N 1 0 344.480 4.107 50 0 EIAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H](CCO)c1cccs1 ZINC000095423033 564140138 /nfs/dbraw/zinc/14/01/38/564140138.db2.gz NCBVCTKAWAGWEQ-BXUZGUMPSA-N 1 0 325.861 4.184 50 0 EIAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000095422808 564140161 /nfs/dbraw/zinc/14/01/61/564140161.db2.gz YOQQOGUMPZQHFB-KBPBESRZSA-N 1 0 338.455 4.067 50 0 EIAARO CCOc1cccc2cc([C@@H](C)[NH2+]CC3([C@H](O)C(C)C)CC3)oc21 ZINC000095463505 564140910 /nfs/dbraw/zinc/14/09/10/564140910.db2.gz VXEZLIGFOPPMRK-AUUYWEPGSA-N 1 0 331.456 4.279 50 0 EIAARO C[C@@H](OC(=O)CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095468924 564141211 /nfs/dbraw/zinc/14/12/11/564141211.db2.gz BWDJRPHDBVRKQY-NQIIRXRSSA-N 1 0 337.463 4.073 50 0 EIAARO C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc2ccccc2c(=O)[nH]1 ZINC000095945706 564142174 /nfs/dbraw/zinc/14/21/74/564142174.db2.gz NAMOHXUVCAGGKP-INIZCTEOSA-N 1 0 332.447 4.329 50 0 EIAARO CC(C)(C)c1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000095946248 564142229 /nfs/dbraw/zinc/14/22/29/564142229.db2.gz LGWYZZVJWZCNPJ-KRWDZBQOSA-N 1 0 343.515 4.324 50 0 EIAARO COc1ccc([C@H](C)[NH2+]C[C@H](C)Cc2cccs2)cc1NC(C)=O ZINC000095968546 564143217 /nfs/dbraw/zinc/14/32/17/564143217.db2.gz RUMQEPFCFYFTMR-KGLIPLIRSA-N 1 0 346.496 4.245 50 0 EIAARO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000096027623 564145029 /nfs/dbraw/zinc/14/50/29/564145029.db2.gz VAIZWCXLYIRZSI-ROUUACIJSA-N 1 0 336.479 4.155 50 0 EIAARO Cc1cnc(C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)cn1 ZINC000096476667 564148466 /nfs/dbraw/zinc/14/84/66/564148466.db2.gz FYYKIAOMBVUMTQ-QGZVFWFLSA-N 1 0 346.272 4.179 50 0 EIAARO Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc4ccccc4n3)CC2)n1 ZINC000096477889 564148550 /nfs/dbraw/zinc/14/85/50/564148550.db2.gz VESCMSXMACLXQU-QGZVFWFLSA-N 1 0 346.478 4.258 50 0 EIAARO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000057315490 564153551 /nfs/dbraw/zinc/15/35/51/564153551.db2.gz OZIJIPUOGLDGGU-ZDUSSCGKSA-N 1 0 332.831 4.028 50 0 EIAARO C[N@H+](Cc1cccc(F)c1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000057406503 564153948 /nfs/dbraw/zinc/15/39/48/564153948.db2.gz MBCKVJPTLOTTIK-UHFFFAOYSA-N 1 0 337.394 4.053 50 0 EIAARO O=C(NCC[NH+]1CCCCC1)Nc1ccc2c(c1)oc1ccccc12 ZINC000057594595 564155114 /nfs/dbraw/zinc/15/51/14/564155114.db2.gz AMTXUAZYULBMEW-UHFFFAOYSA-N 1 0 337.423 4.193 50 0 EIAARO CCc1cc2c(C[N@H+](C)Cc3sccc3C)cc(=O)oc2cc1O ZINC000057802863 564155894 /nfs/dbraw/zinc/15/58/94/564155894.db2.gz FFOOHUNCYRHYAO-UHFFFAOYSA-N 1 0 343.448 4.063 50 0 EIAARO C[C@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211488 564156000 /nfs/dbraw/zinc/15/60/00/564156000.db2.gz FXPQNIMLKQBNIY-YOEHRIQHSA-N 1 0 345.537 4.260 50 0 EIAARO Cc1sc2ncnc(NC[C@@H](c3ccccc3)[NH+](C)C)c2c1C ZINC000003301301 564157238 /nfs/dbraw/zinc/15/72/38/564157238.db2.gz JBYBSZIEQWWITL-HNNXBMFYSA-N 1 0 326.469 4.023 50 0 EIAARO O[C@H](C[NH2+][C@H]1CCCc2ccccc21)COc1ccc2ccccc2c1 ZINC000003401912 564157972 /nfs/dbraw/zinc/15/79/72/564157972.db2.gz IFKJZRBFDUBHHF-OFNKIYASSA-N 1 0 347.458 4.247 50 0 EIAARO CC(=O)Nc1ccc2nc(C[N@@H+]3CC4C[C@@H]5CC3C[C@H](C4)C5)ccc2c1 ZINC000670452953 564159601 /nfs/dbraw/zinc/15/96/01/564159601.db2.gz OGPBKXLILLSDPJ-FAQHILDVSA-N 1 0 349.478 4.204 50 0 EIAARO C[C@@H]1CCC[N@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 ZINC000004024568 564160080 /nfs/dbraw/zinc/16/00/80/564160080.db2.gz RBCKIFIDZCUQEN-BVOBVLFCSA-N 1 0 331.500 4.033 50 0 biogenic EIAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C12CC3CC(CC(C3)C1)C2 ZINC000004028038 564160128 /nfs/dbraw/zinc/16/01/28/564160128.db2.gz QJFVOGPINUBXND-GELQRLDPSA-N 1 0 331.500 4.011 50 0 biogenic EIAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000004169094 564160996 /nfs/dbraw/zinc/16/09/96/564160996.db2.gz NMVJJEDURJILIY-ROUUACIJSA-N 1 0 340.511 4.064 50 0 EIAARO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COc1ccccc1Cl ZINC000004317323 564161658 /nfs/dbraw/zinc/16/16/58/564161658.db2.gz ZRALWSXXWMBLDO-CQSZACIVSA-N 1 0 325.880 4.123 50 0 EIAARO COc1ccc2cc(C[NH2+]CCCn3cnc4ccccc43)ccc2c1 ZINC000007985267 564161828 /nfs/dbraw/zinc/16/18/28/564161828.db2.gz FOOKPPTZSOTVDB-UHFFFAOYSA-N 1 0 345.446 4.378 50 0 EIAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008572574 564165781 /nfs/dbraw/zinc/16/57/81/564165781.db2.gz QAKLMFLUPOYDIG-UHFFFAOYSA-N 1 0 349.478 4.337 50 0 EIAARO CC1CCC([N@H+](C)Cc2nc3c4ccccc4oc3c(=O)[nH]2)CC1 ZINC000067443740 564165899 /nfs/dbraw/zinc/16/58/99/564165899.db2.gz MTVQKRVBKNYBBI-UHFFFAOYSA-N 1 0 325.412 4.092 50 0 EIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(N(CC)CC)cc2c1=O ZINC000008717359 564166745 /nfs/dbraw/zinc/16/67/45/564166745.db2.gz IUKSDPQWRPZBGV-UHFFFAOYSA-N 1 0 329.488 4.327 50 0 EIAARO CCN(CC)c1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717370 564166831 /nfs/dbraw/zinc/16/68/31/564166831.db2.gz OXBIWWONYGMPNW-HNNXBMFYSA-N 1 0 341.499 4.327 50 0 EIAARO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+]1CCCCC1 ZINC000008717966 564166862 /nfs/dbraw/zinc/16/68/62/564166862.db2.gz DCDRNWNBEAZLNL-UHFFFAOYSA-N 1 0 328.456 4.270 50 0 EIAARO O=C(NCc1cccc(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000008772608 564167385 /nfs/dbraw/zinc/16/73/85/564167385.db2.gz DHUXWLQVLJYWAM-UHFFFAOYSA-N 1 0 342.870 4.256 50 0 EIAARO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000040108188 564168102 /nfs/dbraw/zinc/16/81/02/564168102.db2.gz HAXVMUZEKPPLPJ-QZTJIDSGSA-N 1 0 340.492 4.080 50 0 EIAARO CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H](C)c2cccnc2)cc1)C(C)C ZINC000069417520 564169304 /nfs/dbraw/zinc/16/93/04/564169304.db2.gz MLVQOYOITXWHIX-KRWDZBQOSA-N 1 0 339.483 4.145 50 0 EIAARO c1coc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000009549215 564174095 /nfs/dbraw/zinc/17/40/95/564174095.db2.gz GNHSYEUGCNYWBP-UHFFFAOYSA-N 1 0 335.432 4.484 50 0 EIAARO C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140296 564175080 /nfs/dbraw/zinc/17/50/80/564175080.db2.gz YGKGKRFPIQPLON-MRXNPFEDSA-N 1 0 347.462 4.375 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000010329707 564175286 /nfs/dbraw/zinc/17/52/86/564175286.db2.gz VJYNUBHXYZKNOT-IBGZPJMESA-N 1 0 342.458 4.156 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010328893 564175292 /nfs/dbraw/zinc/17/52/92/564175292.db2.gz PMIZPSQZRZAKHW-JOCHJYFZSA-N 1 0 346.474 4.110 50 0 EIAARO CCCc1ccc(C(=O)N(C)CC2CC[NH+](CC(C)C)CC2)cc1 ZINC000020455763 1020276319 /nfs/dbraw/zinc/27/63/19/1020276319.db2.gz QXYBRPVHMAQMRZ-UHFFFAOYSA-N 1 0 330.516 4.079 50 0 EIAARO Fc1cccc(F)c1CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000247560342 1023072281 /nfs/dbraw/zinc/07/22/81/1023072281.db2.gz YQXOABLFXYUKNB-PMACEKPBSA-N 1 0 334.454 4.194 50 0 EIAARO Fc1ccc([C@H]2CN(Cc3cccc4cnccc43)CCO2)c(F)c1 ZINC000190131610 1023459959 /nfs/dbraw/zinc/45/99/59/1023459959.db2.gz SJTBHJGSSHKHQP-HXUWFJFHSA-N 1 0 340.373 4.087 50 0 EIAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000023280609 1031347255 /nfs/dbraw/zinc/34/72/55/1031347255.db2.gz WJYIYVYHENNDET-GFCCVEGCSA-N 1 0 337.341 4.155 50 0 EIAARO O=C(c1cccc(C(F)F)c1)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21 ZINC000171545417 1037471002 /nfs/dbraw/zinc/47/10/02/1037471002.db2.gz ZTYSGBUQIGAQEZ-QGZVFWFLSA-N 1 0 342.389 4.249 50 0 EIAARO CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(-n2ccnc2)cc1 ZINC000254669986 1042814033 /nfs/dbraw/zinc/81/40/33/1042814033.db2.gz NFBIFNIKDRJEED-UHFFFAOYSA-N 1 0 345.328 4.122 50 0 EIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]C1CC1 ZINC000012596954 1044446327 /nfs/dbraw/zinc/44/63/27/1044446327.db2.gz LIEJLHNQXUINKU-UHFFFAOYSA-N 1 0 339.389 4.378 50 0 EIAARO c1coc(CN2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)c1 ZINC000014957512 1044787556 /nfs/dbraw/zinc/78/75/56/1044787556.db2.gz LCFVBXMLMVRVID-QFIPXVFZSA-N 1 0 338.495 4.200 50 0 EIAARO Cc1cnc(-c2ccccc2)n1C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000575547526 1045256559 /nfs/dbraw/zinc/25/65/59/1045256559.db2.gz HJZVLWVXGQSUES-IBGZPJMESA-N 1 0 346.478 4.166 50 0 EIAARO Cc1ccc(C[N@@H+]2CC[C@@H](n3c(C)cnc3-c3cccnc3)C2)s1 ZINC000575550303 1045258463 /nfs/dbraw/zinc/25/84/63/1045258463.db2.gz UJQVGIHWUQZJRG-QGZVFWFLSA-N 1 0 338.480 4.070 50 0 EIAARO C[NH+]1CCC(c2nnc(COc3ccccc3-c3ccccc3)o2)CC1 ZINC000952874706 1049678845 /nfs/dbraw/zinc/67/88/45/1049678845.db2.gz BLRHHUYCEDWZFK-UHFFFAOYSA-N 1 0 349.434 4.125 50 0 EIAARO C[C@@H](c1cccnc1)[N@H+](C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000179626131 1049691287 /nfs/dbraw/zinc/69/12/87/1049691287.db2.gz LFQYHQIMQAJREG-AWEZNQCLSA-N 1 0 346.858 4.132 50 0 EIAARO CC(C)N1C(=O)C2(CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000581801160 1060004344 /nfs/dbraw/zinc/00/43/44/1060004344.db2.gz YQUWMEDCOQJUDB-FQEVSTJZSA-N 1 0 340.511 4.393 50 0 EIAARO Fc1cc(C[N@H+](Cc2ccco2)C2CCCC2)c2c(c1)COCO2 ZINC000052076963 214116753 /nfs/dbraw/zinc/11/67/53/214116753.db2.gz HZAAVVYFBPATCC-UHFFFAOYSA-N 1 0 331.387 4.230 50 0 EIAARO CCc1ccccc1NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000006877361 201704416 /nfs/dbraw/zinc/70/44/16/201704416.db2.gz ROUVOHLUEVFLMA-UHFFFAOYSA-N 1 0 343.515 4.369 50 0 EIAARO Clc1cccc2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)nc12 ZINC000097694970 219048376 /nfs/dbraw/zinc/04/83/76/219048376.db2.gz JRBDSNAVCJZIBC-HNNXBMFYSA-N 1 0 338.842 4.058 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000010339722 201797285 /nfs/dbraw/zinc/79/72/85/201797285.db2.gz TXWWDYBOLGTKRI-NHCUHLMSSA-N 1 0 334.463 4.017 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH+]2CCC(C)CC2)c2c1cccc2Cl ZINC000012421932 201845884 /nfs/dbraw/zinc/84/58/84/201845884.db2.gz LMNWQRSULUAYSC-MRXNPFEDSA-N 1 0 334.891 4.004 50 0 EIAARO O[C@@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)C[NH+]1CCCCC1 ZINC000012421957 201846477 /nfs/dbraw/zinc/84/64/77/201846477.db2.gz ACMRDSJKTZGCFH-OAHLLOKOSA-N 1 0 346.902 4.020 50 0 EIAARO CCc1ccc([C@@](O)(C[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019205309 201999756 /nfs/dbraw/zinc/99/97/56/201999756.db2.gz CZLGEIAMXALFAS-HSZRJFAPSA-N 1 0 331.459 4.275 50 0 EIAARO Cc1ccccc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019360238 202006183 /nfs/dbraw/zinc/00/61/83/202006183.db2.gz YZDHAGZQOWYJRG-UHFFFAOYSA-N 1 0 330.475 4.466 50 0 EIAARO CSc1ccc(CN2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000019781973 202020515 /nfs/dbraw/zinc/02/05/15/202020515.db2.gz AWTGCVQCEABFST-UHFFFAOYSA-N 1 0 326.509 4.035 50 0 EIAARO CCc1ccc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019789141 202020941 /nfs/dbraw/zinc/02/09/41/202020941.db2.gz IUSRPFHVAGISQE-UHFFFAOYSA-N 1 0 328.887 4.220 50 0 EIAARO FC(F)(F)c1ccccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000019831825 202022965 /nfs/dbraw/zinc/02/29/65/202022965.db2.gz NRIGHZKBHDKEFW-UHFFFAOYSA-N 1 0 326.406 4.156 50 0 EIAARO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCC[C@H]1CO ZINC000019954105 202027350 /nfs/dbraw/zinc/02/73/50/202027350.db2.gz CBVBUSOUBNXZDH-FQEVSTJZSA-N 1 0 348.446 4.274 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)c(C)c1)[NH2+]CC2 ZINC000020506896 202046820 /nfs/dbraw/zinc/04/68/20/202046820.db2.gz WTVGYFTYGISDAS-NRFANRHFSA-N 1 0 341.451 4.036 50 0 biogenic EIAARO CCc1onc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000021720799 202069135 /nfs/dbraw/zinc/06/91/35/202069135.db2.gz YDBWRMBGTGSBFL-KRWDZBQOSA-N 1 0 336.439 4.273 50 0 EIAARO Cc1nc(CC[NH+]2CCC(Oc3cccc(C)c3)CC2)c(C)s1 ZINC000020911459 202058010 /nfs/dbraw/zinc/05/80/10/202058010.db2.gz ADBWPJZGYMGPCX-UHFFFAOYSA-N 1 0 330.497 4.154 50 0 EIAARO CC(C)[NH+](CCNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000022623186 202088339 /nfs/dbraw/zinc/08/83/39/202088339.db2.gz DVVFJFJJBHHBTR-UHFFFAOYSA-N 1 0 348.874 4.449 50 0 EIAARO CC[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)[NH+]1CCCC1 ZINC000024798504 202121986 /nfs/dbraw/zinc/12/19/86/202121986.db2.gz FAZZZGUSVXGHLS-CQSZACIVSA-N 1 0 346.858 4.204 50 0 EIAARO C[NH+](C)Cc1ccccc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000024644308 202118493 /nfs/dbraw/zinc/11/84/93/202118493.db2.gz JOAFHQOGMZYZSR-UHFFFAOYSA-N 1 0 347.462 4.361 50 0 EIAARO COc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222466 202152494 /nfs/dbraw/zinc/15/24/94/202152494.db2.gz NTWGNJQSJZFTTJ-HXUWFJFHSA-N 1 0 347.462 4.107 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000027581859 202157110 /nfs/dbraw/zinc/15/71/10/202157110.db2.gz QGWYPPTWVMZQIY-FQEVSTJZSA-N 1 0 340.442 4.091 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027581879 202157804 /nfs/dbraw/zinc/15/78/04/202157804.db2.gz TYFCZWBGPKRXSI-HXUWFJFHSA-N 1 0 340.442 4.091 50 0 EIAARO O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1ccccc1 ZINC000027663900 202158846 /nfs/dbraw/zinc/15/88/46/202158846.db2.gz QMLBBSUHCDRFOL-IBGZPJMESA-N 1 0 342.870 4.297 50 0 EIAARO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 ZINC000040139151 202175409 /nfs/dbraw/zinc/17/54/09/202175409.db2.gz STNXYWGHYUCQAJ-UHFFFAOYSA-N 1 0 348.849 4.251 50 0 EIAARO CC[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccccc1OC(F)F ZINC000030904747 202200081 /nfs/dbraw/zinc/20/00/81/202200081.db2.gz HPENNPCVIRNKFG-KRWDZBQOSA-N 1 0 348.393 4.487 50 0 EIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc2ccccc21 ZINC000032721271 202231529 /nfs/dbraw/zinc/23/15/29/202231529.db2.gz ZYEWZWRPWNWQIS-JOCHJYFZSA-N 1 0 344.458 4.407 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000032902443 202240995 /nfs/dbraw/zinc/24/09/95/202240995.db2.gz LMCRTRVSVWSGAZ-QGZVFWFLSA-N 1 0 348.849 4.292 50 0 EIAARO Cc1cccc(NC(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)c1C ZINC000033312148 202256848 /nfs/dbraw/zinc/25/68/48/202256848.db2.gz MCJLAAIVQQFOGN-MRXNPFEDSA-N 1 0 343.515 4.279 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COCc1ccco1 ZINC000036103895 202315659 /nfs/dbraw/zinc/31/56/59/202315659.db2.gz SNVSHTKNKJZTEN-ICSRJNTNSA-N 1 0 345.483 4.075 50 0 EIAARO CC[C@@H](C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774581 202502480 /nfs/dbraw/zinc/50/24/80/202502480.db2.gz LCKSSPAHIALMDM-CHWSQXEVSA-N 1 0 326.278 4.341 50 0 EIAARO Cc1ccsc1[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000155149980 201397540 /nfs/dbraw/zinc/39/75/40/201397540.db2.gz JOBUPHQSBGMGKJ-AWEZNQCLSA-N 1 0 346.471 4.151 50 0 EIAARO C[C@H]([NH2+]Cc1cccc2cccnc21)c1ccc(-n2ccnc2)cc1 ZINC000023625031 212386329 /nfs/dbraw/zinc/38/63/29/212386329.db2.gz ZJKQOGCKAOYQDK-INIZCTEOSA-N 1 0 328.419 4.271 50 0 EIAARO Cc1noc(C)c1CC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000194033490 240408191 /nfs/dbraw/zinc/40/81/91/240408191.db2.gz INKKPTVJEWWKAU-UHFFFAOYSA-N 1 0 349.272 4.132 50 0 EIAARO O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-[n+]1ccccc1 ZINC000000203463 201447902 /nfs/dbraw/zinc/44/79/02/201447902.db2.gz FYQYEFNBKVNDON-UHFFFAOYSA-O 1 0 333.798 4.125 50 0 EIAARO Cc1n[nH]c(C)c1[C@@H](C)N(C)Cc1cnc(C2CCCCC2)nc1 ZINC000215913761 241154769 /nfs/dbraw/zinc/15/47/69/241154769.db2.gz BOFWUBLIJVBPHK-OAHLLOKOSA-N 1 0 327.476 4.057 50 0 EIAARO c1cnn(Cc2ccccc2C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000215405980 241122618 /nfs/dbraw/zinc/12/26/18/241122618.db2.gz RNDQYSUMVKFVLM-NRFANRHFSA-N 1 0 332.451 4.054 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000005073593 201637915 /nfs/dbraw/zinc/63/79/15/201637915.db2.gz WPYJHCPYGNYTGC-LWICZACBSA-N 1 0 325.537 4.232 50 0 EIAARO Clc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCCc3cccnc3)nc2c1 ZINC000244712668 243062810 /nfs/dbraw/zinc/06/28/10/243062810.db2.gz KUAWBDIMAVFXOI-GOSISDBHSA-N 1 0 340.858 4.381 50 0 EIAARO c1nc(-c2ccccc2)c(-c2cccnc2)n1CCCC[NH+]1CCCC1 ZINC000065528328 202859363 /nfs/dbraw/zinc/85/93/63/202859363.db2.gz OTJNMIOCALHTPD-UHFFFAOYSA-N 1 0 346.478 4.488 50 0 EIAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000071760086 203109469 /nfs/dbraw/zinc/10/94/69/203109469.db2.gz FQWAYGGKTJDJMO-MRXNPFEDSA-N 1 0 343.442 4.385 50 0 EIAARO O=C(NCC[NH+]1CCCCCC1)c1sc2ccccc2c1Cl ZINC000071884742 203136681 /nfs/dbraw/zinc/13/66/81/203136681.db2.gz SLQKPQWZFHBLRE-UHFFFAOYSA-N 1 0 336.888 4.161 50 0 EIAARO c1coc([C@H]2CCCCC[N@H+]2Cc2cnc(N3CCCC3)s2)c1 ZINC000072120672 203163419 /nfs/dbraw/zinc/16/34/19/203163419.db2.gz GPJWWCORUOUNIA-MRXNPFEDSA-N 1 0 331.485 4.454 50 0 EIAARO OCCCC[N@@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072121673 203163442 /nfs/dbraw/zinc/16/34/42/203163442.db2.gz ASOZNSONVFRYFY-HNNXBMFYSA-N 1 0 329.406 4.123 50 0 EIAARO O=C(Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072406768 203215540 /nfs/dbraw/zinc/21/55/40/203215540.db2.gz DCVXSGAFZWIEPK-HXUWFJFHSA-N 1 0 344.458 4.259 50 0 EIAARO CC[N@H+](Cc1cn(C)nc1-c1cccc(Cl)c1)Cc1ccncc1 ZINC000072408325 203216256 /nfs/dbraw/zinc/21/62/56/203216256.db2.gz YEGPGYFKJJWKJV-UHFFFAOYSA-N 1 0 340.858 4.158 50 0 EIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000077344254 203381432 /nfs/dbraw/zinc/38/14/32/203381432.db2.gz TYBYSBRWGBAHEB-QGZVFWFLSA-N 1 0 349.425 4.238 50 0 EIAARO Cc1ccccc1-c1c[nH]nc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000077486807 203391639 /nfs/dbraw/zinc/39/16/39/203391639.db2.gz FRLCHTGGRREYTK-UHFFFAOYSA-N 1 0 332.451 4.160 50 0 EIAARO c1coc(-c2nnc(C[N@H+]3CCCC[C@H]3CCc3cccs3)o2)c1 ZINC000077525170 203393931 /nfs/dbraw/zinc/39/39/31/203393931.db2.gz XRDFAIREEISZTI-AWEZNQCLSA-N 1 0 343.452 4.378 50 0 EIAARO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1OC ZINC000019721121 212058820 /nfs/dbraw/zinc/05/88/20/212058820.db2.gz QHGZFSFDOAFNJB-UHFFFAOYSA-N 1 0 340.250 4.343 50 0 EIAARO COc1ccc(CC[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000019720719 212058248 /nfs/dbraw/zinc/05/82/48/212058248.db2.gz AKDISEXALHOUGG-UHFFFAOYSA-N 1 0 339.357 4.055 50 0 EIAARO CS[C@@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000095967432 203780057 /nfs/dbraw/zinc/78/00/57/203780057.db2.gz MUNJNPOELPDDNT-QZTJIDSGSA-N 1 0 337.504 4.138 50 0 EIAARO C[C@@H](Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000097037134 203911229 /nfs/dbraw/zinc/91/12/29/203911229.db2.gz JJCCIMQMVZPTNK-GYCJOSAFSA-N 1 0 342.508 4.193 50 0 EIAARO Clc1ccc([C@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C2CC2)cc1 ZINC000097159437 203929943 /nfs/dbraw/zinc/92/99/43/203929943.db2.gz QVARZPCMDMVMGY-GOSISDBHSA-N 1 0 338.842 4.366 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000043357076 204250176 /nfs/dbraw/zinc/25/01/76/204250176.db2.gz WEPGTKVGOIVEQA-HNNXBMFYSA-N 1 0 337.876 4.134 50 0 EIAARO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cc(OC)c1OC ZINC000046837477 204336477 /nfs/dbraw/zinc/33/64/77/204336477.db2.gz IELUDRUIIFMJST-JTQLQIEISA-N 1 0 341.860 4.278 50 0 EIAARO CC1(C)CC(NC(=O)Nc2cccc3ccccc32)CC(C)(C)[NH2+]1 ZINC000000804495 205535178 /nfs/dbraw/zinc/53/51/78/205535178.db2.gz BCMHLZOMMURSHK-UHFFFAOYSA-N 1 0 325.456 4.271 50 0 EIAARO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ncccc1C)C(C)C)CCO2 ZINC000095422489 218365290 /nfs/dbraw/zinc/36/52/90/218365290.db2.gz QIVMZPLCSIVGGT-PKOBYXMFSA-N 1 0 326.440 4.209 50 0 EIAARO CS[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000096434803 218812723 /nfs/dbraw/zinc/81/27/23/218812723.db2.gz POBGPZZOZZEIKX-CKEIUWERSA-N 1 0 335.517 4.057 50 0 EIAARO O=C(CC[NH+]1CCN(c2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000054979038 132192791 /nfs/dbraw/zinc/19/27/91/132192791.db2.gz UTWZEAFHTFHBKG-UHFFFAOYSA-N 1 0 344.458 4.235 50 0 EIAARO CC(C)[C@@H](C)[N@H+](Cc1ccco1)Cc1cc(-c2ccncc2)no1 ZINC000244734919 535162421 /nfs/dbraw/zinc/16/24/21/535162421.db2.gz NNZCPTUOYUFZDZ-OAHLLOKOSA-N 1 0 325.412 4.376 50 0 EIAARO CNC(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000244893037 536422449 /nfs/dbraw/zinc/42/24/49/536422449.db2.gz YUCOABVAUCZEJR-HXUWFJFHSA-N 1 0 340.442 4.303 50 0 EIAARO C[C@H]1Cc2scc[n+]2-c2ccccc2N1C(=O)Nc1ccccc1 ZINC000000112682 563230533 /nfs/dbraw/zinc/23/05/33/563230533.db2.gz LQRPCYMQZDSDJD-AWEZNQCLSA-O 1 0 336.440 4.008 50 0 EIAARO COc1cc2c(cc1OC)[C@@H](C)[N@H+](Cc1cc(C)c(O)c(C)c1)CC2 ZINC000000166615 563249681 /nfs/dbraw/zinc/24/96/81/563249681.db2.gz GHYUFGSFFKSVCT-OAHLLOKOSA-N 1 0 341.451 4.146 50 0 EIAARO COc1ccc(C[NH2+][C@@H]2CC(C)(C)OC[C@@H]2Cc2ccccc2)cc1 ZINC000000197361 563257966 /nfs/dbraw/zinc/25/79/66/563257966.db2.gz YXAXNNGFZSMSET-PZJWPPBQSA-N 1 0 339.479 4.211 50 0 EIAARO COc1ccc(C2(C[NH2+]Cc3ccccc3)CCCC2)cc1OC ZINC000000295387 563274693 /nfs/dbraw/zinc/27/46/93/563274693.db2.gz XJDBGVIEIMGMCR-UHFFFAOYSA-N 1 0 325.452 4.305 50 0 EIAARO C[C@@H](O)C[N@H+](C)CC/C=C1/c2ccccc2CSc2ccccc21 ZINC000000346676 563287925 /nfs/dbraw/zinc/28/79/25/563287925.db2.gz RZTBVIDBPCDVPL-VXIUPONVSA-N 1 0 339.504 4.427 50 0 EIAARO CCCn1c[n+](Cc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O ZINC000000388835 563303845 /nfs/dbraw/zinc/30/38/45/563303845.db2.gz CDYPBUCGSPGMFM-UHFFFAOYSA-N 1 0 335.471 4.045 50 0 EIAARO COc1ccc2c(c1)c1nc(C)sc1n2CC[NH+]1CCCCC1 ZINC000002331090 563429341 /nfs/dbraw/zinc/42/93/41/563429341.db2.gz MVGLWBPAGWXFDB-UHFFFAOYSA-N 1 0 329.469 4.054 50 0 EIAARO Brc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000002501463 563434638 /nfs/dbraw/zinc/43/46/38/563434638.db2.gz QTJRJEPSSNWTEU-UHFFFAOYSA-N 1 0 329.241 4.263 50 0 biogenic EIAARO O=C(c1ccc(Br)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000002514560 563435564 /nfs/dbraw/zinc/43/55/64/563435564.db2.gz CBQYQXBIDBDXMK-UHFFFAOYSA-N 1 0 344.252 4.276 50 0 EIAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(F)cc1 ZINC000003612413 563487174 /nfs/dbraw/zinc/48/71/74/563487174.db2.gz RRCXZTFMKZBETB-UHFFFAOYSA-N 1 0 340.446 4.129 50 0 EIAARO Cc1cc(Cl)ccc1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004682540 563507652 /nfs/dbraw/zinc/50/76/52/563507652.db2.gz DUEAPKDKBMBUID-UHFFFAOYSA-N 1 0 339.936 4.244 50 0 EIAARO C[N@H+](CCOC(=O)c1cc(Cl)ccc1Cl)Cc1ccccc1 ZINC000004755770 563510461 /nfs/dbraw/zinc/51/04/61/563510461.db2.gz MAAXUQYRFUASJT-UHFFFAOYSA-N 1 0 338.234 4.282 50 0 EIAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCCc1ccccc1 ZINC000004942977 563515913 /nfs/dbraw/zinc/51/59/13/563515913.db2.gz WNJACQREFQZXLR-UHFFFAOYSA-N 1 0 348.446 4.002 50 0 EIAARO COc1ccc(CC[NH2+][C@H](C)CC(C)(C)c2ccc(C)o2)cc1OC ZINC000005020452 563518943 /nfs/dbraw/zinc/51/89/43/563518943.db2.gz IFRIVNSINOMKHH-OAHLLOKOSA-N 1 0 345.483 4.494 50 0 EIAARO CC[NH+](CC)Cc1ccc(NC(=O)COc2cccc(C)c2C)cc1 ZINC000005041754 563519911 /nfs/dbraw/zinc/51/99/11/563519911.db2.gz ARFFSGPCLPWMOD-UHFFFAOYSA-N 1 0 340.467 4.163 50 0 EIAARO Cc1cc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)ccc1C(C)C ZINC000005073665 563520936 /nfs/dbraw/zinc/52/09/36/563520936.db2.gz FEHSPDGIMNPGSF-MJGOQNOKSA-N 1 0 327.468 4.209 50 0 EIAARO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 ZINC000071911752 563586518 /nfs/dbraw/zinc/58/65/18/563586518.db2.gz QJQUFSAEZXFHAJ-OAHLLOKOSA-N 1 0 347.528 4.137 50 0 EIAARO Cc1cc(C)cc(-c2ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc2)c1 ZINC000097377106 563606028 /nfs/dbraw/zinc/60/60/28/563606028.db2.gz LAHHCWBAVPALSR-UZUQRXQVSA-N 1 0 329.509 4.169 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000011852047 563651871 /nfs/dbraw/zinc/65/18/71/563651871.db2.gz ALSKJBPWZSRVLV-FGTMMUONSA-N 1 0 336.479 4.133 50 0 EIAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)n1 ZINC000012206985 563656114 /nfs/dbraw/zinc/65/61/14/563656114.db2.gz AYBYXNMCZRGXGZ-INIZCTEOSA-N 1 0 342.870 4.447 50 0 EIAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]Cc1ccsc1 ZINC000012298062 563657311 /nfs/dbraw/zinc/65/73/11/563657311.db2.gz VZDQPSHHBNAVMM-HNNXBMFYSA-N 1 0 344.528 4.468 50 0 EIAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]C1CCSCC1 ZINC000012303931 563657767 /nfs/dbraw/zinc/65/77/67/563657767.db2.gz GDWKZICQANJKSQ-HNNXBMFYSA-N 1 0 348.560 4.102 50 0 EIAARO Cc1ccccc1OCCCCn1c(CCC[NH3+])nc2ccccc21 ZINC000012463130 563661535 /nfs/dbraw/zinc/66/15/35/563661535.db2.gz LGJPTYSEQDRWDU-UHFFFAOYSA-N 1 0 337.467 4.095 50 0 EIAARO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 ZINC000012993081 563682666 /nfs/dbraw/zinc/68/26/66/563682666.db2.gz RANGERMMHJGWOL-RDJZCZTQSA-N 1 0 326.440 4.072 50 0 EIAARO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 ZINC000012993080 563682707 /nfs/dbraw/zinc/68/27/07/563682707.db2.gz RANGERMMHJGWOL-DOTOQJQBSA-N 1 0 326.440 4.072 50 0 EIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)cc1 ZINC000013945734 563732518 /nfs/dbraw/zinc/73/25/18/563732518.db2.gz XEDJJHNVACNXON-OAQYLSRUSA-N 1 0 340.511 4.214 50 0 EIAARO O=C(CCc1ccccc1F)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014968764 563769154 /nfs/dbraw/zinc/76/91/54/563769154.db2.gz BHDBPGZSBFYIOJ-SFHVURJKSA-N 1 0 346.490 4.062 50 0 EIAARO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000015067650 563775636 /nfs/dbraw/zinc/77/56/36/563775636.db2.gz MFDUODSAWXDNKB-LJQANCHMSA-N 1 0 336.479 4.474 50 0 EIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000015866928 563798254 /nfs/dbraw/zinc/79/82/54/563798254.db2.gz UJKRTLUMVZTKSB-CQSZACIVSA-N 1 0 342.468 4.334 50 0 EIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccccc3)CC2)cc1 ZINC000016622634 563817707 /nfs/dbraw/zinc/81/77/07/563817707.db2.gz OPHJOKWSRWREDX-UHFFFAOYSA-N 1 0 337.467 4.029 50 0 EIAARO Fc1cc(C[NH+]2CCCCC2)c2c(c1)CO[C@@H](c1ccsc1)O2 ZINC000016699037 563821536 /nfs/dbraw/zinc/82/15/36/563821536.db2.gz LOHCBPQXJSTLRX-GOSISDBHSA-N 1 0 333.428 4.481 50 0 EIAARO Fc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccco3)C2)c1 ZINC000019111175 563853591 /nfs/dbraw/zinc/85/35/91/563853591.db2.gz CTSYILICOQCVRK-OAHLLOKOSA-N 1 0 325.387 4.188 50 0 EIAARO Oc1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)cc1 ZINC000024165253 563869307 /nfs/dbraw/zinc/86/93/07/563869307.db2.gz CNRFYVNRFXYDJB-UHFFFAOYSA-N 1 0 344.458 4.381 50 0 EIAARO C[C@@H]1C[N@@H+](CCCOc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000013153573 563871354 /nfs/dbraw/zinc/87/13/54/563871354.db2.gz QGNHCJSZAPKCOJ-HDICACEKSA-N 1 0 325.452 4.232 50 0 EIAARO c1cc2n(c1)CC[N@@H+](CCc1ccc3c(c1)CCO3)[C@@H]2c1ccccc1 ZINC000072305144 563914590 /nfs/dbraw/zinc/91/45/90/563914590.db2.gz FIEPNGPCWCDKPT-HSZRJFAPSA-N 1 0 344.458 4.071 50 0 EIAARO Cc1ccc(C(C)(C)C[C@@H](C)[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000022077788 563918414 /nfs/dbraw/zinc/91/84/14/563918414.db2.gz IEHBINBFDIKIOP-GOSISDBHSA-N 1 0 340.511 4.462 50 0 EIAARO Brc1ccc(OC[C@H]2CC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042770699 563924946 /nfs/dbraw/zinc/92/49/46/563924946.db2.gz YGMQODUKWVNZRQ-ZDUSSCGKSA-N 1 0 332.241 4.104 50 0 EIAARO O=C(NCCc1cccs1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000044276501 563926320 /nfs/dbraw/zinc/92/63/20/563926320.db2.gz KTMQRKZMYNAACV-UHFFFAOYSA-N 1 0 343.496 4.098 50 0 EIAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000055368825 563934594 /nfs/dbraw/zinc/93/45/94/563934594.db2.gz DRYXWGKXHUPKTB-CQSZACIVSA-N 1 0 347.455 4.299 50 0 EIAARO CC[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCC1CC[NH+](C)CC1 ZINC000055568975 563934853 /nfs/dbraw/zinc/93/48/53/563934853.db2.gz MQKVADBLZGXTRV-SFHVURJKSA-N 1 0 330.516 4.244 50 0 EIAARO CC(C)([NH2+]Cc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000058159804 563938325 /nfs/dbraw/zinc/93/83/25/563938325.db2.gz QHBJHRNQKWBBFR-UHFFFAOYSA-N 1 0 335.350 4.042 50 0 EIAARO O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2ccccc2)CC1 ZINC000058366633 563943860 /nfs/dbraw/zinc/94/38/60/563943860.db2.gz MSFYUHYDKWPKIO-JOCHJYFZSA-N 1 0 348.490 4.057 50 0 EIAARO C[C@@H](c1ccc(-c2ccc3[nH]c(CO)nc3c2)cc1)[NH+]1CCCCC1 ZINC000067840730 563962899 /nfs/dbraw/zinc/96/28/99/563962899.db2.gz PJMCPWPVWUPBTF-HNNXBMFYSA-N 1 0 335.451 4.269 50 0 EIAARO c1nc2c([nH]1)[C@@H](c1cccc3cccnc31)[N@H+](CC1CCCC1)CC2 ZINC000067935477 563963102 /nfs/dbraw/zinc/96/31/02/563963102.db2.gz RWKKWATYYYVNHO-OAQYLSRUSA-N 1 0 332.451 4.096 50 0 EIAARO CC1(C)C[C@@H]([NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)O1 ZINC000097164310 563968495 /nfs/dbraw/zinc/96/84/95/563968495.db2.gz RRUFBGMALPDSQC-OAHLLOKOSA-N 1 0 334.847 4.431 50 0 EIAARO Cc1ncc([C@H](C)[NH2+]Cc2ccnc(OC3CCCCC3)c2)c(C)n1 ZINC000097016715 563970945 /nfs/dbraw/zinc/97/09/45/563970945.db2.gz OUUHHJAXWSOZOP-AWEZNQCLSA-N 1 0 340.471 4.051 50 0 EIAARO COc1cc(F)c([C@@H](C)[NH2+]Cc2cccc3c2NCCC3)cc1OC ZINC000585136580 563971924 /nfs/dbraw/zinc/97/19/24/563971924.db2.gz LSZIAHSUXHIEFE-CYBMUJFWSA-N 1 0 344.430 4.052 50 0 EIAARO Clc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000097602401 563981729 /nfs/dbraw/zinc/98/17/29/563981729.db2.gz AWSTWJAFLUIYPW-UHFFFAOYSA-N 1 0 338.842 4.290 50 0 EIAARO O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000097758053 563981899 /nfs/dbraw/zinc/98/18/99/563981899.db2.gz ZRUYRBJAQNAVCP-LEWJYISDSA-N 1 0 334.463 4.131 50 0 EIAARO O=C(NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)c1cccs1 ZINC000011661811 563982232 /nfs/dbraw/zinc/98/22/32/563982232.db2.gz HBSBGCUPXKMGFX-KRWDZBQOSA-N 1 0 334.529 4.160 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072306863 563983106 /nfs/dbraw/zinc/98/31/06/563983106.db2.gz YGYLYSQMDJNFQI-QGZVFWFLSA-N 1 0 342.870 4.499 50 0 EIAARO C[NH+](C)CC/N=c1\cc(-c2ccccc2)oc2ccc(Cl)cc21 ZINC000000148603 563987316 /nfs/dbraw/zinc/98/73/16/563987316.db2.gz CGCPHTXCNKUKRK-HEHNFIMWSA-N 1 0 326.827 4.216 50 0 EIAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)cc1 ZINC000000261155 563989697 /nfs/dbraw/zinc/98/96/97/563989697.db2.gz UADMIOWGOLPKDY-UHFFFAOYSA-N 1 0 345.556 4.421 50 0 EIAARO C[C@H]1CCCC[C@H]1[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000300528 563990827 /nfs/dbraw/zinc/99/08/27/563990827.db2.gz XCNCPQPAEDAPFL-LAUBAEHRSA-N 1 0 336.479 4.176 50 0 EIAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1csc2c1CCCC2 ZINC000005070129 563994137 /nfs/dbraw/zinc/99/41/37/563994137.db2.gz ZMBRNJVGBUOWLD-GJZGRUSLSA-N 1 0 334.529 4.010 50 0 EIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc2c1CCCCC2 ZINC000005070432 563994184 /nfs/dbraw/zinc/99/41/84/563994184.db2.gz KTUAKUNBOQCCNA-MRXNPFEDSA-N 1 0 348.556 4.401 50 0 EIAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1csc2c1CCCCC2 ZINC000005070466 563994188 /nfs/dbraw/zinc/99/41/88/563994188.db2.gz DRXWSZZXLAXBAT-HOTGVXAUSA-N 1 0 348.556 4.400 50 0 EIAARO C[NH+](C)CCCn1c2c(c(=S)nc1-c1ccccc1)CCCC2 ZINC000005147307 563994676 /nfs/dbraw/zinc/99/46/76/563994676.db2.gz RGXIZYCMZRSMQS-UHFFFAOYSA-N 1 0 327.497 4.110 50 0 EIAARO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000063627678 563997550 /nfs/dbraw/zinc/99/75/50/563997550.db2.gz LESKDYXXNAAZAE-APWZRJJASA-N 1 0 344.499 4.301 50 0 EIAARO CC(C)C(=O)OC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822719 564000938 /nfs/dbraw/zinc/00/09/38/564000938.db2.gz UPXITFPVTSHUBP-GDBMZVCRSA-N 1 0 343.389 4.288 50 0 EIAARO O=C(Nc1ccccc1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000062580320 564006458 /nfs/dbraw/zinc/00/64/58/564006458.db2.gz UWFLHTFSCYDGGX-SFHVURJKSA-N 1 0 348.368 4.080 50 0 EIAARO O=C(Nc1ccccc1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000062580318 564006465 /nfs/dbraw/zinc/00/64/65/564006465.db2.gz UWFLHTFSCYDGGX-GOSISDBHSA-N 1 0 348.368 4.080 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000107323621 564026854 /nfs/dbraw/zinc/02/68/54/564026854.db2.gz MWHDVVCKIVHBEU-HBUWYVDXSA-N 1 0 334.891 4.028 50 0 EIAARO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)cc1 ZINC000048273371 564030402 /nfs/dbraw/zinc/03/04/02/564030402.db2.gz VBWSNVXGWZIQTQ-IBGZPJMESA-N 1 0 328.500 4.134 50 0 EIAARO O[C@@H](C[N@H+](Cc1cccs1)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000048324957 564030934 /nfs/dbraw/zinc/03/09/34/564030934.db2.gz HBFQCAFLJDRCPM-INIZCTEOSA-N 1 0 341.398 4.465 50 0 EIAARO Cc1c(C)n(Cc2ccccn2)c2[nH+]c3c(c(N)c12)CCCCCC3 ZINC000012322017 564034085 /nfs/dbraw/zinc/03/40/85/564034085.db2.gz KNLSEQIOKDMUPH-UHFFFAOYSA-N 1 0 334.467 4.338 50 0 EIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000008157001 564034750 /nfs/dbraw/zinc/03/47/50/564034750.db2.gz YUQAAVCWFAVHHJ-HNNXBMFYSA-N 1 0 349.887 4.360 50 0 EIAARO CC(C)n1cc(CN(C)Cc2ccc(C[NH+]3CCCCC3)s2)cn1 ZINC000222942036 564038443 /nfs/dbraw/zinc/03/84/43/564038443.db2.gz ZZFQTDDADGPAGT-UHFFFAOYSA-N 1 0 346.544 4.143 50 0 EIAARO Cc1ccc(C[NH2+]Cc2ccc(F)c(Br)c2)cc1F ZINC000237747613 564051461 /nfs/dbraw/zinc/05/14/61/564051461.db2.gz SIVNTRFNXKUYLU-UHFFFAOYSA-N 1 0 326.184 4.326 50 0 EIAARO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C)c(OC)c2)c1 ZINC000239882073 564051716 /nfs/dbraw/zinc/05/17/16/564051716.db2.gz DAEGEJWIMDADGB-UHFFFAOYSA-N 1 0 326.440 4.032 50 0 EIAARO Cc1cccc(Cn2cc(C[NH2+]C[C@@H]3CCCO3)c3ccccc32)c1 ZINC000247954535 564052837 /nfs/dbraw/zinc/05/28/37/564052837.db2.gz ZQSHVNXQJLAGKV-FQEVSTJZSA-N 1 0 334.463 4.267 50 0 EIAARO c1c(C[NH2+]Cc2ccncc2)c2ccccc2n1Cc1ccccc1 ZINC000248116054 564052975 /nfs/dbraw/zinc/05/29/75/564052975.db2.gz LNORLAQIOAWHTD-UHFFFAOYSA-N 1 0 327.431 4.374 50 0 EIAARO CC(C)(CO)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248158751 564053039 /nfs/dbraw/zinc/05/30/39/564053039.db2.gz JRYAQBSJVJUSQK-UHFFFAOYSA-N 1 0 342.870 4.204 50 0 EIAARO CC[C@H](CO)[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248149890 564053051 /nfs/dbraw/zinc/05/30/51/564053051.db2.gz GRWGPVPSTRZJNI-GOSISDBHSA-N 1 0 342.870 4.204 50 0 EIAARO COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(Cl)cc2)cc1 ZINC000012530418 564058214 /nfs/dbraw/zinc/05/82/14/564058214.db2.gz RUGBZSGHYIWZPO-UHFFFAOYSA-N 1 0 327.815 4.029 50 0 EIAARO CC[NH+](CC)CCOC(=O)[C@](C)(c1ccccc1)C1CCCCC1 ZINC000003609603 564060030 /nfs/dbraw/zinc/06/00/30/564060030.db2.gz KFFUMWAFMBSHHP-OAQYLSRUSA-N 1 0 331.500 4.410 50 0 EIAARO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120885476 564060553 /nfs/dbraw/zinc/06/05/53/564060553.db2.gz PBFIIQNKTHMLBE-DZGCQCFKSA-N 1 0 339.439 4.070 50 0 EIAARO COc1ccc(C[NH2+][C@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000078420590 564061943 /nfs/dbraw/zinc/06/19/43/564061943.db2.gz KUOQEPMQMAWIOY-IBGZPJMESA-N 1 0 339.439 4.067 50 0 EIAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000012769344 564068549 /nfs/dbraw/zinc/06/85/49/564068549.db2.gz PBDXKBADJGKUQN-INIZCTEOSA-N 1 0 340.442 4.303 50 0 EIAARO Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(Cl)c1 ZINC000012775631 564069317 /nfs/dbraw/zinc/06/93/17/564069317.db2.gz VYBNKKCGUGCPCB-UHFFFAOYSA-N 1 0 328.843 4.497 50 0 EIAARO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCc1ccc(F)cc1 ZINC000084667962 564069549 /nfs/dbraw/zinc/06/95/49/564069549.db2.gz CQUKVXAYTMOXDP-LBPRGKRZSA-N 1 0 331.416 4.173 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1ccccc1Cl ZINC000084736170 564069918 /nfs/dbraw/zinc/06/99/18/564069918.db2.gz HTSGLJDFMSEAQY-IYOUNJFTSA-N 1 0 334.891 4.028 50 0 EIAARO CCCC[NH+]1CCC(NC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000084744457 564070000 /nfs/dbraw/zinc/07/00/00/564070000.db2.gz WSRBBJREQPONSK-UHFFFAOYSA-N 1 0 348.490 4.252 50 0 EIAARO Cc1cc(C)cc(-n2ncc3c2ncnc3NCCc2cccs2)c1 ZINC000035681885 564086262 /nfs/dbraw/zinc/08/62/62/564086262.db2.gz IONOTCKIRGLYAE-UHFFFAOYSA-N 1 0 349.463 4.148 50 0 EIAARO FC(F)(F)c1cccc([C@H]([NH2+]C2CCN(C3CC3)CC2)C2CC2)c1 ZINC000091268676 564087438 /nfs/dbraw/zinc/08/74/38/564087438.db2.gz MOUVVLCIJITKCC-GOSISDBHSA-N 1 0 338.417 4.373 50 0 EIAARO CN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)o1)Cc1cnccn1 ZINC000092590797 564089037 /nfs/dbraw/zinc/08/90/37/564089037.db2.gz ZGWIAMRENUGYFD-UHFFFAOYSA-N 1 0 347.340 4.387 50 0 EIAARO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000006508065 564091200 /nfs/dbraw/zinc/09/12/00/564091200.db2.gz YILMSOSNBRMZDD-SNVBAGLBSA-N 1 0 334.769 4.029 50 0 EIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2)N3)C1 ZINC000006594382 564092525 /nfs/dbraw/zinc/09/25/25/564092525.db2.gz KHYZJXLSWMHELY-OAHLLOKOSA-N 1 0 347.871 4.208 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(Cl)cc2Br)C1 ZINC000004914382 564093181 /nfs/dbraw/zinc/09/31/81/564093181.db2.gz PGSAWZZSNKSORV-TXEJJXNPSA-N 1 0 346.696 4.459 50 0 EIAARO Cc1cc(C)c(OCC[N@H+]2CCC[C@@H](C)C2)c(Br)c1 ZINC000004906901 564093190 /nfs/dbraw/zinc/09/31/90/564093190.db2.gz ZFQKZRDILMMXGJ-GFCCVEGCSA-N 1 0 326.278 4.177 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1F ZINC000006877211 564100362 /nfs/dbraw/zinc/10/03/62/564100362.db2.gz DSTAPRDLKCCNDP-UHFFFAOYSA-N 1 0 347.478 4.110 50 0 EIAARO Cc1cc(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)sc1C ZINC000036397235 564100692 /nfs/dbraw/zinc/10/06/92/564100692.db2.gz YAGVSPAFORXAOR-UHFFFAOYSA-N 1 0 330.497 4.135 50 0 EIAARO CC(=O)Nc1ccc(C(=O)[C@@H](C)[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000036435335 564101477 /nfs/dbraw/zinc/10/14/77/564101477.db2.gz LQHAXQKJRFKEHW-DYVFJYSZSA-N 1 0 342.464 4.115 50 0 EIAARO O=C(NCC[NH+]1CCCCC1)c1cc2cn(C3CCCC3)cc2s1 ZINC000065285821 564104319 /nfs/dbraw/zinc/10/43/19/564104319.db2.gz XJNVDWJKCFETKV-UHFFFAOYSA-N 1 0 345.512 4.034 50 0 EIAARO CC(C)[NH+]1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC000065500084 564106546 /nfs/dbraw/zinc/10/65/46/564106546.db2.gz RBRZFINSUYTZRS-UHFFFAOYSA-N 1 0 331.463 4.432 50 0 EIAARO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1cncc(F)c1 ZINC000089669094 564113038 /nfs/dbraw/zinc/11/30/38/564113038.db2.gz FDJQGEMCRRPTSU-CYBMUJFWSA-N 1 0 342.443 4.023 50 0 EIAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000076056370 564115054 /nfs/dbraw/zinc/11/50/54/564115054.db2.gz FNWJCNKFBWSMCV-IGCXYCKISA-N 1 0 340.870 4.023 50 0 EIAARO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1-n1cccn1 ZINC000089909880 564115258 /nfs/dbraw/zinc/11/52/58/564115258.db2.gz XXCINKABCYJGMA-AWEZNQCLSA-N 1 0 338.480 4.447 50 0 EIAARO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000076082238 564115421 /nfs/dbraw/zinc/11/54/21/564115421.db2.gz GTKSAFUNXMBERJ-DYVFJYSZSA-N 1 0 334.257 4.142 50 0 EIAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000089948699 564115729 /nfs/dbraw/zinc/11/57/29/564115729.db2.gz UFWSIRDZPDKLCM-DXCKQFNASA-N 1 0 342.405 4.003 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOCCSc2ccc(Cl)cc2)C1 ZINC000002824022 564117027 /nfs/dbraw/zinc/11/70/27/564117027.db2.gz SFMLQAVQSGBTMM-GASCZTMLSA-N 1 0 327.921 4.427 50 0 EIAARO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)C12CCC2 ZINC000236878131 564117693 /nfs/dbraw/zinc/11/76/93/564117693.db2.gz YWMPIMYNRMSNPP-ZIAGYGMSSA-N 1 0 331.428 4.173 50 0 EIAARO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000194955720 564122639 /nfs/dbraw/zinc/12/26/39/564122639.db2.gz RGKVBYGSOFLQSW-MNOVXSKESA-N 1 0 341.377 4.180 50 0 EIAARO C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cc(Cl)ccc1F ZINC000007878866 564124299 /nfs/dbraw/zinc/12/42/99/564124299.db2.gz BWNAFHKJMLZDGV-SNVBAGLBSA-N 1 0 338.835 4.098 50 0 EIAARO Cc1c(-c2ccc(F)cc2)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O ZINC000136886070 564129536 /nfs/dbraw/zinc/12/95/36/564129536.db2.gz NESLREWVIZMJAL-UHFFFAOYSA-N 1 0 345.781 4.383 50 0 EIAARO CC(C)(C)OC(=O)Nc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000253370122 564130310 /nfs/dbraw/zinc/13/03/10/564130310.db2.gz MJNSRTOJKIISKU-IRXDYDNUSA-N 1 0 331.460 4.072 50 0 EIAARO Clc1ccc(-c2noc(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)n2)cc1 ZINC000253388653 564130405 /nfs/dbraw/zinc/13/04/05/564130405.db2.gz BSYRCJUYJNQRAO-HIFRSBDPSA-N 1 0 331.847 4.402 50 0 EIAARO COc1ccc(C)cc1NC(=O)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000079065316 564137766 /nfs/dbraw/zinc/13/77/66/564137766.db2.gz SZLOATODEVANAI-UHFFFAOYSA-N 1 0 340.467 4.243 50 0 EIAARO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)o1 ZINC000095419410 564139785 /nfs/dbraw/zinc/13/97/85/564139785.db2.gz NOZQKQSGAGPWKX-HOTGVXAUSA-N 1 0 339.439 4.312 50 0 EIAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095419569 564139844 /nfs/dbraw/zinc/13/98/44/564139844.db2.gz SONTWINKMISDTL-XOBRGWDASA-N 1 0 335.451 4.309 50 0 EIAARO CC(C)C[C@@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccccn1 ZINC000095420487 564139931 /nfs/dbraw/zinc/13/99/31/564139931.db2.gz XBCLLRVVKXUBFU-HXUWFJFHSA-N 1 0 338.499 4.344 50 0 EIAARO COCc1cc(C[NH2+][C@@H](C)c2cnc3ccsc3c2)ccc1F ZINC000095422711 564140075 /nfs/dbraw/zinc/14/00/75/564140075.db2.gz RWTYSHSATHZHCD-LBPRGKRZSA-N 1 0 330.428 4.433 50 0 EIAARO Cc1ccccc1[C@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000095967945 564143167 /nfs/dbraw/zinc/14/31/67/564143167.db2.gz PGRAQIQGWPHNQE-FOIQADDNSA-N 1 0 343.492 4.200 50 0 EIAARO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(Cl)ccc1F ZINC000095982952 564143772 /nfs/dbraw/zinc/14/37/72/564143772.db2.gz IHWIQBIAOQDTMF-UHFFFAOYSA-N 1 0 346.833 4.370 50 0 EIAARO C[C@@H]1C[C@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CCO1 ZINC000095988707 564144117 /nfs/dbraw/zinc/14/41/17/564144117.db2.gz LXUSBTLCHVUBAI-IAGOWNOFSA-N 1 0 344.499 4.205 50 0 EIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1C ZINC000096489630 564148735 /nfs/dbraw/zinc/14/87/35/564148735.db2.gz SDNGPPJGHXBTAY-MRXNPFEDSA-N 1 0 338.455 4.041 50 0 EIAARO COC[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000225634540 564150051 /nfs/dbraw/zinc/15/00/51/564150051.db2.gz AWIJRQAEDGCWHS-IBGZPJMESA-N 1 0 340.398 4.001 50 0 EIAARO O=C(C[NH2+]CC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000002633038 564151499 /nfs/dbraw/zinc/15/14/99/564151499.db2.gz WMHBCHCQKFJMIX-UHFFFAOYSA-N 1 0 348.796 4.467 50 0 EIAARO Cc1sc2nc(CN3CCC[C@H]3c3cccs3)nc(N)c2c1C ZINC000057270833 564153439 /nfs/dbraw/zinc/15/34/39/564153439.db2.gz DYYPZLULDLJBDB-LBPRGKRZSA-N 1 0 344.509 4.289 50 0 EIAARO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000057574301 564155010 /nfs/dbraw/zinc/15/50/10/564155010.db2.gz ZCRGPQLJBRKMLU-MLGOLLRUSA-N 1 0 336.888 4.147 50 0 EIAARO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C)sc1C ZINC000353552966 564157019 /nfs/dbraw/zinc/15/70/19/564157019.db2.gz ABOGEGXZIVDQQA-ZIFCJYIRSA-N 1 0 330.497 4.201 50 0 EIAARO S=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1Cl ZINC000003336565 564157447 /nfs/dbraw/zinc/15/74/47/564157447.db2.gz RFPSUSUMEUNPRC-OAHLLOKOSA-N 1 0 349.887 4.057 50 0 EIAARO C[C@@H]1CCC[C@@H](C)N1Cn1nc2sc3ccccc3n2c1=S ZINC000003348575 564157561 /nfs/dbraw/zinc/15/75/61/564157561.db2.gz BWDRHCSBSLPDTB-VXGBXAGGSA-N 1 0 332.498 4.300 50 0 EIAARO Cc1ccc(NC(=S)NCC2([NH+]3CCCCC3)CCCCC2)cc1 ZINC000003358219 564157671 /nfs/dbraw/zinc/15/76/71/564157671.db2.gz ASHFGTGOSXXVMD-UHFFFAOYSA-N 1 0 345.556 4.470 50 0 EIAARO C[N@H+](CC(=O)Nc1ccccc1Cc1ccccc1)C1CCCCC1 ZINC000003434045 564158112 /nfs/dbraw/zinc/15/81/12/564158112.db2.gz VRJQGQYCUZTHAZ-UHFFFAOYSA-N 1 0 336.479 4.480 50 0 EIAARO Cc1cccc(NC(=S)NC[C@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000003439476 564158138 /nfs/dbraw/zinc/15/81/38/564158138.db2.gz XDOHMSOZBVLIAS-QGZVFWFLSA-N 1 0 343.496 4.020 50 0 EIAARO C[N@H+](CCCNC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000008115107 564162775 /nfs/dbraw/zinc/16/27/75/564162775.db2.gz YJHCPONPWOJWKR-UHFFFAOYSA-N 1 0 332.447 4.092 50 0 EIAARO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCCCCC1 ZINC000008338884 564164574 /nfs/dbraw/zinc/16/45/74/564164574.db2.gz QEXMTYHWYYXLGC-CYBMUJFWSA-N 1 0 328.378 4.299 50 0 EIAARO CSc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000066990189 564164912 /nfs/dbraw/zinc/16/49/12/564164912.db2.gz KEEPAQGWGFEVIC-INIZCTEOSA-N 1 0 342.508 4.096 50 0 EIAARO CCCC[N@H+](CC)Cc1c(C)[nH]c2ccc(C(=O)OCC)cc2c1=O ZINC000008714125 564166663 /nfs/dbraw/zinc/16/66/63/564166663.db2.gz WPAVHFBKCXRFEJ-UHFFFAOYSA-N 1 0 344.455 4.048 50 0 EIAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@H+]1CCC[C@@H](C)C1 ZINC000008714160 564166687 /nfs/dbraw/zinc/16/66/87/564166687.db2.gz SOAHYGFICXUGFS-LLVKDONJSA-N 1 0 349.272 4.243 50 0 EIAARO Cc1csc(=O)n1CC[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000040091295 564167987 /nfs/dbraw/zinc/16/79/87/564167987.db2.gz ADAAHXIHMOGPMR-UHFFFAOYSA-N 1 0 338.476 4.017 50 0 EIAARO c1cc2c(ncnc2NCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000009365078 564173009 /nfs/dbraw/zinc/17/30/09/564173009.db2.gz FFZCQCJEDDULOB-UHFFFAOYSA-N 1 0 338.480 4.289 50 0 EIAARO Cc1c2c(c(C)n1-c1ccccc1)[C@]1(CC(=O)CC(C)(C)C1)[NH2+]CC2 ZINC000009378970 564173179 /nfs/dbraw/zinc/17/31/79/564173179.db2.gz UAOHYPBNSCOENB-JOCHJYFZSA-N 1 0 336.479 4.214 50 0 EIAARO Cc1c[nH]nc1CN[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000289400485 1021382890 /nfs/dbraw/zinc/38/28/90/1021382890.db2.gz AFIYFNAYKNJSFQ-CQSZACIVSA-N 1 0 342.443 4.148 50 0 EIAARO c1cncc(-c2noc(CC[C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)c1 ZINC000257177967 1022608699 /nfs/dbraw/zinc/60/86/99/1022608699.db2.gz YORIOSYHIMNTDM-MRXNPFEDSA-N 1 0 340.471 4.109 50 0 EIAARO CCCCC(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257188008 1022708491 /nfs/dbraw/zinc/70/84/91/1022708491.db2.gz CZGVAFDWRLSWMZ-FQEVSTJZSA-N 1 0 328.500 4.251 50 0 EIAARO CCCn1c(C)cnc1C[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000581816951 1022860349 /nfs/dbraw/zinc/86/03/49/1022860349.db2.gz UBYYBKJHQDPWGY-GOSISDBHSA-N 1 0 329.463 4.195 50 0 EIAARO Brc1ccccc1OCCCCC[NH+]1CCCCC1 ZINC000002494397 1023090636 /nfs/dbraw/zinc/09/06/36/1023090636.db2.gz OMDNYFMKAQDORD-UHFFFAOYSA-N 1 0 326.278 4.484 50 0 EIAARO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)CCSc2ccccc2)C1 ZINC000107157856 1024070460 /nfs/dbraw/zinc/07/04/60/1024070460.db2.gz GKVCLBCFBQHXGF-MSOLQXFVSA-N 1 0 348.556 4.042 50 0 EIAARO C[C@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cnc(-c2ccccc2)o1 ZINC000888099071 1026016615 /nfs/dbraw/zinc/01/66/15/1026016615.db2.gz VAYSPOUIZJESGA-LPHOPBHVSA-N 1 0 336.435 4.158 50 0 EIAARO Cc1nc([C@@H]2CC23CC[NH+](Cc2ccc(C(C)C)cc2)CC3)no1 ZINC000257196528 1036643333 /nfs/dbraw/zinc/64/33/33/1036643333.db2.gz YJHGVSMLZGKCKH-SFHVURJKSA-N 1 0 325.456 4.271 50 0 EIAARO Cc1ccccc1NC(=O)CC[NH2+][C@H](C)CCc1c[nH]c2ccccc12 ZINC000821175193 1043917520 /nfs/dbraw/zinc/91/75/20/1043917520.db2.gz FJSHCGXMXBCWBG-QGZVFWFLSA-N 1 0 349.478 4.416 50 0 EIAARO COc1ccc(C[N@@H+](Cc2ccsc2)C[C@H]2CCCO2)cc1F ZINC000824721367 1044523554 /nfs/dbraw/zinc/52/35/54/1044523554.db2.gz KHBRFAJEXUFZEO-MRXNPFEDSA-N 1 0 335.444 4.077 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000575544961 1045253802 /nfs/dbraw/zinc/25/38/02/1045253802.db2.gz CYFHDVPECIKYSO-INIZCTEOSA-N 1 0 348.450 4.028 50 0 EIAARO C[C@@H](c1ccc(CN(C)Cc2nnc3ccccn32)cc1)C(F)(F)F ZINC000585086745 1049456469 /nfs/dbraw/zinc/45/64/69/1049456469.db2.gz CAZKJUWUWBPUQR-ZDUSSCGKSA-N 1 0 348.372 4.027 50 0 EIAARO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3coc(C4CCC4)n3)c2C1 ZINC000192801041 1049509509 /nfs/dbraw/zinc/50/95/09/1049509509.db2.gz RKQWXRBXHYPZPB-UHFFFAOYSA-N 1 0 339.439 4.166 50 0 EIAARO COc1cc([C@H](C)[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)ccn1 ZINC000952845216 1049676057 /nfs/dbraw/zinc/67/60/57/1049676057.db2.gz GUCQCPTXNUGLOR-AWEZNQCLSA-N 1 0 345.874 4.063 50 0 EIAARO c1nc(C2CCCCC2)sc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000952845978 1049676357 /nfs/dbraw/zinc/67/63/57/1049676357.db2.gz XHGBHJFAXOLKSW-OAHLLOKOSA-N 1 0 328.481 4.457 50 0 EIAARO C[C@@H](c1ccncc1)[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000952965896 1049683412 /nfs/dbraw/zinc/68/34/12/1049683412.db2.gz SDYMDUNUBQFRJM-ZDUSSCGKSA-N 1 0 326.831 4.318 50 0 EIAARO CN(Cc1ccc([C@H]2CCCCO2)o1)Cc1ccc2nsnc2c1 ZINC000952988803 1049692672 /nfs/dbraw/zinc/69/26/72/1049692672.db2.gz SIIGRBSOSVVXRQ-QGZVFWFLSA-N 1 0 343.452 4.158 50 0 EIAARO CCC(=O)N1CCC([N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000581802928 1060003997 /nfs/dbraw/zinc/00/39/97/1060003997.db2.gz OXQNYYLIPYEXJR-OAQYLSRUSA-N 1 0 340.511 4.395 50 0 EIAARO Cc1cnc(-c2ccncc2)n1[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000581806863 1060016961 /nfs/dbraw/zinc/01/69/61/1060016961.db2.gz BHVPWMDQQXMIHN-OAQYLSRUSA-N 1 0 346.478 4.399 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581806952 1060018457 /nfs/dbraw/zinc/01/84/57/1060018457.db2.gz FHTFESIANFFQOG-GOSISDBHSA-N 1 0 329.488 4.203 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)CC2CCCCC2)CC1 ZINC000581808766 1060020778 /nfs/dbraw/zinc/02/07/78/1060020778.db2.gz KZIVHVNSWSKVIB-UHFFFAOYSA-N 1 0 329.488 4.203 50 0 EIAARO CCCn1c(C)cnc1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000581816952 1060025894 /nfs/dbraw/zinc/02/58/94/1060025894.db2.gz UBYYBKJHQDPWGY-SFHVURJKSA-N 1 0 329.463 4.195 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)cc1OC ZINC000054992183 214263937 /nfs/dbraw/zinc/26/39/37/214263937.db2.gz PIMJBNBLUMZCLH-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO COc1ccc([C@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(C)cc2)cc1Cl ZINC000006922810 201706661 /nfs/dbraw/zinc/70/66/61/201706661.db2.gz GJASQCPZJSUPBP-IAGOWNOFSA-N 1 0 343.854 4.185 50 0 EIAARO Cc1c([C@@H](C)[NH2+]C2CCSCC2)cnn1-c1ccc(F)cc1F ZINC000012026743 201821880 /nfs/dbraw/zinc/82/18/80/201821880.db2.gz YPXMQRXZKRNLBC-LLVKDONJSA-N 1 0 337.439 4.005 50 0 EIAARO C[C@H]1C[N@H+](CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1 ZINC000003783617 210075260 /nfs/dbraw/zinc/07/52/60/210075260.db2.gz LVVHEFJXPXAUDD-BULFRSBZSA-N 1 0 345.527 4.323 50 0 in-vivo EIAARO COc1cccc(NC(=O)[C@H]([NH2+]CCC(C)C)c2ccccc2)c1 ZINC000003375248 210021701 /nfs/dbraw/zinc/02/17/01/210021701.db2.gz TUGIETVITRMFQM-LJQANCHMSA-N 1 0 326.440 4.011 50 0 EIAARO c1cc(OC2CCCC2)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019787862 202021277 /nfs/dbraw/zinc/02/12/77/202021277.db2.gz JWEOVNMKXJXZKD-LJQANCHMSA-N 1 0 328.500 4.068 50 0 EIAARO Clc1ccccc1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000019788052 202021526 /nfs/dbraw/zinc/02/15/26/202021526.db2.gz FBMFTEOUAOEHTL-UHFFFAOYSA-N 1 0 328.887 4.090 50 0 EIAARO c1cc(OC2CCCC2)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019787864 202021531 /nfs/dbraw/zinc/02/15/31/202021531.db2.gz JWEOVNMKXJXZKD-IBGZPJMESA-N 1 0 328.500 4.068 50 0 EIAARO CCOC(=O)C1(CC2CC2)CC[NH+]([C@@H](C)Cc2ccc(F)cc2)CC1 ZINC000019836661 202022700 /nfs/dbraw/zinc/02/27/00/202022700.db2.gz XADKAGVPVNJLAP-INIZCTEOSA-N 1 0 347.474 4.202 50 0 EIAARO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)CCc1ccccc1 ZINC000019881432 202025833 /nfs/dbraw/zinc/02/58/33/202025833.db2.gz QPPHMXJRSSJEIS-UHFFFAOYSA-N 1 0 337.419 4.284 50 0 EIAARO O[C@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000019990569 202028955 /nfs/dbraw/zinc/02/89/55/202028955.db2.gz DHFKOHSBFPYHRO-GOSISDBHSA-N 1 0 327.811 4.423 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)c1ccccc1 ZINC000020312634 202037755 /nfs/dbraw/zinc/03/77/55/202037755.db2.gz BYJGOCWNKCACRL-FDDCHVKYSA-N 1 0 347.458 4.477 50 0 EIAARO Cc1nc(CC[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)cs1 ZINC000020455673 202043180 /nfs/dbraw/zinc/04/31/80/202043180.db2.gz WFOGFGKLJTXAII-UHFFFAOYSA-N 1 0 336.888 4.191 50 0 EIAARO COc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000020535165 202047866 /nfs/dbraw/zinc/04/78/66/202047866.db2.gz JRESHMHIWXYLIT-LJQANCHMSA-N 1 0 344.886 4.103 50 0 EIAARO CC[C@@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868803 202055675 /nfs/dbraw/zinc/05/56/75/202055675.db2.gz KAYFXOWCCDAIGV-FGZHOGPDSA-N 1 0 339.479 4.260 50 0 EIAARO CC[NH+](CC)CCSc1ccc(C(=O)Nc2ccc(C)cc2)cn1 ZINC000021663604 202068107 /nfs/dbraw/zinc/06/81/07/202068107.db2.gz XVWGWFRSEFKFAH-UHFFFAOYSA-N 1 0 343.496 4.076 50 0 EIAARO O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170378 202063635 /nfs/dbraw/zinc/06/36/35/202063635.db2.gz LOYPXMYWNUQWTF-GOSISDBHSA-N 1 0 334.891 4.211 50 0 EIAARO COc1ccc(C[NH2+][C@H](C)CC(C)(C)c2ccc(C)o2)cc1OC ZINC000022077600 202079221 /nfs/dbraw/zinc/07/92/21/202079221.db2.gz LTUAVHZKSHKCTF-CQSZACIVSA-N 1 0 331.456 4.451 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000021718163 202069600 /nfs/dbraw/zinc/06/96/00/202069600.db2.gz WUDUMBMRFGJOQH-QZTJIDSGSA-N 1 0 343.515 4.217 50 0 EIAARO Cc1ccc2[nH]cc([C@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000021793103 202071029 /nfs/dbraw/zinc/07/10/29/202071029.db2.gz BFKMFCLYFYDDMF-HSZRJFAPSA-N 1 0 348.490 4.464 50 0 EIAARO c1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc(OC2CCCC2)c1 ZINC000022913731 202095731 /nfs/dbraw/zinc/09/57/31/202095731.db2.gz ITQJFHJVAXZRKJ-LJQANCHMSA-N 1 0 328.500 4.068 50 0 EIAARO C[C@H]1CCc2sc(C(=O)Nc3ccccc3C[NH+](C)C)cc2C1 ZINC000024812750 202121782 /nfs/dbraw/zinc/12/17/82/202121782.db2.gz CJWKOGGZWLRRRF-ZDUSSCGKSA-N 1 0 328.481 4.187 50 0 EIAARO C[NH+](C)[C@@H](CNc1ncnc2c3ccccc3oc21)c1ccccc1 ZINC000023709132 202108161 /nfs/dbraw/zinc/10/81/61/202108161.db2.gz VLNWQBRWOBFNBM-INIZCTEOSA-N 1 0 332.407 4.091 50 0 EIAARO C[NH+](C)Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000023899123 202110160 /nfs/dbraw/zinc/11/01/60/202110160.db2.gz HDVGUNXETADROK-UHFFFAOYSA-N 1 0 328.481 4.331 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1occc1-c1ccccc1)c1ccsc1 ZINC000025332189 202129583 /nfs/dbraw/zinc/12/95/83/202129583.db2.gz FFFCIFLFVFRLRK-KRWDZBQOSA-N 1 0 340.448 4.041 50 0 EIAARO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3Cc3ccccc3)n2)cc1 ZINC000025358823 202129912 /nfs/dbraw/zinc/12/99/12/202129912.db2.gz IPWSEECHASZGCW-GOSISDBHSA-N 1 0 337.398 4.083 50 0 EIAARO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(-n2cncn2)cc1 ZINC000026314663 202141638 /nfs/dbraw/zinc/14/16/38/202141638.db2.gz LVKUEJBSVINMKM-LBPRGKRZSA-N 1 0 347.249 4.425 50 0 EIAARO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000026925079 202150283 /nfs/dbraw/zinc/15/02/83/202150283.db2.gz IMAQKGOLDAOMPC-INIZCTEOSA-N 1 0 348.446 4.405 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027793179 202159912 /nfs/dbraw/zinc/15/99/12/202159912.db2.gz JZXPLEVNMGNKFG-LJQANCHMSA-N 1 0 342.870 4.215 50 0 EIAARO COc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCCC3)c(F)c1 ZINC000027788653 202160010 /nfs/dbraw/zinc/16/00/10/202160010.db2.gz RNNSMTSXVPASSH-UHFFFAOYSA-N 1 0 337.418 4.306 50 0 EIAARO COc1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)cc(OC)c1OC ZINC000039985616 202166771 /nfs/dbraw/zinc/16/67/71/202166771.db2.gz DXISTWNMQMYDLA-LJQANCHMSA-N 1 0 329.440 4.199 50 0 EIAARO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cc(OC)c1OC ZINC000039979627 202167174 /nfs/dbraw/zinc/16/71/74/202167174.db2.gz IMBLOKVOKWQGAT-HOTGVXAUSA-N 1 0 335.488 4.407 50 0 EIAARO CC[NH+]1CCN(c2ccc(NC(=O)CC3CCCCC3)c(C)c2)CC1 ZINC000029373782 202184981 /nfs/dbraw/zinc/18/49/81/202184981.db2.gz JJTQQQIKFCEBAP-UHFFFAOYSA-N 1 0 343.515 4.046 50 0 EIAARO C[C@@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000028889440 202178779 /nfs/dbraw/zinc/17/87/79/202178779.db2.gz IESFBCAGSXPKFT-MRXNPFEDSA-N 1 0 333.435 4.047 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCC[C@@](O)(c1ccccc1)c1cccnc1 ZINC000029550745 202189679 /nfs/dbraw/zinc/18/96/79/202189679.db2.gz NPQAWCNDVWTXAM-WOIUINJBSA-N 1 0 338.495 4.361 50 0 EIAARO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029482830 202187687 /nfs/dbraw/zinc/18/76/87/202187687.db2.gz GWWIUPIZRBBSFT-HXUWFJFHSA-N 1 0 336.479 4.369 50 0 EIAARO C[N@H+](CC(=O)Nc1cccc2ccccc21)[C@H]1CCc2ccccc21 ZINC000029482600 202188308 /nfs/dbraw/zinc/18/83/08/202188308.db2.gz MNKBVOOJNXDRPS-NRFANRHFSA-N 1 0 330.431 4.398 50 0 EIAARO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000032934683 202243617 /nfs/dbraw/zinc/24/36/17/202243617.db2.gz RBVXJILMPRYVMM-GFCCVEGCSA-N 1 0 332.275 4.091 50 0 EIAARO c1ccc(C[N@@H+]2CC[C@@H](Nc3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033010784 202247532 /nfs/dbraw/zinc/24/75/32/202247532.db2.gz ORQCPTYXOKEATH-MRXNPFEDSA-N 1 0 344.418 4.062 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1C ZINC000036096897 202313813 /nfs/dbraw/zinc/31/38/13/202313813.db2.gz BTGWXGZFTMGJDO-ICSRJNTNSA-N 1 0 327.468 4.035 50 0 EIAARO Cc1cccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C2CC2)c1 ZINC000036098836 202314616 /nfs/dbraw/zinc/31/46/16/202314616.db2.gz KEBZTJHIPQSOOK-IBGZPJMESA-N 1 0 345.870 4.053 50 0 EIAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037560639 202346812 /nfs/dbraw/zinc/34/68/12/202346812.db2.gz ZMRPEVAFBKVCCE-UHFFFAOYSA-N 1 0 336.479 4.403 50 0 EIAARO c1ccc(CNc2nc(Nc3cc[nH+]cc3)nc3ccccc32)cc1 ZINC000041151048 202474876 /nfs/dbraw/zinc/47/48/76/202474876.db2.gz TYCUZSHSZSFPHB-UHFFFAOYSA-N 1 0 327.391 4.381 50 0 EIAARO CSc1ccccc1C[NH+]1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000072433837 216228632 /nfs/dbraw/zinc/22/86/32/216228632.db2.gz HWEAOTNNINVMFR-HXUWFJFHSA-N 1 0 341.520 4.224 50 0 EIAARO COc1ccc2ccccc2c1C[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000022925587 212336581 /nfs/dbraw/zinc/33/65/81/212336581.db2.gz DXFNBOIYPQEZEY-NRFANRHFSA-N 1 0 334.463 4.241 50 0 EIAARO COc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)cc(OC)c1OC ZINC000022781596 212323048 /nfs/dbraw/zinc/32/30/48/212323048.db2.gz HJINAYCDMYDJAC-LBPRGKRZSA-N 1 0 335.831 4.217 50 0 EIAARO Clc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)c1Cl ZINC000022130765 212278160 /nfs/dbraw/zinc/27/81/60/212278160.db2.gz LRTAEWIIYOUKFW-INIZCTEOSA-N 1 0 335.278 4.358 50 0 EIAARO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000215107761 241105074 /nfs/dbraw/zinc/10/50/74/241105074.db2.gz XNXGMBFRLZTMCV-HXUWFJFHSA-N 1 0 349.478 4.237 50 0 EIAARO COc1cc(OC)c(C[NH+]2CCCCCCC2)cc1Br ZINC000000240698 201453048 /nfs/dbraw/zinc/45/30/48/201453048.db2.gz ADQLPWPKUPYZQO-UHFFFAOYSA-N 1 0 342.277 4.232 50 0 EIAARO CC[NH+](CC)CCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000001771427 201519994 /nfs/dbraw/zinc/51/99/94/201519994.db2.gz ICSZZKJAACPKQV-UHFFFAOYSA-N 1 0 334.467 4.441 50 0 EIAARO C[NH+](C)Cc1ccccc1[C@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000004760189 201618301 /nfs/dbraw/zinc/61/83/01/201618301.db2.gz OCTZKNCAOSCYOX-QHCPKHFHSA-N 1 0 343.426 4.211 50 0 EIAARO COc1ccccc1[C@@H](C(=O)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000004899094 201625239 /nfs/dbraw/zinc/62/52/39/201625239.db2.gz MQNXBEOUQSAJES-PZJWPPBQSA-N 1 0 335.447 4.004 50 0 EIAARO CC(=O)c1cccc(NC(=O)[C@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000006552487 201684167 /nfs/dbraw/zinc/68/41/67/201684167.db2.gz OWIGBOWNLMZDBC-HXUWFJFHSA-N 1 0 336.435 4.101 50 0 EIAARO CCn1cc(-c2c(-c3ccccc3)ncn2C2CC[NH+](C)CC2)c(C)n1 ZINC000065371707 202839571 /nfs/dbraw/zinc/83/95/71/202839571.db2.gz YJAQHCBJHAVFPR-UHFFFAOYSA-N 1 0 349.482 4.009 50 0 EIAARO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)sc1-c1ccc(F)cc1 ZINC000069568704 203020712 /nfs/dbraw/zinc/02/07/12/203020712.db2.gz JTJZGFKNXIQMBL-UHFFFAOYSA-N 1 0 346.471 4.029 50 0 EIAARO Fc1ccc(C2([NH2+]Cc3ccc(Cl)s3)CCOCC2)cc1 ZINC000069589464 203023831 /nfs/dbraw/zinc/02/38/31/203023831.db2.gz VQNZRRXCURDMNN-UHFFFAOYSA-N 1 0 325.836 4.336 50 0 EIAARO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000070038307 203071324 /nfs/dbraw/zinc/07/13/24/203071324.db2.gz TUPKSIBPPWBJBF-QFIPXVFZSA-N 1 0 348.490 4.384 50 0 EIAARO FC(F)(F)c1ccc(N2CCC[N@H+](CC3CCCCC3)CC2)nc1 ZINC000071793198 203112607 /nfs/dbraw/zinc/11/26/07/203112607.db2.gz ZVUBGZWQYWLSRZ-UHFFFAOYSA-N 1 0 341.421 4.193 50 0 EIAARO CC(C)c1nc(CN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]3)s2)cs1 ZINC000071416260 203095394 /nfs/dbraw/zinc/09/53/94/203095394.db2.gz QNFIVMWYBAFUJT-ZDUSSCGKSA-N 1 0 349.525 4.025 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@@H](CCc3ccccc3F)C2)ccc1O ZINC000071776237 203113281 /nfs/dbraw/zinc/11/32/81/203113281.db2.gz GPHGBPPHTHSNGL-INIZCTEOSA-N 1 0 343.442 4.385 50 0 EIAARO CC(=O)c1cc(-c2cc(O)cc(CC[C@@H]3CCCC[NH2+]3)c2)ccc1O ZINC000071760138 203109478 /nfs/dbraw/zinc/10/94/78/203109478.db2.gz ZDYCTOQJHGKISC-SFHVURJKSA-N 1 0 339.435 4.042 50 0 EIAARO Cc1cc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)c(C)o1 ZINC000071850966 203128810 /nfs/dbraw/zinc/12/88/10/203128810.db2.gz ZACRQKPRKFMXFF-UHFFFAOYSA-N 1 0 344.480 4.006 50 0 EIAARO C[NH+](C)[C@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000072111957 203162536 /nfs/dbraw/zinc/16/25/36/203162536.db2.gz ZGMBBQLRRAZKBR-CQSZACIVSA-N 1 0 343.780 4.469 50 0 EIAARO CC(C)c1nccc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)n1 ZINC000072137009 203168372 /nfs/dbraw/zinc/16/83/72/203168372.db2.gz PCTPXAJQJWXGPV-IBGZPJMESA-N 1 0 339.483 4.293 50 0 EIAARO CC[NH+](CC)[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 ZINC000072303403 203197840 /nfs/dbraw/zinc/19/78/40/203197840.db2.gz IKUHQWVBLNZFSB-SFHVURJKSA-N 1 0 348.918 4.095 50 0 EIAARO CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[NH2+]1 ZINC000072343426 203203749 /nfs/dbraw/zinc/20/37/49/203203749.db2.gz KOASFUDFEFWKPR-CQSZACIVSA-N 1 0 330.497 4.114 50 0 EIAARO C[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000076091957 203337319 /nfs/dbraw/zinc/33/73/19/203337319.db2.gz JRFTUAVOCSOEDB-SNVBAGLBSA-N 1 0 332.275 4.091 50 0 EIAARO COc1ccc(OC)c(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000019855968 212076032 /nfs/dbraw/zinc/07/60/32/212076032.db2.gz RDOPORLIDRGTEH-UHFFFAOYSA-N 1 0 340.250 4.343 50 0 EIAARO C[C@H]1CCCC[N@@H+]1C1CN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000077300149 203378571 /nfs/dbraw/zinc/37/85/71/203378571.db2.gz JPBVFVNBJSJEQJ-ZDUSSCGKSA-N 1 0 331.460 4.012 50 0 EIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2ccsc2)cc1 ZINC000077298629 203379020 /nfs/dbraw/zinc/37/90/20/203379020.db2.gz JSRNQUXICODFQW-GOSISDBHSA-N 1 0 328.481 4.177 50 0 EIAARO Cc1ccsc1-c1nccn1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000077358432 203383182 /nfs/dbraw/zinc/38/31/82/203383182.db2.gz KOPOGCJMZSVBEN-HNNXBMFYSA-N 1 0 327.453 4.350 50 0 EIAARO c1cnn(CCC2CC[NH+](Cc3ccc([C@@H]4CCCCO4)o3)CC2)c1 ZINC000077377759 203385202 /nfs/dbraw/zinc/38/52/02/203385202.db2.gz QMWQINJOVIFOJU-IBGZPJMESA-N 1 0 343.471 4.020 50 0 EIAARO C[C@@H](c1cccc(-c2ccc(C(=O)N(C)C)s2)c1)[NH+]1CCCC1 ZINC000096147993 203842539 /nfs/dbraw/zinc/84/25/39/203842539.db2.gz UPQKAQZLZJGEHF-AWEZNQCLSA-N 1 0 328.481 4.274 50 0 EIAARO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000106865707 204214512 /nfs/dbraw/zinc/21/45/12/204214512.db2.gz BQAPKQILMDHOEJ-WIYYLYMNSA-N 1 0 340.511 4.225 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000042959971 204184709 /nfs/dbraw/zinc/18/47/09/204184709.db2.gz UXGCFCGUDFTRPG-OLZOCXBDSA-N 1 0 327.350 4.189 50 0 EIAARO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(SC)cc2)cc1 ZINC000047719728 204340049 /nfs/dbraw/zinc/34/00/49/204340049.db2.gz CUCOEVLNLFFSIZ-UHFFFAOYSA-N 1 0 328.481 4.437 50 0 EIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCCCCC1 ZINC000006623731 205816259 /nfs/dbraw/zinc/81/62/59/205816259.db2.gz TXVCKPLAKGEHSN-VGUOSERISA-N 1 0 331.500 4.321 50 0 biogenic EIAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001473416 206289755 /nfs/dbraw/zinc/28/97/55/206289755.db2.gz KFETYTDHVXYSQF-SWLSCSKDSA-N 1 0 340.250 4.084 50 0 EIAARO CC(C)n1ccnc1C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000091427159 218004377 /nfs/dbraw/zinc/00/43/77/218004377.db2.gz TZDRAPBGRDETQF-UHFFFAOYSA-N 1 0 349.425 4.445 50 0 EIAARO COc1ccccc1[C@@H](C)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095421650 218363375 /nfs/dbraw/zinc/36/33/75/218363375.db2.gz KTSCLZSBZYGSNT-GJZGRUSLSA-N 1 0 326.440 4.108 50 0 EIAARO O=C1C[C@@H](C[NH2+][C@@H]2CCSc3ccc(F)cc32)c2ccccc2N1 ZINC000095423598 218366330 /nfs/dbraw/zinc/36/63/30/218366330.db2.gz QATPZMCCAIZREM-BLLLJJGKSA-N 1 0 342.439 4.078 50 0 EIAARO CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095969165 218473970 /nfs/dbraw/zinc/47/39/70/218473970.db2.gz WHSFKTQWMMDWNX-ZDUSSCGKSA-N 1 0 346.471 4.498 50 0 EIAARO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000012781165 207241400 /nfs/dbraw/zinc/24/14/00/207241400.db2.gz ZCUWFBKAIQGOHJ-OAHLLOKOSA-N 1 0 331.481 4.064 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+][C@@H](C)Cc3c(C)noc3C)oc21 ZINC000096493402 218870876 /nfs/dbraw/zinc/87/08/76/218870876.db2.gz RMBHCHRJRQYDGM-AAEUAGOBSA-N 1 0 328.412 4.328 50 0 EIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000245318999 258000237 /nfs/dbraw/zinc/00/02/37/258000237.db2.gz YZZLWRCPCIMEHR-BZIXAJQCSA-N 1 0 325.537 4.088 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000299791307 258096634 /nfs/dbraw/zinc/09/66/34/258096634.db2.gz CWEIKODHBCQVLF-LEWJYISDSA-N 1 0 349.478 4.350 50 0 EIAARO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057981344 132432939 /nfs/dbraw/zinc/43/29/39/132432939.db2.gz QVWVQCYNLGCBRY-LJQANCHMSA-N 1 0 330.859 4.319 50 0 EIAARO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(C)c1C ZINC000000293936 135648420 /nfs/dbraw/zinc/64/84/20/135648420.db2.gz BAQNWBRNGNXDHX-UHFFFAOYSA-N 1 0 344.886 4.288 50 0 EIAARO CCC[N@@H+](Cc1ccc(C)s1)C[C@H](O)COc1ccccc1C ZINC000036101495 521683573 /nfs/dbraw/zinc/68/35/73/521683573.db2.gz ZKESOYJUWCWXMJ-KRWDZBQOSA-N 1 0 333.497 4.017 50 0 EIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COC(C)(C)C)s1 ZINC000036101678 524403795 /nfs/dbraw/zinc/40/37/95/524403795.db2.gz PXGKVMFIJDEZIJ-MRXNPFEDSA-N 1 0 327.534 4.081 50 0 EIAARO Cc1ccc(C[C@@H](C)[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)s1 ZINC000095422775 524663052 /nfs/dbraw/zinc/66/30/52/524663052.db2.gz HJHLPGYMFNPAOV-CQSZACIVSA-N 1 0 336.545 4.004 50 0 EIAARO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3ccc(C)cc3)CC2)oc1C ZINC000095422337 526852802 /nfs/dbraw/zinc/85/28/02/526852802.db2.gz NHIVIVCLAUCJOW-QGZVFWFLSA-N 1 0 341.499 4.163 50 0 EIAARO Cc1ncc([C@H](C)[NH2+]Cc2cccc(NC(=O)c3ccco3)c2)s1 ZINC000090401444 527309936 /nfs/dbraw/zinc/30/99/36/527309936.db2.gz JBFVJSQRKSOUPZ-LBPRGKRZSA-N 1 0 341.436 4.148 50 0 EIAARO CC(C)[C@H](C)[N@H+](Cc1ccco1)Cc1cc(-c2ccncc2)no1 ZINC000244734918 534955948 /nfs/dbraw/zinc/95/59/48/534955948.db2.gz NNZCPTUOYUFZDZ-HNNXBMFYSA-N 1 0 325.412 4.376 50 0 EIAARO c1c(-c2ccccc2)nc2n1c1ccccc1n2CC[NH+]1CCCCC1 ZINC000000092815 563223150 /nfs/dbraw/zinc/22/31/50/563223150.db2.gz SCQUMIOUUYZKTQ-UHFFFAOYSA-N 1 0 344.462 4.442 50 0 EIAARO COc1cc(OC)c(C[NH2+]C2CCCCCC2)cc1Br ZINC000000293116 563274128 /nfs/dbraw/zinc/27/41/28/563274128.db2.gz VGSGZCPTLBYEGK-UHFFFAOYSA-N 1 0 342.277 4.279 50 0 EIAARO C[N@H+](CCOC(=O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000000302273 563276031 /nfs/dbraw/zinc/27/60/31/563276031.db2.gz JGEBLVBRCHWJFQ-UHFFFAOYSA-N 1 0 325.452 4.273 50 0 EIAARO C[C@@H](C[NH+]1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000550703 563344855 /nfs/dbraw/zinc/34/48/55/563344855.db2.gz IZESOZHYTXOOBW-SFHVURJKSA-N 1 0 337.463 4.236 50 0 EIAARO c1ccc(C2CCC3(CC2)NCC[NH+]=C3NC2CCCCCC2)cc1 ZINC000046153257 563364534 /nfs/dbraw/zinc/36/45/34/563364534.db2.gz ZVBJWGSODGCUTO-UHFFFAOYSA-N 1 0 339.527 4.397 50 0 biogenic EIAARO COc1cc(C)c(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000001227632 563380383 /nfs/dbraw/zinc/38/03/83/563380383.db2.gz PKNRHISBGMINQE-UHFFFAOYSA-N 1 0 338.495 4.251 50 0 EIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc(Cl)c1Cl ZINC000002171974 563425142 /nfs/dbraw/zinc/42/51/42/563425142.db2.gz XGLKWQDIKWHKBO-LBPRGKRZSA-N 1 0 344.286 4.379 50 0 EIAARO O=C(c1cccc(Br)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515060 563435856 /nfs/dbraw/zinc/43/58/56/563435856.db2.gz RYNJPCGDZLBCIU-UHFFFAOYSA-N 1 0 344.252 4.276 50 0 EIAARO Cc1cc(Br)ccc1OCCC[NH+]1CCCCCC1 ZINC000002838908 563454336 /nfs/dbraw/zinc/45/43/36/563454336.db2.gz ZGTODYPOZYUDQE-UHFFFAOYSA-N 1 0 326.278 4.402 50 0 EIAARO Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(C(C)(C)C)c1 ZINC000004834145 563512236 /nfs/dbraw/zinc/51/22/36/563512236.db2.gz ZYRFTJQXJSIMEL-SFHVURJKSA-N 1 0 333.516 4.297 50 0 EIAARO Cc1cc(Br)cc(C)c1OCC[NH+]1CCCCCC1 ZINC000004985970 563517486 /nfs/dbraw/zinc/51/74/86/563517486.db2.gz YOOWMMCGVKHNAC-UHFFFAOYSA-N 1 0 326.278 4.321 50 0 EIAARO COc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccc(C)cc1 ZINC000004999705 563518205 /nfs/dbraw/zinc/51/82/05/563518205.db2.gz HZFKHVVJNGYEII-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1cccc(C)c1 ZINC000004998071 563518228 /nfs/dbraw/zinc/51/82/28/563518228.db2.gz YNXLOOJMYFGTJQ-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO C[NH+]1CCC([C@@H](O)c2ccccc2Sc2ccccc2F)CC1 ZINC000005525422 563536906 /nfs/dbraw/zinc/53/69/06/563536906.db2.gz GRKVHVAIJHJDTA-LJQANCHMSA-N 1 0 331.456 4.352 50 0 EIAARO COc1ccccc1NC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006725658 563582687 /nfs/dbraw/zinc/58/26/87/563582687.db2.gz MHAQAQFGFJKCCG-UHFFFAOYSA-N 1 0 339.439 4.325 50 0 EIAARO CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)cc(Cl)c1OCC ZINC000007538526 563605151 /nfs/dbraw/zinc/60/51/51/563605151.db2.gz FYIKCRFVOKEWLD-UHFFFAOYSA-N 1 0 349.858 4.436 50 0 EIAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)cc1 ZINC000007541090 563605540 /nfs/dbraw/zinc/60/55/40/563605540.db2.gz DXKSNQHSLNEPAP-CQSZACIVSA-N 1 0 325.383 4.429 50 0 EIAARO CSc1ccc(CN2CCC([N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000002734445 563609754 /nfs/dbraw/zinc/60/97/54/563609754.db2.gz JAJAPLOTFAAULU-CALCHBBNSA-N 1 0 332.557 4.351 50 0 EIAARO COCC[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000011936479 563652344 /nfs/dbraw/zinc/65/23/44/563652344.db2.gz VLOKMWRWODVLAF-LJQANCHMSA-N 1 0 327.472 4.085 50 0 EIAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012304726 563657611 /nfs/dbraw/zinc/65/76/11/563657611.db2.gz MWTZCJSNENNJGD-MRXNPFEDSA-N 1 0 348.368 4.195 50 0 EIAARO CC[N@H+](CC=C(C)C)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012442650 563660703 /nfs/dbraw/zinc/66/07/03/563660703.db2.gz JHTMWRWEWLSFKH-HXUWFJFHSA-N 1 0 332.507 4.368 50 0 EIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccsc3)c2C)cc1 ZINC000012707622 563668297 /nfs/dbraw/zinc/66/82/97/563668297.db2.gz LQNVJTQPIMNKOO-CYBMUJFWSA-N 1 0 327.453 4.102 50 0 EIAARO COc1cc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)ccc1F ZINC000012764406 563670557 /nfs/dbraw/zinc/67/05/57/563670557.db2.gz LKXJRTYPFIKUAZ-CQSZACIVSA-N 1 0 339.414 4.179 50 0 EIAARO CC(C)[N@@H+](Cc1ccccc1)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000012993602 563683027 /nfs/dbraw/zinc/68/30/27/563683027.db2.gz PICVARVJEUJLDU-UHFFFAOYSA-N 1 0 330.815 4.116 50 0 EIAARO Cc1ccc(NC(=O)C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000014021424 563736526 /nfs/dbraw/zinc/73/65/26/563736526.db2.gz WTXJNJLHAODHAS-UHFFFAOYSA-N 1 0 326.484 4.082 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1 ZINC000014181516 563747339 /nfs/dbraw/zinc/74/73/39/563747339.db2.gz JDJQKECHSOOLQA-UHFFFAOYSA-N 1 0 344.886 4.041 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000014180150 563747362 /nfs/dbraw/zinc/74/73/62/563747362.db2.gz DJVKTDDORGVGFE-MRXNPFEDSA-N 1 0 337.250 4.026 50 0 EIAARO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000014232328 563753126 /nfs/dbraw/zinc/75/31/26/563753126.db2.gz PVCHQBZIZOZVJQ-INIZCTEOSA-N 1 0 342.458 4.499 50 0 EIAARO CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000015831616 563793448 /nfs/dbraw/zinc/79/34/48/563793448.db2.gz WMGOXBPDWYADAH-GOSISDBHSA-N 1 0 340.467 4.144 50 0 EIAARO c1ccc2[nH]c(SCC[NH2+]C3C4CC5CC(C4)CC3C5)nc2c1 ZINC000016310846 563808431 /nfs/dbraw/zinc/80/84/31/563808431.db2.gz KROKALWEYNMIPX-UHFFFAOYSA-N 1 0 327.497 4.069 50 0 EIAARO Cc1ccc(-c2cn3c([n+]2-c2ccc4c(c2)OCO4)CCCCC3)cc1 ZINC000017146702 563838462 /nfs/dbraw/zinc/83/84/62/563838462.db2.gz YQHMBQQDYOGFGN-UHFFFAOYSA-N 1 0 347.438 4.195 50 0 EIAARO COc1cccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000020274388 563858973 /nfs/dbraw/zinc/85/89/73/563858973.db2.gz ARZCSQAGILCZIX-UHFFFAOYSA-N 1 0 332.447 4.171 50 0 EIAARO CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027741252 563899355 /nfs/dbraw/zinc/89/93/55/563899355.db2.gz UGKNKMKDOLJJDF-HXUWFJFHSA-N 1 0 330.516 4.465 50 0 EIAARO Cc1cc(C)c(C[NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000072286596 563907468 /nfs/dbraw/zinc/90/74/68/563907468.db2.gz KZQDXZBEMADELV-NRFANRHFSA-N 1 0 327.468 4.222 50 0 EIAARO Brc1ccc(O[C@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042774892 563925008 /nfs/dbraw/zinc/92/50/08/563925008.db2.gz HGLJJCMVUQGTFT-HNNXBMFYSA-N 1 0 332.241 4.247 50 0 EIAARO CCOC(=O)CCCCCCC(=O)c1ccccc1C[NH+]1CCCC1 ZINC000043211597 563925409 /nfs/dbraw/zinc/92/54/09/563925409.db2.gz CXXHADIHCLKMME-UHFFFAOYSA-N 1 0 345.483 4.369 50 0 EIAARO Cc1cccc(C)c1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000071911715 563932270 /nfs/dbraw/zinc/93/22/70/563932270.db2.gz IGPYNVWOPXOSNE-RBUKOAKNSA-N 1 0 343.515 4.422 50 0 EIAARO COCc1ncc(C[N@H+](C)[C@H](CCC(C)C)c2ccccc2)cn1 ZINC000055036813 563933344 /nfs/dbraw/zinc/93/33/44/563933344.db2.gz SVYRHUNRRNMEQD-LJQANCHMSA-N 1 0 327.472 4.232 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1c(C)nc2ccc(Cl)cn21)Cc1ccncc1 ZINC000055099256 563933587 /nfs/dbraw/zinc/93/35/87/563933587.db2.gz JVAQTNGDMFPCRK-CQSZACIVSA-N 1 0 342.874 4.492 50 0 EIAARO CC(C)Oc1ccc2ccccc2c1C[NH2+]CCOc1ccccn1 ZINC000057356048 563935560 /nfs/dbraw/zinc/93/55/60/563935560.db2.gz XOEDYIGLUFHKJZ-UHFFFAOYSA-N 1 0 336.435 4.191 50 0 EIAARO c1cc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cs1 ZINC000057980102 563936181 /nfs/dbraw/zinc/93/61/81/563936181.db2.gz AXRZFYALGKAASH-UHFFFAOYSA-N 1 0 346.459 4.286 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)c1cccs1 ZINC000058417590 563945521 /nfs/dbraw/zinc/94/55/21/563945521.db2.gz SQFWPUGWZYXKHX-UHFFFAOYSA-N 1 0 328.481 4.054 50 0 EIAARO Cc1[nH]c2ccc(C(=O)NC[C@@H](C3CCCCC3)[NH+](C)C)cc2c1C ZINC000058475477 563946692 /nfs/dbraw/zinc/94/66/92/563946692.db2.gz ZFJSZMVSWPRNGK-FQEVSTJZSA-N 1 0 341.499 4.025 50 0 EIAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3C)c(=[NH2+])oc2c1 ZINC000004635296 563950782 /nfs/dbraw/zinc/95/07/82/563950782.db2.gz RKAFTOVYNIJLQR-UHFFFAOYSA-N 1 0 349.434 4.319 50 0 EIAARO Clc1ccc(-c2csc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000096484320 563955394 /nfs/dbraw/zinc/95/53/94/563955394.db2.gz FKLACJKOWPDBLI-JKSUJKDBSA-N 1 0 347.915 4.180 50 0 EIAARO Cc1cccc(-c2cc([C@@H]3CC[N@@H+](Cc4nccn4C)C3)ccn2)c1C ZINC000065385140 563959147 /nfs/dbraw/zinc/95/91/47/563959147.db2.gz MVGIJGLYFIYYJE-LJQANCHMSA-N 1 0 346.478 4.088 50 0 EIAARO C[C@H]([NH2+]Cc1csc2ccc(Cl)cc12)C(=O)NC1CCCC1 ZINC000065397682 563959737 /nfs/dbraw/zinc/95/97/37/563959737.db2.gz TUUQCFRCJZZKCN-NSHDSACASA-N 1 0 336.888 4.092 50 0 EIAARO Cn1ncc(C[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)CC2)c1C1CC1 ZINC000065508115 563961756 /nfs/dbraw/zinc/96/17/56/563961756.db2.gz TWVXAMNNAQYWNL-JOCHJYFZSA-N 1 0 349.478 4.128 50 0 EIAARO Cc1cc(C)c(C(=O)NCC2=CCC[N@@H+]([C@@H]3C=CCCC3)C2)c(C)c1 ZINC000065528277 563961842 /nfs/dbraw/zinc/96/18/42/563961842.db2.gz BFPYUYKPNQRRAZ-HXUWFJFHSA-N 1 0 338.495 4.082 50 0 EIAARO CC1=CC[C@@H]2C[N@H+](Cc3cnc4c(-c5ccccc5)cnn4c3)C[C@@H]2C1 ZINC000067879739 563962973 /nfs/dbraw/zinc/96/29/73/563962973.db2.gz SFMANXXHZIWARE-UXHICEINSA-N 1 0 344.462 4.184 50 0 EIAARO COc1cccc(-c2c[nH+]c(NCc3cccc(Cl)c3)n2C)c1 ZINC000004678586 563963876 /nfs/dbraw/zinc/96/38/76/563963876.db2.gz XXRUMQZRSWGYSQ-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO Cc1nnc(C[NH2+][C@H]2CCCC[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000097110959 563967980 /nfs/dbraw/zinc/96/79/80/563967980.db2.gz IPVUBBHYIFUVFG-ZFWWWQNUSA-N 1 0 339.361 4.213 50 0 EIAARO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000097162453 563968440 /nfs/dbraw/zinc/96/84/40/563968440.db2.gz NTNPVXVTTRAYEL-FZMZJTMJSA-N 1 0 340.254 4.082 50 0 EIAARO COc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000004772785 563974050 /nfs/dbraw/zinc/97/40/50/563974050.db2.gz MYLHJWVTMYGUNH-WIYYLYMNSA-N 1 0 343.442 4.137 50 0 EIAARO CSc1ccc2nc(N3CCC([C@H](C)[NH+](C)C)CC3)cc(C)c2c1 ZINC000096163217 563979862 /nfs/dbraw/zinc/97/98/62/563979862.db2.gz WBIUOLSHVLRTHB-HNNXBMFYSA-N 1 0 343.540 4.432 50 0 EIAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4cncn4C(C)C)CC3)nc21 ZINC000097173277 563981349 /nfs/dbraw/zinc/98/13/49/563981349.db2.gz IBMBKFXZWIFJLM-UHFFFAOYSA-N 1 0 337.471 4.028 50 0 EIAARO Cc1cncnc1C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000097546621 563981648 /nfs/dbraw/zinc/98/16/48/563981648.db2.gz UGXKMOIRIUTWAJ-UHFFFAOYSA-N 1 0 335.373 4.183 50 0 EIAARO O=C(c1cccc([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H]1c1ccccc1 ZINC000097758052 563981865 /nfs/dbraw/zinc/98/18/65/563981865.db2.gz ZRUYRBJAQNAVCP-SFTDATJTSA-N 1 0 334.463 4.131 50 0 EIAARO CCc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1 ZINC000000212616 563988551 /nfs/dbraw/zinc/98/85/51/563988551.db2.gz WPZGEZMHARDDPF-UHFFFAOYSA-N 1 0 347.553 4.071 50 0 EIAARO Cc1cc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)ccc1Cl ZINC000000261050 563989690 /nfs/dbraw/zinc/98/96/90/563989690.db2.gz WHCQAKZVRXYFFD-UHFFFAOYSA-N 1 0 339.936 4.150 50 0 EIAARO CCc1cccc(C)c1NC(=S)N1CCC([N@H+](C)C(C)C)CC1 ZINC000000260994 563989925 /nfs/dbraw/zinc/98/99/25/563989925.db2.gz UJACAHSHIRMLNJ-UHFFFAOYSA-N 1 0 333.545 4.059 50 0 EIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2cncc3ccccc32)c1 ZINC000408525540 563993309 /nfs/dbraw/zinc/99/33/09/563993309.db2.gz UACCZXIMDGZUMR-MRXNPFEDSA-N 1 0 347.462 4.477 50 0 EIAARO CC(C)c1ccc(CN2CCC[C@@]3(CC[N@@H+](C4CCC4)C3)C2=O)cc1 ZINC000011753421 563994921 /nfs/dbraw/zinc/99/49/21/563994921.db2.gz IPJZHLZIMKOWEU-QFIPXVFZSA-N 1 0 340.511 4.177 50 0 EIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cc2ccccc2o1 ZINC000248029148 563995035 /nfs/dbraw/zinc/99/50/35/563995035.db2.gz NTQOHBOQTGDRHH-IEBWSBKVSA-N 1 0 346.430 4.189 50 0 EIAARO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252370582 563997612 /nfs/dbraw/zinc/99/76/12/563997612.db2.gz YHPJZFFADHNXOR-CEXWTWQISA-N 1 0 331.500 4.062 50 0 EIAARO Cc1ccsc1C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000075675515 564000541 /nfs/dbraw/zinc/00/05/41/564000541.db2.gz YDVYKJRSZFVIAS-UHFFFAOYSA-N 1 0 331.872 4.245 50 0 EIAARO CC(C)[NH+](CCNc1ncnc2c3cc(Cl)ccc3[nH]c21)C(C)C ZINC000005217252 564001160 /nfs/dbraw/zinc/00/11/60/564001160.db2.gz BBYWAKHSHVBRPU-UHFFFAOYSA-N 1 0 345.878 4.295 50 0 EIAARO COCC[N@H+](CCOc1cc(C)cc(C)c1)Cc1ccc(Cl)cc1 ZINC000061894925 564002325 /nfs/dbraw/zinc/00/23/25/564002325.db2.gz QTBFOZSBQFIGBN-UHFFFAOYSA-N 1 0 347.886 4.484 50 0 EIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1Cl ZINC000005446801 564004092 /nfs/dbraw/zinc/00/40/92/564004092.db2.gz PLCBAAFOBRUHFI-APWZRJJASA-N 1 0 340.854 4.097 50 0 EIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)Nc1ccccc1 ZINC000008862970 564007206 /nfs/dbraw/zinc/00/72/06/564007206.db2.gz DFMOPFNYPCFQEC-GOSISDBHSA-N 1 0 343.496 4.487 50 0 EIAARO C[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273510735 564007800 /nfs/dbraw/zinc/00/78/00/564007800.db2.gz QXAKRJUXUJCLIM-QUCCMNQESA-N 1 0 339.414 4.054 50 0 EIAARO COc1ccccc1C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000017310998 564011594 /nfs/dbraw/zinc/01/15/94/564011594.db2.gz CPLMDZYKJOQQIK-UHFFFAOYSA-N 1 0 349.478 4.155 50 0 EIAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000004657494 564013869 /nfs/dbraw/zinc/01/38/69/564013869.db2.gz VBMPONWIUCXWGW-SFHVURJKSA-N 1 0 331.843 4.188 50 0 EIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc2ccccc21 ZINC000011004451 564017591 /nfs/dbraw/zinc/01/75/91/564017591.db2.gz MCEWVFXNSSEIIT-LJQANCHMSA-N 1 0 349.434 4.391 50 0 EIAARO COc1ccc(C(=O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000000494916 564017918 /nfs/dbraw/zinc/01/79/18/564017918.db2.gz LWCQYWHRSSTYNS-GOSISDBHSA-N 1 0 341.426 4.287 50 0 EIAARO COc1ccccc1[C@H](C(=O)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000000523461 564021149 /nfs/dbraw/zinc/02/11/49/564021149.db2.gz MQNXBEOUQSAJES-FPOVZHCZSA-N 1 0 335.447 4.004 50 0 EIAARO O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3o1)N2 ZINC000104156275 564023753 /nfs/dbraw/zinc/02/37/53/564023753.db2.gz BNWJBNLQZQLJEY-UHFFFAOYSA-N 1 0 336.395 4.359 50 0 EIAARO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000046814932 564025438 /nfs/dbraw/zinc/02/54/38/564025438.db2.gz ODPRBYFTWRVFIT-JKSUJKDBSA-N 1 0 333.435 4.221 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCO[C@@]4(CCSC4)C3)oc21 ZINC000108376762 564028185 /nfs/dbraw/zinc/02/81/85/564028185.db2.gz AYNGBCPHNOORSQ-RFUYNDQBSA-N 1 0 347.480 4.147 50 0 EIAARO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCCCC2)cc1 ZINC000048273375 564030378 /nfs/dbraw/zinc/03/03/78/564030378.db2.gz VBWSNVXGWZIQTQ-LJQANCHMSA-N 1 0 328.500 4.134 50 0 EIAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000008403088 564035560 /nfs/dbraw/zinc/03/55/60/564035560.db2.gz SHLAOEKSIHQSHQ-UHFFFAOYSA-N 1 0 338.451 4.324 50 0 EIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2cccc(C(F)(F)F)c2)cc1 ZINC000058161292 564035579 /nfs/dbraw/zinc/03/55/79/564035579.db2.gz LLYXFXHPGPYIAR-CYBMUJFWSA-N 1 0 336.357 4.131 50 0 EIAARO CC[C@@H](O)c1cc2n(n1)CCN(CCC1=C(C)CCCC1(C)C)C2 ZINC000220518229 564035915 /nfs/dbraw/zinc/03/59/15/564035915.db2.gz ZNEDTYRSHDWUAE-LJQANCHMSA-N 1 0 331.504 4.059 50 0 EIAARO CC[C@H](O)c1cc2n(n1)CCN(CCC1=C(C)CCCC1(C)C)C2 ZINC000220518286 564035929 /nfs/dbraw/zinc/03/59/29/564035929.db2.gz ZNEDTYRSHDWUAE-IBGZPJMESA-N 1 0 331.504 4.059 50 0 EIAARO COc1cccc([C@H](CNc2nc3ccccc3s2)[NH+](C)C)c1 ZINC000025371216 564037281 /nfs/dbraw/zinc/03/72/81/564037281.db2.gz OCJWDVJRDLSORR-INIZCTEOSA-N 1 0 327.453 4.020 50 0 EIAARO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+][C@@H](C)c2ccncc2F)cc1 ZINC000240757074 564051821 /nfs/dbraw/zinc/05/18/21/564051821.db2.gz HWCXYQUEZXKCGI-VPWXQRGCSA-N 1 0 328.431 4.348 50 0 EIAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248070491 564052925 /nfs/dbraw/zinc/05/29/25/564052925.db2.gz GBUCTTRBTMQHMR-QGZVFWFLSA-N 1 0 334.467 4.190 50 0 EIAARO Cc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCO3)c3ccccc32)cc1 ZINC000248130971 564053032 /nfs/dbraw/zinc/05/30/32/564053032.db2.gz YQPBDPWVXJSAFK-HXUWFJFHSA-N 1 0 334.463 4.267 50 0 EIAARO Cc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCO3)c3ccccc32)cc1 ZINC000248130963 564053042 /nfs/dbraw/zinc/05/30/42/564053042.db2.gz YQPBDPWVXJSAFK-FQEVSTJZSA-N 1 0 334.463 4.267 50 0 EIAARO CCOc1ccc(C(=O)[C@@H](Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000003384311 564059568 /nfs/dbraw/zinc/05/95/68/564059568.db2.gz AEGFSIMEYMWKAI-OAQYLSRUSA-N 1 0 337.463 4.365 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003428466 564059626 /nfs/dbraw/zinc/05/96/26/564059626.db2.gz RUFJTGBERFBNPP-JOCHJYFZSA-N 1 0 344.458 4.386 50 0 EIAARO CCNC(=O)Cc1ccc(-c2cccc([C@@H](C)[NH+]3CCCC3)c2)cc1 ZINC000534575238 564061056 /nfs/dbraw/zinc/06/10/56/564061056.db2.gz YFJNEOPCEUOZRF-QGZVFWFLSA-N 1 0 336.479 4.189 50 0 EIAARO Cc1cc(N)[nH+]c(C)c1-c1ccccc1C(=O)N(C(C)C)C(C)C ZINC000534663273 564061620 /nfs/dbraw/zinc/06/16/20/564061620.db2.gz QAJGPZKBLLVZAC-UHFFFAOYSA-N 1 0 325.456 4.037 50 0 EIAARO CN(C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)[C@H]1CCCc2ccccc21 ZINC000083855803 564063836 /nfs/dbraw/zinc/06/38/36/564063836.db2.gz LZKDECIYLKGNLC-YADHBBJMSA-N 1 0 348.490 4.142 50 0 EIAARO Cc1ccc(N2C(=O)[C@H](C[NH+]3CCCCC3)[C@@H]2c2ccccc2)cc1 ZINC000001394084 564064609 /nfs/dbraw/zinc/06/46/09/564064609.db2.gz OMOXCNHOHLCAAM-RTWAWAEBSA-N 1 0 334.463 4.185 50 0 EIAARO C[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012736482 564064705 /nfs/dbraw/zinc/06/47/05/564064705.db2.gz WNNAXJRUAKSABZ-VGSWGCGISA-N 1 0 348.490 4.222 50 0 EIAARO C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012782200 564070037 /nfs/dbraw/zinc/07/00/37/564070037.db2.gz UZPHSYXSBWNNFX-DNVCBOLYSA-N 1 0 341.430 4.173 50 0 EIAARO C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012782207 564070056 /nfs/dbraw/zinc/07/00/56/564070056.db2.gz UZPHSYXSBWNNFX-BEFAXECRSA-N 1 0 341.430 4.173 50 0 EIAARO Cc1cc(C)cc(NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000015861038 564076942 /nfs/dbraw/zinc/07/69/42/564076942.db2.gz ASAGZIRGFWUMBO-UHFFFAOYSA-N 1 0 338.426 4.213 50 0 EIAARO Cc1cccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000012905354 564077806 /nfs/dbraw/zinc/07/78/06/564077806.db2.gz ZDVRGHVKYPKUJK-UHFFFAOYSA-N 1 0 336.479 4.219 50 0 EIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000012925024 564078499 /nfs/dbraw/zinc/07/84/99/564078499.db2.gz YZQJCWQTVYLNIW-GOSISDBHSA-N 1 0 343.858 4.299 50 0 EIAARO CCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc3c2OCCCO3)s1 ZINC000090546564 564084653 /nfs/dbraw/zinc/08/46/53/564084653.db2.gz BQTFBMPLCALCDH-GFCCVEGCSA-N 1 0 332.469 4.026 50 0 EIAARO CCC[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccsc1 ZINC000191196412 564084873 /nfs/dbraw/zinc/08/48/73/564084873.db2.gz REAFGVAHDXZSMO-INIZCTEOSA-N 1 0 332.469 4.077 50 0 EIAARO Cc1ccc2c(C[NH2+][C@H](C)c3ccc(F)c(F)c3)cc(=O)oc2c1 ZINC000013000870 564086357 /nfs/dbraw/zinc/08/63/57/564086357.db2.gz GFIATOHGMGHFEE-GFCCVEGCSA-N 1 0 329.346 4.230 50 0 EIAARO Cc1ccc2c(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)cc(=O)oc2c1 ZINC000013000872 564086361 /nfs/dbraw/zinc/08/63/61/564086361.db2.gz GFIATOHGMGHFEE-LBPRGKRZSA-N 1 0 329.346 4.230 50 0 EIAARO COc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000013009957 564086452 /nfs/dbraw/zinc/08/64/52/564086452.db2.gz KJGDJNHVNIPPHA-MRXNPFEDSA-N 1 0 348.446 4.307 50 0 EIAARO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000090974827 564087139 /nfs/dbraw/zinc/08/71/39/564087139.db2.gz CKQMVKKGXCNQEV-HNNXBMFYSA-N 1 0 340.442 4.154 50 0 EIAARO Fc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c(F)c1 ZINC000239426003 564088135 /nfs/dbraw/zinc/08/81/35/564088135.db2.gz VOXCPUZBKUNEOO-VQTJNVASSA-N 1 0 334.454 4.194 50 0 EIAARO Cc1ccc(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000242047884 564088451 /nfs/dbraw/zinc/08/84/51/564088451.db2.gz VQVMLUZYXASLIP-ZIAGYGMSSA-N 1 0 339.936 4.198 50 0 EIAARO C[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000006602165 564092671 /nfs/dbraw/zinc/09/26/71/564092671.db2.gz WIZSQNWCIBHXEW-GFCCVEGCSA-N 1 0 329.271 4.047 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(Br)cc2Cl)C1 ZINC000004914039 564093176 /nfs/dbraw/zinc/09/31/76/564093176.db2.gz UHCPLTZEQRQLPP-VXGBXAGGSA-N 1 0 346.696 4.459 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CCOCCOc2cccc3ccccc32)C1 ZINC000004907331 564093180 /nfs/dbraw/zinc/09/31/80/564093180.db2.gz WRHRLSUFTVSSCS-ROUUACIJSA-N 1 0 327.468 4.213 50 0 EIAARO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)cc2)C1 ZINC000426387688 564093541 /nfs/dbraw/zinc/09/35/41/564093541.db2.gz NCKOZOBSUISYGG-LBPRGKRZSA-N 1 0 349.261 4.081 50 0 EIAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000006638936 564094771 /nfs/dbraw/zinc/09/47/71/564094771.db2.gz YDTGXDPVOVASKX-UGSOOPFHSA-N 1 0 328.843 4.334 50 0 EIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)Cc2ccccc2)c1 ZINC000036100730 564096135 /nfs/dbraw/zinc/09/61/35/564096135.db2.gz BIOYMHAMZGLMAX-QFIPXVFZSA-N 1 0 325.496 4.447 50 0 EIAARO C[N@H+](C1CCCC1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000006750598 564097098 /nfs/dbraw/zinc/09/70/98/564097098.db2.gz LYQCBXPIJZBVSI-UHFFFAOYSA-N 1 0 335.879 4.211 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cnnc3c(Cl)cccc23)C1 ZINC000006998380 564102772 /nfs/dbraw/zinc/10/27/72/564102772.db2.gz VQPCIDHXNDGXJI-ZIAGYGMSSA-N 1 0 332.879 4.063 50 0 EIAARO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000170615550 564109968 /nfs/dbraw/zinc/10/99/68/564109968.db2.gz UOLMUDGBXQRYMQ-IUCAKERBSA-N 1 0 327.222 4.101 50 0 EIAARO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000089865047 564114367 /nfs/dbraw/zinc/11/43/67/564114367.db2.gz JLNRUGXCNORKCS-INIZCTEOSA-N 1 0 338.451 4.036 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc2ccccc2c1 ZINC000076056578 564115036 /nfs/dbraw/zinc/11/50/36/564115036.db2.gz TVQGSTZAPQIFKA-CKJXQJPGSA-N 1 0 336.479 4.137 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000089949169 564115804 /nfs/dbraw/zinc/11/58/04/564115804.db2.gz LVMIZPMQTHWYJW-RDTXWAMCSA-N 1 0 342.508 4.028 50 0 EIAARO Cc1c(Cl)ccc(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000002822909 564116972 /nfs/dbraw/zinc/11/69/72/564116972.db2.gz RVHUENQYIPNWJN-GASCZTMLSA-N 1 0 339.907 4.330 50 0 EIAARO C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237651805 564117757 /nfs/dbraw/zinc/11/77/57/564117757.db2.gz TWCYVCOKCSXSIR-ZBEGNZNMSA-N 1 0 337.250 4.261 50 0 EIAARO CCC[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000252671906 564124819 /nfs/dbraw/zinc/12/48/19/564124819.db2.gz ONZUQFBMUYPLNC-RLLQIKCJSA-N 1 0 342.458 4.399 50 0 EIAARO C[C@H]([NH2+][C@@H](C)c1ccncc1F)c1ccc2c(c1)COC(C)(C)O2 ZINC000253416004 564130753 /nfs/dbraw/zinc/13/07/53/564130753.db2.gz IZUOULLTUYRLRB-STQMWFEESA-N 1 0 330.403 4.278 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1cccc(Cn2cccn2)c1 ZINC000055133248 564134073 /nfs/dbraw/zinc/13/40/73/564134073.db2.gz OMSSXKSKSYUODB-GOSISDBHSA-N 1 0 334.467 4.127 50 0 EIAARO c1csc(Cn2cccc2CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093563651 564137837 /nfs/dbraw/zinc/13/78/37/564137837.db2.gz GOKAATVCVIMLPS-GOSISDBHSA-N 1 0 343.540 4.048 50 0 EIAARO C[C@@H](CC[NH+](C)C)Nc1nc(-c2ccsc2)nc2ccccc21 ZINC000095385743 564139392 /nfs/dbraw/zinc/13/93/92/564139392.db2.gz JUOIWJKXCKWRTF-ZDUSSCGKSA-N 1 0 326.469 4.110 50 0 EIAARO C[S@@](=O)c1ccc(C[NH2+][C@H](c2cc3ccccc3o2)C2CC2)cc1 ZINC000095409645 564139620 /nfs/dbraw/zinc/13/96/20/564139620.db2.gz VSGRGLCDHKQWKL-RDPSFJRHSA-N 1 0 339.460 4.411 50 0 EIAARO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccsc2S1 ZINC000095420069 564139828 /nfs/dbraw/zinc/13/98/28/564139828.db2.gz FFVVSJDKMOMUOY-XJKSGUPXSA-N 1 0 345.537 4.459 50 0 EIAARO c1coc([C@@H]([NH2+]C2CCN(Cc3cccnc3)CC2)c2ccccc2)c1 ZINC000095419554 564139856 /nfs/dbraw/zinc/13/98/56/564139856.db2.gz JLCIWFGDFCYYKU-QFIPXVFZSA-N 1 0 347.462 4.018 50 0 EIAARO C[C@@H]([NH2+]Cc1ccnc(-n2cccn2)c1)c1cccc(C(F)(F)F)c1 ZINC000095420079 564139863 /nfs/dbraw/zinc/13/98/63/564139863.db2.gz JPZINYSOEDKREJ-CYBMUJFWSA-N 1 0 346.356 4.137 50 0 EIAARO CCSc1ccccc1[C@H](C)[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000095420971 564140008 /nfs/dbraw/zinc/14/00/08/564140008.db2.gz MKHBVRYRUMBZIG-AWEZNQCLSA-N 1 0 328.481 4.009 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1cccs1 ZINC000095421441 564140022 /nfs/dbraw/zinc/14/00/22/564140022.db2.gz IMSZCBLTYWPKHJ-CQSZACIVSA-N 1 0 337.448 4.246 50 0 EIAARO CC(C)n1cc([C@@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000095421351 564140052 /nfs/dbraw/zinc/14/00/52/564140052.db2.gz OQAGHVNAUXWCNE-SJORKVTESA-N 1 0 346.544 4.088 50 0 EIAARO COc1cc([C@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)ccc1SC ZINC000095422812 564140146 /nfs/dbraw/zinc/14/01/46/564140146.db2.gz LDNHWBJJLJCOLE-RYUDHWBXSA-N 1 0 334.485 4.304 50 0 EIAARO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000095422809 564140183 /nfs/dbraw/zinc/14/01/83/564140183.db2.gz YOQQOGUMPZQHFB-ZIAGYGMSSA-N 1 0 338.455 4.067 50 0 EIAARO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000095459057 564140707 /nfs/dbraw/zinc/14/07/07/564140707.db2.gz KNTBNDQNQAETKB-CXAGYDPISA-N 1 0 348.512 4.315 50 0 EIAARO COc1ccc2oc(C[NH+]3CCC(Cc4cccnc4)CC3)cc2c1 ZINC000095468640 564141156 /nfs/dbraw/zinc/14/11/56/564141156.db2.gz FNDKMJUHZWPYNX-UHFFFAOYSA-N 1 0 336.435 4.291 50 0 EIAARO Fc1ccc(Br)cc1CSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000095956238 564142551 /nfs/dbraw/zinc/14/25/51/564142551.db2.gz KQYYUANLRDPNOY-CHWSQXEVSA-N 1 0 343.265 4.092 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCO[C@]4(CCSC4)C3)oc21 ZINC000095988096 564144052 /nfs/dbraw/zinc/14/40/52/564144052.db2.gz AYNGBCPHNOORSQ-ZBQZNYHESA-N 1 0 347.480 4.147 50 0 EIAARO Cc1ccc(CCCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1C ZINC000096013604 564144774 /nfs/dbraw/zinc/14/47/74/564144774.db2.gz VRGXURSHABTVBV-SFHVURJKSA-N 1 0 343.433 4.261 50 0 EIAARO Cc1ccc([C@@H]2CN(C(=O)CC(C)C)C[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000096281440 564146377 /nfs/dbraw/zinc/14/63/77/564146377.db2.gz MKYXODPCJOUVMB-SFTDATJTSA-N 1 0 342.527 4.069 50 0 EIAARO CC[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccccc1OC(F)F ZINC000096476581 564148464 /nfs/dbraw/zinc/14/84/64/564148464.db2.gz KJJGCEQDVCEFQJ-LRDDRELGSA-N 1 0 335.398 4.497 50 0 EIAARO COCC[C@H]([NH2+]Cc1c(C)noc1C)c1ccc(Cl)c(Cl)c1 ZINC000284348793 564149026 /nfs/dbraw/zinc/14/90/26/564149026.db2.gz CRUJPHMDZODUHD-INIZCTEOSA-N 1 0 343.254 4.466 50 0 EIAARO C[C@H](C(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1)n1ccnc1 ZINC000056483108 564152558 /nfs/dbraw/zinc/15/25/58/564152558.db2.gz SOJYKHLSICQEDA-ABAIWWIYSA-N 1 0 338.238 4.115 50 0 EIAARO C[C@H]1CCC[C@H](C)N1Cn1nc2sc3ccccc3n2c1=S ZINC000003348576 564157563 /nfs/dbraw/zinc/15/75/63/564157563.db2.gz BWDRHCSBSLPDTB-RYUDHWBXSA-N 1 0 332.498 4.300 50 0 EIAARO CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2N2CCOCC2)cc1 ZINC000066990190 564164898 /nfs/dbraw/zinc/16/48/98/564164898.db2.gz KEEPAQGWGFEVIC-MRXNPFEDSA-N 1 0 342.508 4.096 50 0 EIAARO Cc1ccc([C@@H](C(=O)NC2CCCCC2)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000008548296 564165651 /nfs/dbraw/zinc/16/56/51/564165651.db2.gz QRHFGHHFRSTMOW-XLIONFOSSA-N 1 0 328.500 4.217 50 0 EIAARO Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1C[N@H+](C)C1CCCCC1 ZINC000008717533 564166810 /nfs/dbraw/zinc/16/68/10/564166810.db2.gz MQUWMVPALAZCSB-UHFFFAOYSA-N 1 0 327.472 4.079 50 0 EIAARO CCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000009958710 564174946 /nfs/dbraw/zinc/17/49/46/564174946.db2.gz WNWSTDCNLJMSRF-UHFFFAOYSA-N 1 0 342.487 4.027 50 0 EIAARO CSc1ccc(Cl)c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000042674531 564175165 /nfs/dbraw/zinc/17/51/65/564175165.db2.gz SUYSGSJYWUSUOZ-UHFFFAOYSA-N 1 0 340.920 4.058 50 0 EIAARO COc1cc(CN2CCC[C@@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000015836680 568420162 /nfs/dbraw/zinc/42/01/62/568420162.db2.gz AHTSWLWTFJWSHC-MRXNPFEDSA-N 1 0 347.842 4.400 50 0 EIAARO CCCOc1ccc([C@H](O)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000002250656 568422354 /nfs/dbraw/zinc/42/23/54/568422354.db2.gz ZQANJCYEINMFHT-RTWAWAEBSA-N 1 0 325.452 4.346 50 0 EIAARO Cc1[nH]c2ccc(C)cc2c1CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000024794810 1020524547 /nfs/dbraw/zinc/52/45/47/1020524547.db2.gz SACMZBGLLTWFOD-UHFFFAOYSA-N 1 0 335.451 4.028 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000211240332 1024070153 /nfs/dbraw/zinc/07/01/53/1024070153.db2.gz YTTXEOOTKXWBBQ-RFIQDPTOSA-N 1 0 337.435 4.157 50 0 EIAARO CC(C)c1nsc(NC[C@H](c2ccc(Cl)cc2)n2ccnc2)n1 ZINC000888094916 1025953872 /nfs/dbraw/zinc/95/38/72/1025953872.db2.gz GZQDBEQDDJHLMB-CQSZACIVSA-N 1 0 347.875 4.213 50 0 EIAARO O=C(c1cccc(-c2ccoc2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000179069138 1027506733 /nfs/dbraw/zinc/50/67/33/1027506733.db2.gz YOPROKYAJQLGFC-UHFFFAOYSA-N 1 0 338.451 4.037 50 0 EIAARO CC[C@H]([NH2+]CCc1nc(C(C)C)no1)c1cccc(Cl)c1F ZINC000161813020 1029002247 /nfs/dbraw/zinc/00/22/47/1029002247.db2.gz ZSIROKPEWWNJOM-ZDUSSCGKSA-N 1 0 325.815 4.269 50 0 EIAARO O=C1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)N1C1CCCCCCC1 ZINC000011872710 1043488109 /nfs/dbraw/zinc/48/81/09/1043488109.db2.gz GHBUSUCDSRWZHQ-HXUWFJFHSA-N 1 0 346.490 4.409 50 0 EIAARO COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1C ZINC000011933563 1043756634 /nfs/dbraw/zinc/75/66/34/1043756634.db2.gz CPXNSCVAUSERJS-QFIPXVFZSA-N 1 0 342.527 4.092 50 0 EIAARO COc1cccc([C@H]2CC[N@@H+]2Cc2cc(C)ccc2-n2cccn2)c1 ZINC000824774922 1044527078 /nfs/dbraw/zinc/52/70/78/1044527078.db2.gz SKYXVAFFAKNRNM-HXUWFJFHSA-N 1 0 333.435 4.136 50 0 EIAARO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc4c5ccccc5oc43)C2)[nH]1 ZINC000825262184 1044625809 /nfs/dbraw/zinc/62/58/09/1044625809.db2.gz VUNDSRSKKJMSMX-INIZCTEOSA-N 1 0 346.434 4.392 50 0 EIAARO C[C@@H]1c2cc(F)ccc2CC[N@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000826602449 1044787662 /nfs/dbraw/zinc/78/76/62/1044787662.db2.gz YSOSYIJOAKHQHG-MRXNPFEDSA-N 1 0 335.426 4.190 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1=Cc2ccccc2OC=C1 ZINC000827682868 1044882844 /nfs/dbraw/zinc/88/28/44/1044882844.db2.gz ZWNPEFDPLLYMEH-UHFFFAOYSA-N 1 0 346.430 4.211 50 0 EIAARO OCC1(CCCc2ccccc2)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012593752 1044931463 /nfs/dbraw/zinc/93/14/63/1044931463.db2.gz KMPICDVONPKISQ-OAQYLSRUSA-N 1 0 327.512 4.440 50 0 EIAARO Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000375266688 1045216850 /nfs/dbraw/zinc/21/68/50/1045216850.db2.gz GPHRMJWMVCCIJV-QGZVFWFLSA-N 1 0 345.874 4.185 50 0 EIAARO C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C2CCCCCCC2)c(OC)c1 ZINC000033466873 1047315625 /nfs/dbraw/zinc/31/56/25/1047315625.db2.gz PVKOOOTYOQGUQP-FOTOIKQHSA-N 1 0 347.499 4.171 50 0 EIAARO Cc1cc2ccccc2c(N2CC[C@@H](c3ccccc3)[C@@H](CO)C2)[nH+]1 ZINC000585082761 1049392477 /nfs/dbraw/zinc/39/24/77/1049392477.db2.gz ZUINPEXEUIYQRG-UXHICEINSA-N 1 0 332.447 4.146 50 0 EIAARO CCOC1CC2(C1)CC[N@H+](Cc1cc(C)c(OC(F)F)c(C)c1)C2 ZINC000585084442 1049415858 /nfs/dbraw/zinc/41/58/58/1049415858.db2.gz AAGVMEGNYNBQDW-UHFFFAOYSA-N 1 0 339.426 4.296 50 0 EIAARO c1cc([C@H]2CCCCO2)oc1C[NH2+]CCN1CCCc2ccccc21 ZINC000952872476 1049679405 /nfs/dbraw/zinc/67/94/05/1049679405.db2.gz QAIBKXPUZAOQCB-HXUWFJFHSA-N 1 0 340.467 4.064 50 0 EIAARO C[C@H]([NH2+]Cc1cnc2c(-c3ccccc3)cnn2c1)C1=CCCCC1 ZINC000952873917 1049679665 /nfs/dbraw/zinc/67/96/65/1049679665.db2.gz QQEZTRXEFUEBLP-INIZCTEOSA-N 1 0 332.451 4.375 50 0 EIAARO CC(C)c1nccn1CCC[NH2+]Cc1cnc(C2CCCCC2)nc1 ZINC000952964754 1049684630 /nfs/dbraw/zinc/68/46/30/1049684630.db2.gz DJPKDNUMEMJYPJ-UHFFFAOYSA-N 1 0 341.503 4.024 50 0 EIAARO CCCc1cc(C[NH2+]Cc2ccc(OC)c3cccc(OC)c23)on1 ZINC000952967456 1049686133 /nfs/dbraw/zinc/68/61/33/1049686133.db2.gz ZMHRPQXBNYFXJG-UHFFFAOYSA-N 1 0 340.423 4.087 50 0 EIAARO Cc1cccc(N2CCC([NH2+]Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000952975190 1049686838 /nfs/dbraw/zinc/68/68/38/1049686838.db2.gz SHLWQUXLURZMJP-UHFFFAOYSA-N 1 0 347.462 4.409 50 0 EIAARO OCCC[N@H+](Cc1coc(-c2ccccc2)n1)[C@H]1CCc2ccccc21 ZINC000072632375 1052524808 /nfs/dbraw/zinc/52/48/08/1052524808.db2.gz ZIOYOTNZIRZSEA-NRFANRHFSA-N 1 0 348.446 4.214 50 0 EIAARO OCCC[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H]1CCc2ccccc21 ZINC000072632374 1052525319 /nfs/dbraw/zinc/52/53/19/1052525319.db2.gz ZIOYOTNZIRZSEA-OAQYLSRUSA-N 1 0 348.446 4.214 50 0 EIAARO Cc1ccsc1C[N@H+]1CC[C@H](n2c(C)cnc2-c2ccncc2)C1 ZINC000581808181 1060018384 /nfs/dbraw/zinc/01/83/84/1060018384.db2.gz WMTJDFAMPAIWME-KRWDZBQOSA-N 1 0 338.480 4.070 50 0 EIAARO C[C@@H]([NH2+]Cc1ccccn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000054203686 214224972 /nfs/dbraw/zinc/22/49/72/214224972.db2.gz KVNKZMFRJVBNCL-OAHLLOKOSA-N 1 0 349.409 4.324 50 0 EIAARO C[C@H](c1ccc(C(=O)N(C)Cc2ccsc2)o1)[NH+]1CCCCC1 ZINC000097730095 219052449 /nfs/dbraw/zinc/05/24/49/219052449.db2.gz UUQRQUPYSJUFEQ-CQSZACIVSA-N 1 0 332.469 4.160 50 0 EIAARO CCCN(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000055118888 214275939 /nfs/dbraw/zinc/27/59/39/214275939.db2.gz SJQIYXVFAOVVPL-FQEVSTJZSA-N 1 0 329.532 4.338 50 0 EIAARO CCN(C/C=C/c1ccccc1)C(=O)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000055153987 214280589 /nfs/dbraw/zinc/28/05/89/214280589.db2.gz RYRKAELOCSVUKZ-PYUISTEWSA-N 1 0 340.492 4.348 50 0 EIAARO COc1ccccc1C[N@H+](Cc1ccc2c(C)cc(=O)oc2c1)C1CC1 ZINC000055401402 214318843 /nfs/dbraw/zinc/31/88/43/214318843.db2.gz CZCMKPMFKVNZJR-UHFFFAOYSA-N 1 0 349.430 4.275 50 0 EIAARO CCOc1ccc(Br)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000004657567 210239549 /nfs/dbraw/zinc/23/95/49/210239549.db2.gz UNUFRUKYSVXWFW-UHFFFAOYSA-N 1 0 338.220 4.277 50 0 EIAARO c1nc(-c2ccccc2)c(-c2ccncc2)n1CCCC[NH+]1CCCC1 ZINC000065383039 214882773 /nfs/dbraw/zinc/88/27/73/214882773.db2.gz NFJXGOMFABXGEC-UHFFFAOYSA-N 1 0 346.478 4.488 50 0 EIAARO Cc1ccc(C)c([N+]2=C3CCCCCN3[C@](O)(c3cccs3)C2)c1 ZINC000004086864 210116885 /nfs/dbraw/zinc/11/68/85/210116885.db2.gz ZFTGBJMPPFSFCW-HXUWFJFHSA-N 1 0 341.500 4.015 50 0 EIAARO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1(c2ccccc2)CCCC1 ZINC000004029302 210102749 /nfs/dbraw/zinc/10/27/49/210102749.db2.gz TVSLBGTUONIWBK-AZUAARDMSA-N 1 0 341.495 4.306 50 0 biogenic EIAARO CCCCN(C(=O)c1ccc(Cl)cc1)C1=C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000004019041 210101106 /nfs/dbraw/zinc/10/11/06/210101106.db2.gz FETLJBXPGXXLIH-SJORKVTESA-N 1 0 332.875 4.333 50 0 EIAARO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000003443356 210041889 /nfs/dbraw/zinc/04/18/89/210041889.db2.gz PIORCUXBGPFTTR-IBGZPJMESA-N 1 0 326.415 4.382 50 0 EIAARO CCCC[C@@H]1C=CC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067490999 215154416 /nfs/dbraw/zinc/15/44/16/215154416.db2.gz UFOVFKKRDFFBML-LJQANCHMSA-N 1 0 332.451 4.327 50 0 EIAARO CC(C)c1ccc(OCC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000042770504 213533486 /nfs/dbraw/zinc/53/34/86/213533486.db2.gz ISNDPKRQNMFLNW-AWEZNQCLSA-N 1 0 326.278 4.484 50 0 EIAARO CC1CC[NH+](CCCCOc2ccc(Br)cc2)CC1 ZINC000002954798 209944589 /nfs/dbraw/zinc/94/45/89/209944589.db2.gz XNMPBJPSKZLOPM-UHFFFAOYSA-N 1 0 326.278 4.340 50 0 EIAARO COc1ccc(Oc2ccc(C[NH+]3CCCC3)cc2OC)cc1C ZINC000067788525 215214319 /nfs/dbraw/zinc/21/43/19/215214319.db2.gz GCAKGXSNRLXMIN-UHFFFAOYSA-N 1 0 327.424 4.400 50 0 EIAARO Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)c2c1 ZINC000067872373 215237085 /nfs/dbraw/zinc/23/70/85/215237085.db2.gz GHFOZWRUZCLWFQ-IBGZPJMESA-N 1 0 335.451 4.053 50 0 EIAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000103962548 219332676 /nfs/dbraw/zinc/33/26/76/219332676.db2.gz NMVJJEDURJILIY-MSOLQXFVSA-N 1 0 340.511 4.064 50 0 EIAARO CCCCSc1ccc2n(C)c(-c3ccc(C=O)cc3)c[n+]2c1 ZINC000002029315 209812667 /nfs/dbraw/zinc/81/26/67/209812667.db2.gz PSOLOGNAMYBRQH-UHFFFAOYSA-N 1 0 325.457 4.136 50 0 EIAARO C[C@@H]([NH2+]CCCCc1ccccc1)[C@@H](O)c1ccc2c(c1)CCS2 ZINC000001846218 209799311 /nfs/dbraw/zinc/79/93/11/209799311.db2.gz FJLRGFADCXTJNV-IIBYNOLFSA-N 1 0 341.520 4.369 50 0 in-man EIAARO C[NH+](C)CCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000001807495 209797021 /nfs/dbraw/zinc/79/70/21/209797021.db2.gz FQIBZBRPAORTIW-UHFFFAOYSA-N 1 0 340.858 4.314 50 0 biogenic,in-vitro EIAARO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c(OC)c1OC ZINC000040088616 213261321 /nfs/dbraw/zinc/26/13/21/213261321.db2.gz FSFGVNBLSLRHKA-CVEARBPZSA-N 1 0 335.488 4.407 50 0 EIAARO c1[nH]c2ccccc2c1CNCC1([NH+]2CCCCC2)CCCCC1 ZINC000039756483 213242725 /nfs/dbraw/zinc/24/27/25/213242725.db2.gz UBVSRRXMJXOJEN-UHFFFAOYSA-N 1 0 325.500 4.446 50 0 EIAARO CCCCC1CC[NH+](CCCN2c3ccccc3CCC2=O)CC1 ZINC000038410698 213208868 /nfs/dbraw/zinc/20/88/68/213208868.db2.gz PHMGZAICAOYEAF-UHFFFAOYSA-N 1 0 328.500 4.258 50 0 in-vitro EIAARO [NH3+][C@@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000038127942 213202634 /nfs/dbraw/zinc/20/26/34/213202634.db2.gz RZLPPZWSLSEFHW-AWEZNQCLSA-N 1 0 328.612 4.484 50 0 EIAARO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccn2)cc1 ZINC000037522953 213153728 /nfs/dbraw/zinc/15/37/28/213153728.db2.gz JZNUSCJTIBPKSR-JOCHJYFZSA-N 1 0 331.463 4.441 50 0 EIAARO CCc1cccc(CC)c1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036392700 213096150 /nfs/dbraw/zinc/09/61/50/213096150.db2.gz CRPSUCXNFMQKQT-UHFFFAOYSA-N 1 0 331.504 4.242 50 0 EIAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000036347912 213085997 /nfs/dbraw/zinc/08/59/97/213085997.db2.gz MOCTZIFGGDZGNT-JOCHJYFZSA-N 1 0 332.447 4.492 50 0 EIAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036100050 213067166 /nfs/dbraw/zinc/06/71/66/213067166.db2.gz RPVVSUKCTRLWDZ-QFIPXVFZSA-N 1 0 325.496 4.447 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COCc1ccco1 ZINC000036098927 213066154 /nfs/dbraw/zinc/06/61/54/213066154.db2.gz JGZFLIXJRLJRJI-QUCCMNQESA-N 1 0 345.483 4.075 50 0 EIAARO O[C@@H](Cc1ccccc1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036096838 213063162 /nfs/dbraw/zinc/06/31/62/213063162.db2.gz DLYUBSNZMPDBKM-QHCPKHFHSA-N 1 0 331.459 4.292 50 0 EIAARO C[C@H](C[NH2+]Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000033874966 212967090 /nfs/dbraw/zinc/96/70/90/212967090.db2.gz FMRUBXQQSIIGPL-LJQANCHMSA-N 1 0 331.459 4.348 50 0 EIAARO CC(=O)c1ccc(C[NH+]2CCC(c3nc4c(cccc4C)[nH]3)CC2)cc1 ZINC000072128368 216019706 /nfs/dbraw/zinc/01/97/06/216019706.db2.gz BKNOTHZDPPXLNE-UHFFFAOYSA-N 1 0 347.462 4.454 50 0 EIAARO Cc1ccc(SC2CC[NH+](Cc3cnc(N(C)C)s3)CC2)cc1 ZINC000072150788 216039303 /nfs/dbraw/zinc/03/93/03/216039303.db2.gz CMCDJMKBLXSIIX-UHFFFAOYSA-N 1 0 347.553 4.274 50 0 EIAARO Cc1nc(C2CC[NH+](Cc3cc4ccccc4s3)CC2)cc(=O)[nH]1 ZINC000072161829 216049839 /nfs/dbraw/zinc/04/98/39/216049839.db2.gz CVIZXWNVQNIHNH-UHFFFAOYSA-N 1 0 339.464 4.085 50 0 EIAARO CCCCC[NH+]1CCC2(CCN(C(=O)c3cccs3)CC2)CC1 ZINC000072162697 216052212 /nfs/dbraw/zinc/05/22/12/216052212.db2.gz BTJKORIIVOIXCS-UHFFFAOYSA-N 1 0 334.529 4.257 50 0 EIAARO CSc1ccccc1C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000072174132 216064505 /nfs/dbraw/zinc/06/45/05/216064505.db2.gz BTOAQEPIHKCQLD-UHFFFAOYSA-N 1 0 344.499 4.256 50 0 EIAARO Cc1c(C)n(C[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c2ccc(C)cc12 ZINC000028297102 212614251 /nfs/dbraw/zinc/61/42/51/212614251.db2.gz SILYRVYUBDNFOK-XLIONFOSSA-N 1 0 336.479 4.278 50 0 EIAARO Fc1cccc(CN2CCC[N@H+](Cc3ccc4occc4c3)CC2)c1 ZINC000072435506 216231220 /nfs/dbraw/zinc/23/12/20/216231220.db2.gz OTXIOJBOYHHPIK-UHFFFAOYSA-N 1 0 338.426 4.280 50 0 EIAARO C[N@H+](Cc1ccnn1-c1ccccc1)Cc1cccc2cnccc21 ZINC000072458456 216244193 /nfs/dbraw/zinc/24/41/93/216244193.db2.gz HJZFUMKMJZNPSM-UHFFFAOYSA-N 1 0 328.419 4.053 50 0 EIAARO Cc1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000024980149 212451782 /nfs/dbraw/zinc/45/17/82/212451782.db2.gz MTGXEAQGIOOIPZ-UHFFFAOYSA-N 1 0 336.907 4.006 50 0 EIAARO C[NH+](C)[C@H](CNc1ncnc2c3ccccc3oc21)c1cccs1 ZINC000023744770 212393636 /nfs/dbraw/zinc/39/36/36/212393636.db2.gz GFDFSWYJZGJEID-CYBMUJFWSA-N 1 0 338.436 4.152 50 0 EIAARO Cc1cc2c(cc1F)Sc1ccccc1C[C@@H]2N1CC[NH+](C)CC1 ZINC000022865721 212330170 /nfs/dbraw/zinc/33/01/70/212330170.db2.gz WDCMRUBHRJXTRJ-SFHVURJKSA-N 1 0 342.483 4.130 50 0 EIAARO CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000022696714 212317865 /nfs/dbraw/zinc/31/78/65/212317865.db2.gz FTNGLBYJDHNKIB-OAQYLSRUSA-N 1 0 336.479 4.092 50 0 EIAARO c1nc(CN2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)cs1 ZINC000215976721 241157174 /nfs/dbraw/zinc/15/71/74/241157174.db2.gz OTKWZAVLSGAOPW-FQEVSTJZSA-N 1 0 341.524 4.021 50 0 EIAARO Clc1cccc([C@@H]2CC[N@H+](Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000216459824 241195801 /nfs/dbraw/zinc/19/58/01/241195801.db2.gz VMQCEJRXCPVXPR-OAHLLOKOSA-N 1 0 347.915 4.386 50 0 EIAARO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@H](c4ccccc4C)C3)c2n1 ZINC000216499529 241197781 /nfs/dbraw/zinc/19/77/81/241197781.db2.gz SJMXBLOJSICKPF-SFHVURJKSA-N 1 0 334.467 4.034 50 0 EIAARO C[NH+]1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022032760 212272967 /nfs/dbraw/zinc/27/29/67/212272967.db2.gz XRYLGRGAWQSVQW-QGZVFWFLSA-N 1 0 344.911 4.336 50 0 in-man EIAARO Cc1ccc(-c2ccsc2C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000229713933 242190699 /nfs/dbraw/zinc/19/06/99/242190699.db2.gz HAXVMUZEKPPLPJ-MSOLQXFVSA-N 1 0 340.492 4.080 50 0 EIAARO CSc1cccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020774847 212170564 /nfs/dbraw/zinc/17/05/64/212170564.db2.gz OYVPQXHFSKHAOD-GOSISDBHSA-N 1 0 344.499 4.302 50 0 EIAARO c1c(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)onc1-c1ccncc1 ZINC000244882690 243096998 /nfs/dbraw/zinc/09/69/98/243096998.db2.gz XWPWPRAKJOMCKV-LJQANCHMSA-N 1 0 348.450 4.119 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(C)c(C)c1)[NH2+]CC2 ZINC000020506983 212141148 /nfs/dbraw/zinc/14/11/48/212141148.db2.gz NTXTUAGTHQGWIM-NRFANRHFSA-N 1 0 325.452 4.336 50 0 EIAARO Cc1ccc(Cn2cc(C[NH2+]CCCCCO)c3ccccc32)cc1 ZINC000248061826 243515777 /nfs/dbraw/zinc/51/57/77/243515777.db2.gz DEOPRWUIDDSZAV-UHFFFAOYSA-N 1 0 336.479 4.250 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@H](O)c1ccccc1 ZINC000020312664 212117430 /nfs/dbraw/zinc/11/74/30/212117430.db2.gz RRGVCYTYQVAYDT-XOBRGWDASA-N 1 0 325.383 4.297 50 0 EIAARO Cc1cc(Cl)cc(Cl)c1OCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020167299 212108178 /nfs/dbraw/zinc/10/81/78/212108178.db2.gz PSZZCODPUZXXGE-STQMWFEESA-N 1 0 332.271 4.180 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccc(OCc2cccs2)cc1)c1ccccc1 ZINC000020018549 212094105 /nfs/dbraw/zinc/09/41/05/212094105.db2.gz KJAXDZIHVZMEGA-FQEVSTJZSA-N 1 0 339.460 4.150 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1)c1ccccc1 ZINC000019990577 212092970 /nfs/dbraw/zinc/09/29/70/212092970.db2.gz XPNTXPOZXFWYIQ-SFHVURJKSA-N 1 0 327.811 4.423 50 0 EIAARO OC[C@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000019942960 212088577 /nfs/dbraw/zinc/08/85/77/212088577.db2.gz ZXNVOFMPUPOZDF-QHCPKHFHSA-N 1 0 331.459 4.292 50 0 EIAARO Clc1ccccc1CN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019360228 212021729 /nfs/dbraw/zinc/02/17/29/212021729.db2.gz ZWSNCXPKPRQXSL-UHFFFAOYSA-N 1 0 339.870 4.139 50 0 EIAARO Fc1ccc(-c2noc(C[N@H+](CC3CC3)C3CCCCC3)n2)cc1 ZINC000078459102 217055638 /nfs/dbraw/zinc/05/56/38/217055638.db2.gz RTCZKVZSNTVVBH-UHFFFAOYSA-N 1 0 329.419 4.420 50 0 EIAARO CC[NH+](CC)C[C@@H](Cn1c2ccccc2c2ccccc21)OC(C)=O ZINC000016839776 211936993 /nfs/dbraw/zinc/93/69/93/211936993.db2.gz VEPHTFQHPLUECZ-KRWDZBQOSA-N 1 0 338.451 4.068 50 0 EIAARO C[C@@H](c1ccccc1Cl)[N@H+](Cc1ccc2c(c1)nnn2C)C1CC1 ZINC000079105558 217194829 /nfs/dbraw/zinc/19/48/29/217194829.db2.gz GDNPILCRPMPEIE-ZDUSSCGKSA-N 1 0 340.858 4.347 50 0 EIAARO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cnc2ccsc2c1 ZINC000110704152 220059196 /nfs/dbraw/zinc/05/91/96/220059196.db2.gz JYHJNCFERKXGDJ-JDFRZJQESA-N 1 0 334.510 4.002 50 0 EIAARO Cc1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012809872 211462757 /nfs/dbraw/zinc/46/27/57/211462757.db2.gz IUPMUJYWPGJCSN-FXAWDEMLSA-N 1 0 337.467 4.342 50 0 EIAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000012480292 211391513 /nfs/dbraw/zinc/39/15/13/211391513.db2.gz PQOCOPRSWVNJBE-OAHLLOKOSA-N 1 0 348.468 4.019 50 0 EIAARO CC(C)(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)Nc3cccs3)CC2)C1 ZINC000012468030 211390339 /nfs/dbraw/zinc/39/03/39/211390339.db2.gz SWXKOWZGJKXGAV-MRXNPFEDSA-N 1 0 349.544 4.360 50 0 EIAARO O=C(NC[C@@H]1CCC[N@H+](CCCC2CCCC2)C1)c1ccc(F)cc1 ZINC000012453823 211386112 /nfs/dbraw/zinc/38/61/12/211386112.db2.gz AYJQCQCOPGDUCF-SFHVURJKSA-N 1 0 346.490 4.238 50 0 EIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)cc1 ZINC000012441372 211382800 /nfs/dbraw/zinc/38/28/00/211382800.db2.gz HCAGJSDZCSBDSS-QGZVFWFLSA-N 1 0 340.492 4.207 50 0 EIAARO Cc1ccccc1Oc1ncccc1C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000012438724 211382312 /nfs/dbraw/zinc/38/23/12/211382312.db2.gz JIMAOTAHEYSCLX-QGZVFWFLSA-N 1 0 340.467 4.477 50 0 EIAARO C=Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000012387273 211364461 /nfs/dbraw/zinc/36/44/61/211364461.db2.gz QDQBKRZXYMJBGY-JOCHJYFZSA-N 1 0 348.490 4.109 50 0 EIAARO c1[nH]nc([C@H]2CCC[N@@H+](C3CCSCC3)C2)c1Cc1ccccc1 ZINC000012246559 211329659 /nfs/dbraw/zinc/32/96/59/211329659.db2.gz IFTXWAMCNMOHBC-KRWDZBQOSA-N 1 0 341.524 4.076 50 0 EIAARO COc1ccccc1-c1cc2c(c(OC)c1)OCC[N@H+](CC(C)C)C2 ZINC000011998673 211277513 /nfs/dbraw/zinc/27/75/13/211277513.db2.gz OFGAUEBXMKVWQK-UHFFFAOYSA-N 1 0 341.451 4.221 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1)c1ccccc1Cl ZINC000011915263 211268267 /nfs/dbraw/zinc/26/82/67/211268267.db2.gz DTUDUCDZOUAWQJ-GOSISDBHSA-N 1 0 330.859 4.153 50 0 EIAARO Cc1ncc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)s1 ZINC000011878961 211263573 /nfs/dbraw/zinc/26/35/73/211263573.db2.gz OASOCFXPKYFLON-UHFFFAOYSA-N 1 0 344.524 4.049 50 0 EIAARO CCc1ccc(C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)o1 ZINC000011699304 211237961 /nfs/dbraw/zinc/23/79/61/211237961.db2.gz PODUDJYNNQJWOA-QFIPXVFZSA-N 1 0 341.495 4.439 50 0 EIAARO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1)c1cccs1 ZINC000011289260 211210631 /nfs/dbraw/zinc/21/06/31/211210631.db2.gz HSSZUDBDTGUJAR-HNAYVOBHSA-N 1 0 330.497 4.254 50 0 EIAARO Fc1ccc(CSC2=[NH+][C@@H]3CCCC[C@@H]3N2)c(Br)c1 ZINC000011171296 211207039 /nfs/dbraw/zinc/20/70/39/211207039.db2.gz YZIGHNMHQZWVFA-BETUJISGSA-N 1 0 343.265 4.092 50 0 EIAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)C2CC2)cc1 ZINC000010351408 211167805 /nfs/dbraw/zinc/16/78/05/211167805.db2.gz YKBYCKPRRQPDIL-UGSOOPFHSA-N 1 0 344.405 4.341 50 0 EIAARO O=C(NCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010336539 211166242 /nfs/dbraw/zinc/16/62/42/211166242.db2.gz ZFPAFHXIGQPFFG-UHFFFAOYSA-N 1 0 342.870 4.256 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000010035744 211143734 /nfs/dbraw/zinc/14/37/34/211143734.db2.gz DPOALMCWVPDCFQ-TXEJJXNPSA-N 1 0 339.361 4.233 50 0 EIAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(Cl)sc1Cl ZINC000009917315 211133375 /nfs/dbraw/zinc/13/33/75/211133375.db2.gz REXRQSDZVSMQBJ-UHFFFAOYSA-N 1 0 343.279 4.047 50 0 EIAARO CC(C)CC[C@@]1(CC[NH2+]C2CCN(C)CC2)CCO[C@@H](C(C)C)C1 ZINC000008992495 211028034 /nfs/dbraw/zinc/02/80/34/211028034.db2.gz UOPPJLUPPAPMDX-NHCUHLMSSA-N 1 0 338.580 4.318 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000095419571 218359259 /nfs/dbraw/zinc/35/92/59/218359259.db2.gz GFRDZYHAKFQRGS-HRAATJIYSA-N 1 0 347.462 4.337 50 0 EIAARO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)c(C)s1 ZINC000095419429 218359662 /nfs/dbraw/zinc/35/96/62/218359662.db2.gz OOGUYISZOWZHQH-UONOGXRCSA-N 1 0 326.469 4.357 50 0 EIAARO COc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)cc1 ZINC000095419659 218359799 /nfs/dbraw/zinc/35/97/99/218359799.db2.gz PRAFCOBFQAMKGW-HNNXBMFYSA-N 1 0 338.451 4.285 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc(Cl)s1 ZINC000095420154 218360482 /nfs/dbraw/zinc/36/04/82/218360482.db2.gz ZOHFTIHYOPXZAO-CYBMUJFWSA-N 1 0 331.872 4.497 50 0 EIAARO CC(C)C[C@H]([NH2+]Cc1ccnc(N2CCCCC2)c1)c1ccccn1 ZINC000095420486 218360977 /nfs/dbraw/zinc/36/09/77/218360977.db2.gz XBCLLRVVKXUBFU-FQEVSTJZSA-N 1 0 338.499 4.344 50 0 EIAARO COc1ccccc1[C@@H](C)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000095421652 218364400 /nfs/dbraw/zinc/36/44/00/218364400.db2.gz KTSCLZSBZYGSNT-LSDHHAIUSA-N 1 0 326.440 4.108 50 0 EIAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000005051361 210376245 /nfs/dbraw/zinc/37/62/45/210376245.db2.gz GEUQJHGDWUFPCL-LAUBAEHRSA-N 1 0 334.463 4.047 50 0 EIAARO CCC[NH+]1CCC(NC(=S)Nc2ccc([C@H](C)CC)cc2)CC1 ZINC000005041968 210372532 /nfs/dbraw/zinc/37/25/32/210372532.db2.gz OGXPXIBOSCLNSV-OAHLLOKOSA-N 1 0 333.545 4.361 50 0 EIAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccccc1C ZINC000005019495 210363387 /nfs/dbraw/zinc/36/33/87/210363387.db2.gz UYKCNDZALBTAFU-UHFFFAOYSA-N 1 0 337.419 4.465 50 0 EIAARO COc1ccc(C[C@H](C)[NH2+]CCc2cccc(Cl)c2)cc1OC ZINC000004989464 210350729 /nfs/dbraw/zinc/35/07/29/210350729.db2.gz ZOYFTYFFKMZGGJ-AWEZNQCLSA-N 1 0 333.859 4.121 50 0 EIAARO COc1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1Cl ZINC000004942950 210334729 /nfs/dbraw/zinc/33/47/29/210334729.db2.gz CYGRESWYHLLNNR-UHFFFAOYSA-N 1 0 328.799 4.293 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000004776937 210276119 /nfs/dbraw/zinc/27/61/19/210276119.db2.gz UXMJITOZBAWGQO-HDICACEKSA-N 1 0 348.490 4.428 50 0 EIAARO O=C(C[NH+]1CCCCCCC1)Nc1ccc(SC(F)F)cc1 ZINC000006939805 258052617 /nfs/dbraw/zinc/05/26/17/258052617.db2.gz CGHBUDDJYLSDQC-UHFFFAOYSA-N 1 0 328.428 4.206 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc2ccccc2n1 ZINC000089905145 258066372 /nfs/dbraw/zinc/06/63/72/258066372.db2.gz SWJZHMCQBRRLHF-KRWDZBQOSA-N 1 0 342.446 4.330 50 0 EIAARO c1cnn(Cc2ccc(C[N@@H+]3CCCC[C@H]3c3ccccn3)cc2)c1 ZINC000216019000 258072108 /nfs/dbraw/zinc/07/21/08/258072108.db2.gz BGRSOKNCSLCOJQ-NRFANRHFSA-N 1 0 332.451 4.054 50 0 EIAARO CCCn1nc(C[NH2+][C@@H](C)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000248020287 258072961 /nfs/dbraw/zinc/07/29/61/258072961.db2.gz UMYNKSRAYPCTGX-SFHVURJKSA-N 1 0 348.494 4.466 50 0 EIAARO CSc1ccc(NC(=O)N(C)[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000299768186 258082788 /nfs/dbraw/zinc/08/27/88/258082788.db2.gz GXXJUGUDWSLYPE-SFHVURJKSA-N 1 0 343.496 4.175 50 0 EIAARO Clc1ccccc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000057426032 132200475 /nfs/dbraw/zinc/20/04/75/132200475.db2.gz GEQMOPVFDZGSOO-UHFFFAOYSA-N 1 0 337.854 4.210 50 0 EIAARO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996843 226106337 /nfs/dbraw/zinc/10/63/37/226106337.db2.gz QNWGPYRIGBWJJF-IYOUNJFTSA-N 1 0 333.476 4.016 50 0 EIAARO CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1(C)C ZINC000229793923 535371880 /nfs/dbraw/zinc/37/18/80/535371880.db2.gz VINKXWSOYAMQEJ-XUVXKRRUSA-N 1 0 346.559 4.195 50 0 EIAARO C[C@@H]1Cc2scc[n+]2-c2ccccc2N1C(=O)Nc1ccccc1 ZINC000000112684 563230466 /nfs/dbraw/zinc/23/04/66/563230466.db2.gz LQRPCYMQZDSDJD-CQSZACIVSA-O 1 0 336.440 4.008 50 0 EIAARO O[C@@]1(c2ccccc2)CN2CCCCCC2=[N+]1c1ccc(Cl)cc1 ZINC000000392187 563304145 /nfs/dbraw/zinc/30/41/45/563304145.db2.gz MELDCHYPEUNVCK-HXUWFJFHSA-N 1 0 341.862 4.117 50 0 EIAARO CCCC[NH+](CCCC)C[C@H](O)COc1ccc2ccccc2c1 ZINC000002665517 563601246 /nfs/dbraw/zinc/60/12/46/563601246.db2.gz UVHTXGIKEBXGSW-FQEVSTJZSA-N 1 0 329.484 4.482 50 0 EIAARO CC[C@H](C)[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000008326716 563626825 /nfs/dbraw/zinc/62/68/25/563626825.db2.gz KYAZAVCFDKWATR-ZDUSSCGKSA-N 1 0 334.847 4.211 50 0 EIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2cn3ccccc3n2)cc1 ZINC000071924154 563649653 /nfs/dbraw/zinc/64/96/53/563649653.db2.gz XPANORKTEFVZQC-FQEVSTJZSA-N 1 0 335.451 4.460 50 0 EIAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000032611678 563665409 /nfs/dbraw/zinc/66/54/09/563665409.db2.gz HHKSZPNOFHQSPQ-QGZVFWFLSA-N 1 0 348.368 4.309 50 0 EIAARO Cc1cccc(NC(=O)C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)c1C ZINC000014021428 563736587 /nfs/dbraw/zinc/73/65/87/563736587.db2.gz BMBSYRKRBFWPBY-UHFFFAOYSA-N 1 0 340.511 4.390 50 0 EIAARO O=C(NCCC[NH2+]C1CCCCC1)Nc1cccc2ccccc21 ZINC000032824185 563755436 /nfs/dbraw/zinc/75/54/36/563755436.db2.gz ZSDDGDQAEXLYRG-UHFFFAOYSA-N 1 0 325.456 4.274 50 0 EIAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000014960725 563768685 /nfs/dbraw/zinc/76/86/85/563768685.db2.gz HFGABUYPFWXEFG-QGZVFWFLSA-N 1 0 341.476 4.209 50 0 EIAARO CC(C)=CCC[C@H](C)C[NH+]1CCC(CCC(=O)N2CCCC2)CC1 ZINC000015073014 563776044 /nfs/dbraw/zinc/77/60/44/563776044.db2.gz KQVJFCWZXVQXBW-IBGZPJMESA-N 1 0 334.548 4.484 50 0 EIAARO COC[C@@H](C)[NH2+]C1CCN(c2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000019228502 563855230 /nfs/dbraw/zinc/85/52/30/563855230.db2.gz NHMFMOKLGNLTTJ-GOSISDBHSA-N 1 0 338.495 4.255 50 0 EIAARO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000024673523 563874046 /nfs/dbraw/zinc/87/40/46/563874046.db2.gz GMPZXMGBSODXDZ-HNNXBMFYSA-N 1 0 326.415 4.065 50 0 EIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccccc1F ZINC000024894767 563877236 /nfs/dbraw/zinc/87/72/36/563877236.db2.gz IKDGQAADWGVKGF-UHFFFAOYSA-N 1 0 333.451 4.136 50 0 EIAARO C=C1c2ccccc2NC(=O)N1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000025057160 563880501 /nfs/dbraw/zinc/88/05/01/563880501.db2.gz HWZCTTUNRVLBSU-QGZVFWFLSA-N 1 0 339.464 4.403 50 0 EIAARO Fc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222472 563894887 /nfs/dbraw/zinc/89/48/87/563894887.db2.gz XEORSQHNGCVMDU-HXUWFJFHSA-N 1 0 335.426 4.238 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1)c1ccccc1Cl ZINC000027578774 563896822 /nfs/dbraw/zinc/89/68/22/563896822.db2.gz SJECBYCVETZLLB-IBGZPJMESA-N 1 0 344.886 4.082 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)cc1)c1ccccc1Cl ZINC000027579723 563896876 /nfs/dbraw/zinc/89/68/76/563896876.db2.gz AQXYUIWCSUQOFR-GOSISDBHSA-N 1 0 348.849 4.292 50 0 EIAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000028074346 563901398 /nfs/dbraw/zinc/90/13/98/563901398.db2.gz FWYDSGLISKZDDH-OAQYLSRUSA-N 1 0 330.431 4.443 50 0 EIAARO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000033039541 563933039 /nfs/dbraw/zinc/93/30/39/563933039.db2.gz XXPZMIDMEJXTEW-LSDHHAIUSA-N 1 0 342.405 4.213 50 0 EIAARO Cc1sc2ncnc(NC[C@@H](c3ccc(F)cc3)[NH+](C)C)c2c1C ZINC000059394179 563948846 /nfs/dbraw/zinc/94/88/46/563948846.db2.gz KMYZCCDHWXFYII-HNNXBMFYSA-N 1 0 344.459 4.162 50 0 EIAARO Cc1nc(-c2c(-c3ccccc3)ncn2CCCC[NH+]2CCCC2)c[nH]1 ZINC000065372137 563958486 /nfs/dbraw/zinc/95/84/86/563958486.db2.gz UFGCZCCEWZZARR-UHFFFAOYSA-N 1 0 349.482 4.125 50 0 EIAARO C[C@@H]([NH2+]Cc1csc2ccc(Cl)cc12)C(=O)NC1CCCC1 ZINC000065397683 563959718 /nfs/dbraw/zinc/95/97/18/563959718.db2.gz TUUQCFRCJZZKCN-LLVKDONJSA-N 1 0 336.888 4.092 50 0 EIAARO CCc1ccc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)s1 ZINC000126496787 563963340 /nfs/dbraw/zinc/96/33/40/563963340.db2.gz YULWCCRXVZOZAI-ZDUSSCGKSA-N 1 0 326.469 4.050 50 0 EIAARO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCn2cccc2)CCO3)cc1 ZINC000071278588 563964050 /nfs/dbraw/zinc/96/40/50/563964050.db2.gz WDSYBSABMOYGPY-UHFFFAOYSA-N 1 0 348.446 4.064 50 0 EIAARO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1ccc2ccccc2n1 ZINC000071767417 563965508 /nfs/dbraw/zinc/96/55/08/563965508.db2.gz ININYCUHIGCQCT-NRFANRHFSA-N 1 0 348.490 4.439 50 0 EIAARO Brc1ccc2[nH]c(C[N@@H+]3CC[C@H]4CCCC[C@@H]43)nc2c1 ZINC000097141142 563968283 /nfs/dbraw/zinc/96/82/83/563968283.db2.gz BBEKGSQQVIMMNP-ABAIWWIYSA-N 1 0 334.261 4.090 50 0 EIAARO CC1(C)C[C@H]([NH2+]Cc2ncc(-c3ccc(Cl)cc3)o2)C(C)(C)O1 ZINC000097164309 563968479 /nfs/dbraw/zinc/96/84/79/563968479.db2.gz RRUFBGMALPDSQC-HNNXBMFYSA-N 1 0 334.847 4.431 50 0 EIAARO Cc1cc(C)cc(NC(=S)N2CCC([N@@H+](C)CCC(C)C)CC2)c1 ZINC000000261585 563989668 /nfs/dbraw/zinc/98/96/68/563989668.db2.gz QXEJFMZLWSMWTB-UHFFFAOYSA-N 1 0 347.572 4.443 50 0 EIAARO CC1(C)CC(NC(=O)c2cc(Cl)ccc2Cl)CC(C)(C)[NH2+]1 ZINC000000382705 563991963 /nfs/dbraw/zinc/99/19/63/563991963.db2.gz PDOFPQBUOQXZLC-UHFFFAOYSA-N 1 0 329.271 4.032 50 0 EIAARO Cc1nccn1[C@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000069920510 563995223 /nfs/dbraw/zinc/99/52/23/563995223.db2.gz SEEHORDJRZIDQU-JTQLQIEISA-N 1 0 344.267 4.037 50 0 EIAARO Cc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)o1 ZINC000000189118 564006024 /nfs/dbraw/zinc/00/60/24/564006024.db2.gz CGEXVAQJSLYJKI-UHFFFAOYSA-N 1 0 338.455 4.036 50 0 EIAARO COc1ccc(C[C@@H]([NH2+]Cc2ccncc2)c2ccc(OC)cc2)cc1 ZINC000017317786 564011669 /nfs/dbraw/zinc/01/16/69/564011669.db2.gz DKDDJOYZJOXQBO-JOCHJYFZSA-N 1 0 348.446 4.172 50 0 EIAARO C[C@@H](O)C[N@H+](C)CC/C=C1\c2ccccc2CSc2ccccc21 ZINC000104973530 564024458 /nfs/dbraw/zinc/02/44/58/564024458.db2.gz RZTBVIDBPCDVPL-YDDPGSGASA-N 1 0 339.504 4.427 50 0 EIAARO CCCCc1ccc(CC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000120276029 564025184 /nfs/dbraw/zinc/02/51/84/564025184.db2.gz RHLAPKZVZSYVRR-SFHVURJKSA-N 1 0 325.456 4.049 50 0 EIAARO CCCCc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 ZINC000120275867 564025207 /nfs/dbraw/zinc/02/52/07/564025207.db2.gz RHLAPKZVZSYVRR-GOSISDBHSA-N 1 0 325.456 4.049 50 0 EIAARO Cc1nc([C@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)oc1-c1ccc(Cl)cc1 ZINC000107524042 564026980 /nfs/dbraw/zinc/02/69/80/564026980.db2.gz GZBBSPDLFBKPEA-IFXJQAMLSA-N 1 0 346.858 4.477 50 0 EIAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000044857411 564027177 /nfs/dbraw/zinc/02/71/77/564027177.db2.gz LPRLPJGMYKIRJW-GDBMZVCRSA-N 1 0 348.512 4.213 50 0 EIAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2nc3ccccc3s2)C1 ZINC000108358169 564028151 /nfs/dbraw/zinc/02/81/51/564028151.db2.gz NVFGKXYPOQYVPS-PBPBQWCVSA-N 1 0 336.526 4.027 50 0 EIAARO CC(=O)Nc1ccc(C[NH2+]CCSc2ccc(C)c(C)c2)cc1 ZINC000048354753 564031401 /nfs/dbraw/zinc/03/14/01/564031401.db2.gz VNTGSLNRUIRKLH-UHFFFAOYSA-N 1 0 328.481 4.144 50 0 EIAARO C[C@@H](NC(=O)Cc1cn2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000032083211 564035922 /nfs/dbraw/zinc/03/59/22/564035922.db2.gz WFHYWIGHASDZEQ-LLVKDONJSA-N 1 0 348.233 4.061 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2ccc(F)cc2s1)c1cccs1 ZINC000032747940 564036162 /nfs/dbraw/zinc/03/61/62/564036162.db2.gz OFJJVXCRVBAYGU-ZDUSSCGKSA-N 1 0 348.468 4.135 50 0 EIAARO CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C[NH3+])cc1C ZINC000606422378 564043404 /nfs/dbraw/zinc/04/34/04/564043404.db2.gz STWAUDJOYCOPET-UHFFFAOYSA-N 1 0 335.451 4.485 50 0 EIAARO Cc1nc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000225333770 564046039 /nfs/dbraw/zinc/04/60/39/564046039.db2.gz ZJFWYQUUFHJRQS-BFUOFWGJSA-N 1 0 348.874 4.286 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(OC)c(OC)c3)oc21 ZINC000028925818 564047609 /nfs/dbraw/zinc/04/76/09/564047609.db2.gz ISWPEKIWRPQSAZ-ZDUSSCGKSA-N 1 0 341.407 4.309 50 0 EIAARO CC(C)CC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000241287095 564051917 /nfs/dbraw/zinc/05/19/17/564051917.db2.gz LJVHNVYQMGPRIL-WQHGSSGSSA-N 1 0 348.918 4.416 50 0 EIAARO CCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000247987363 564052880 /nfs/dbraw/zinc/05/28/80/564052880.db2.gz JFGGTLXNTPPWPC-UHFFFAOYSA-N 1 0 340.858 4.146 50 0 EIAARO CCN(CC)CC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248234564 564053060 /nfs/dbraw/zinc/05/30/60/564053060.db2.gz DDXWXTUWMUALGD-UHFFFAOYSA-N 1 0 335.495 4.121 50 0 EIAARO CCOCCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000248287751 564053148 /nfs/dbraw/zinc/05/31/48/564053148.db2.gz GYTBZWHHKLFKQY-UHFFFAOYSA-N 1 0 340.442 4.345 50 0 EIAARO C[N@H+](CCCNc1[nH]c(=S)nc2ccccc21)Cc1ccccc1 ZINC000034861115 564056991 /nfs/dbraw/zinc/05/69/91/564056991.db2.gz GPIYZTHSVVSFBY-UHFFFAOYSA-N 1 0 338.480 4.226 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000005954497 564057281 /nfs/dbraw/zinc/05/72/81/564057281.db2.gz FVGFBPCNUYQRDN-XMSQKQJNSA-N 1 0 347.458 4.444 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000006007728 564057562 /nfs/dbraw/zinc/05/75/62/564057562.db2.gz YYTKDJBCMXAENE-BETUJISGSA-N 1 0 330.453 4.017 50 0 EIAARO Cc1ccc([C@H](OCC[NH+](C)C)c2ccc(Br)cc2)cc1 ZINC000001999804 564058147 /nfs/dbraw/zinc/05/81/47/564058147.db2.gz PENMVPDWHVWJAC-SFHVURJKSA-N 1 0 348.284 4.425 50 0 EIAARO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCOc4ccccc42)C3)cc1 ZINC000248408658 564064734 /nfs/dbraw/zinc/06/47/34/564064734.db2.gz CGJFPXBAYQZJKY-XAPVIXHLSA-N 1 0 348.490 4.295 50 0 EIAARO CC(C)(C)c1nnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)s1 ZINC000084325425 564067817 /nfs/dbraw/zinc/06/78/17/564067817.db2.gz OGQZNCCAVMDQGT-CYBMUJFWSA-N 1 0 334.489 4.068 50 0 EIAARO c1ccc(-c2cccc(C[NH2+]Cc3ccc4c(c3)OCCO4)c2)cc1 ZINC000084562771 564068715 /nfs/dbraw/zinc/06/87/15/564068715.db2.gz JMAJEOIRNOWSDT-UHFFFAOYSA-N 1 0 331.415 4.415 50 0 EIAARO Cc1cccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012782214 564070029 /nfs/dbraw/zinc/07/00/29/564070029.db2.gz UASGSKCAXINGKU-YLJYHZDGSA-N 1 0 337.467 4.342 50 0 EIAARO Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012782220 564070058 /nfs/dbraw/zinc/07/00/58/564070058.db2.gz UASGSKCAXINGKU-XLIONFOSSA-N 1 0 337.467 4.342 50 0 EIAARO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CCC[C@@H](C(C)C)CC3)nc(=O)c2c1C ZINC000225432656 564084313 /nfs/dbraw/zinc/08/43/13/564084313.db2.gz VIXKSAZKHSYMDJ-UKRRQHHQSA-N 1 0 347.528 4.421 50 0 EIAARO CCc1ccc([C@H](C)[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)o1 ZINC000090667707 564085824 /nfs/dbraw/zinc/08/58/24/564085824.db2.gz HFUDNXZUWOLPKJ-JKSUJKDBSA-N 1 0 327.472 4.113 50 0 EIAARO COc1cc(-c2cc(C)cc(C[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000426405224 564093617 /nfs/dbraw/zinc/09/36/17/564093617.db2.gz ZARQGIBOCYFSPC-UHFFFAOYSA-N 1 0 341.451 4.284 50 0 EIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCCCCC4)[C@H]3C=C12 ZINC000006623680 564094590 /nfs/dbraw/zinc/09/45/90/564094590.db2.gz UCPHWVCWCWZMDK-YAOJWGSESA-N 1 0 331.500 4.177 50 0 biogenic EIAARO Cc1cc(NC(=O)[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c2ccccc2)no1 ZINC000065586429 564107747 /nfs/dbraw/zinc/10/77/47/564107747.db2.gz PRESOVRBDLIODM-VGDUNAEUSA-N 1 0 341.455 4.077 50 0 EIAARO Cc1oc(-c2ccccc2)c(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1C ZINC000170602147 564109475 /nfs/dbraw/zinc/10/94/75/564109475.db2.gz OCFOSVBEFKRBSR-OAHLLOKOSA-N 1 0 340.467 4.168 50 0 EIAARO Cc1oc(-c2ccccc2)c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000170602146 564109495 /nfs/dbraw/zinc/10/94/95/564109495.db2.gz OCFOSVBEFKRBSR-HNNXBMFYSA-N 1 0 340.467 4.168 50 0 EIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000252438242 564118400 /nfs/dbraw/zinc/11/84/00/564118400.db2.gz JTFAPYUEBOLXAA-KZEVZHLLSA-N 1 0 333.516 4.176 50 0 EIAARO CC(C)c1ccc(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000252457203 564118572 /nfs/dbraw/zinc/11/85/72/564118572.db2.gz NBZWKSXFOKSUSU-HZPDHXFCSA-N 1 0 333.545 4.359 50 0 EIAARO COc1ccccc1C[C@H](C)[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000170669664 564121274 /nfs/dbraw/zinc/12/12/74/564121274.db2.gz FRCBQYITQVKREN-MGPUTAFESA-N 1 0 337.467 4.489 50 0 EIAARO O[C@@H](COc1ccc(C[NH2+]Cc2ccccc2)cc1)c1ccccc1 ZINC000007779650 564123102 /nfs/dbraw/zinc/12/31/02/564123102.db2.gz CFEGXTUVJWYREU-QFIPXVFZSA-N 1 0 333.431 4.089 50 0 EIAARO O[C@@H](C[C@@H]1CCCCCN1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416131 564130718 /nfs/dbraw/zinc/13/07/18/564130718.db2.gz WJVHRCCVMUSQPT-HOTGVXAUSA-N 1 0 330.428 4.013 50 0 EIAARO O=C(c1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1)N1CCCCC1 ZINC000253420167 564130998 /nfs/dbraw/zinc/13/09/98/564130998.db2.gz VTVAZPTVTCHLQO-OAQYLSRUSA-N 1 0 349.478 4.045 50 0 EIAARO CC(C)CC(=O)Nc1ccc(C[N@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000095461565 564140766 /nfs/dbraw/zinc/14/07/66/564140766.db2.gz JUSHNMWPKVYQOI-HXUWFJFHSA-N 1 0 346.515 4.451 50 0 EIAARO C[C@@](O)(C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000095467442 564141113 /nfs/dbraw/zinc/14/11/13/564141113.db2.gz DTQBCYIHDQFTNM-LEWJYISDSA-N 1 0 343.417 4.398 50 0 EIAARO Fc1ccc(Br)cc1CSC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000095956236 564142561 /nfs/dbraw/zinc/14/25/61/564142561.db2.gz KQYYUANLRDPNOY-BETUJISGSA-N 1 0 343.265 4.092 50 0 EIAARO Cc1[nH]c2ccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)cc2c1C ZINC000095965333 564142941 /nfs/dbraw/zinc/14/29/41/564142941.db2.gz WNCXSLNHDJGAIA-UHFFFAOYSA-N 1 0 334.467 4.070 50 0 EIAARO C[C@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)c1ccncc1 ZINC000095967103 564142986 /nfs/dbraw/zinc/14/29/86/564142986.db2.gz HASZEFNXAZPMFZ-QFYYESIMSA-N 1 0 335.220 4.321 50 0 EIAARO CS[C@H]1CCCC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000095967433 564143035 /nfs/dbraw/zinc/14/30/35/564143035.db2.gz MUNJNPOELPDDNT-MSOLQXFVSA-N 1 0 337.504 4.138 50 0 EIAARO COc1ccc([C@H](C)[NH2+]CCOC2CCCCCC2)cc1NC(C)=O ZINC000095968164 564143134 /nfs/dbraw/zinc/14/31/34/564143134.db2.gz NBQPNIDHAXMJDZ-HNNXBMFYSA-N 1 0 348.487 4.044 50 0 EIAARO CCc1noc(C2CCC([NH2+][C@H]3C[C@@H](C)c4ccccc43)CC2)n1 ZINC000095996914 564144300 /nfs/dbraw/zinc/14/43/00/564144300.db2.gz DXZNTCNRZUVPMM-RMYJWEKJSA-N 1 0 325.456 4.496 50 0 EIAARO OC1(c2cccc(Cl)c2)CCC([NH2+]CCc2ccccc2)CC1 ZINC000096009132 564144624 /nfs/dbraw/zinc/14/46/24/564144624.db2.gz CJHIKLSIKBRSEE-UHFFFAOYSA-N 1 0 329.871 4.303 50 0 EIAARO COc1cc[nH+]c(N[C@@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000097038797 564149281 /nfs/dbraw/zinc/14/92/81/564149281.db2.gz QKVIEWATRIOBRO-NSHDSACASA-N 1 0 326.425 4.090 50 0 EIAARO CN(C)CC[NH2+][C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000022593962 564149595 /nfs/dbraw/zinc/14/95/95/564149595.db2.gz DYRGNAWDGFZLMW-INIZCTEOSA-N 1 0 332.900 4.240 50 0 EIAARO Cc1csc(C2([NH2+]CC[C@@H](C)c3ccccc3)CCOCC2)n1 ZINC000225585972 564149838 /nfs/dbraw/zinc/14/98/38/564149838.db2.gz FZGLUEYCXNAWHM-OAHLLOKOSA-N 1 0 330.497 4.241 50 0 EIAARO C[C@H](NC(=S)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211493 564156017 /nfs/dbraw/zinc/15/60/17/564156017.db2.gz FXPQNIMLKQBNIY-WMLDXEAASA-N 1 0 345.537 4.260 50 0 EIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000032398800 564161399 /nfs/dbraw/zinc/16/13/99/564161399.db2.gz SFHCTNZAQQQRRG-UHFFFAOYSA-N 1 0 344.458 4.018 50 0 EIAARO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@H]1CCCc2ccccc21 ZINC000008126391 564162847 /nfs/dbraw/zinc/16/28/47/564162847.db2.gz MFYPFKDTUSASQY-SFHVURJKSA-N 1 0 346.833 4.427 50 0 EIAARO CC[NH2+]Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000008428748 564165264 /nfs/dbraw/zinc/16/52/64/564165264.db2.gz OHNYSKQXGIAFMD-UHFFFAOYSA-N 1 0 325.387 4.222 50 0 EIAARO CCN(CC)c1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717371 564166804 /nfs/dbraw/zinc/16/68/04/564166804.db2.gz OXBIWWONYGMPNW-OAHLLOKOSA-N 1 0 341.499 4.327 50 0 EIAARO COc1ccc2cc(C[NH2+][C@H](C)c3ccc4c(c3)OCCO4)ccc2c1 ZINC000008728632 564167036 /nfs/dbraw/zinc/16/70/36/564167036.db2.gz XYVFZDGEXMQRIO-OAHLLOKOSA-N 1 0 349.430 4.470 50 0 EIAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000077300058 564176684 /nfs/dbraw/zinc/17/66/84/564176684.db2.gz PHBTYEIIZMHLIW-OAHLLOKOSA-N 1 0 344.455 4.386 50 0 EIAARO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000888101158 1026023339 /nfs/dbraw/zinc/02/33/39/1026023339.db2.gz KQAAGFXJXLBZLA-CYBMUJFWSA-N 1 0 342.393 4.364 50 0 EIAARO CCO[C@H](C[NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1 ZINC000194469538 1026917942 /nfs/dbraw/zinc/91/79/42/1026917942.db2.gz ZYPWRERIOGSRLA-QGZVFWFLSA-N 1 0 341.480 4.141 50 0 EIAARO OC[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)C1 ZINC000023114988 1027731108 /nfs/dbraw/zinc/73/11/08/1027731108.db2.gz HPPZPHOCCXKJNK-MRXNPFEDSA-N 1 0 331.843 4.337 50 0 EIAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000000207457 1029887492 /nfs/dbraw/zinc/88/74/92/1029887492.db2.gz PJCLDWQOWBBYNN-UHFFFAOYSA-N 1 0 333.431 4.415 50 0 EIAARO O[C@H](C[NH2+]Cc1ccc2occc2c1)c1ccc(C(F)(F)F)cc1 ZINC000808426326 1034801059 /nfs/dbraw/zinc/80/10/59/1034801059.db2.gz QVZHGAOPXYAJMS-MRXNPFEDSA-N 1 0 335.325 4.275 50 0 EIAARO CC(C)C[N@@H+]1C[C@@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257175680 1036174897 /nfs/dbraw/zinc/17/48/97/1036174897.db2.gz QOEOOZLKNAUCEI-KRWDZBQOSA-N 1 0 325.456 4.352 50 0 EIAARO CC[N@@H+]1CCC[C@@H](c2nnc3cc(C)c4ccc(Cl)cc4n32)C1 ZINC000032537478 1040765526 /nfs/dbraw/zinc/76/55/26/1040765526.db2.gz RCMNRMPLGWKLLI-CYBMUJFWSA-N 1 0 328.847 4.044 50 0 EIAARO O=C(Nc1ccccc1Oc1ccccc1Cl)[C@H]1CCC[NH2+]C1 ZINC000151900937 1042531428 /nfs/dbraw/zinc/53/14/28/1042531428.db2.gz GZIIJUFJNFBAHT-ZDUSSCGKSA-N 1 0 330.815 4.070 50 0 EIAARO CCCC[C@H](NC(=O)CC[NH+]1CCCCCCC1)c1cccnc1 ZINC000822830886 1044172723 /nfs/dbraw/zinc/17/27/23/1044172723.db2.gz BODHKAXVCWSDEV-IBGZPJMESA-N 1 0 331.504 4.085 50 0 EIAARO CSc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000012227870 1044412710 /nfs/dbraw/zinc/41/27/10/1044412710.db2.gz IFROUXZTWMUQPG-OAQYLSRUSA-N 1 0 341.520 4.226 50 0 EIAARO COc1cccc(N2CCC([NH2+]CCCc3ccccc3F)CC2)c1 ZINC000824782154 1044531761 /nfs/dbraw/zinc/53/17/61/1044531761.db2.gz LVILQFFPMJHAAX-UHFFFAOYSA-N 1 0 342.458 4.026 50 0 EIAARO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)[C@@H]1COc2ccccc2O1 ZINC000012383357 1045134256 /nfs/dbraw/zinc/13/42/56/1045134256.db2.gz OHTRLVBZKDEHOY-UTKZUKDTSA-N 1 0 337.463 4.317 50 0 EIAARO CCCn1c(C)cnc1C[C@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000575317483 1045212448 /nfs/dbraw/zinc/21/24/48/1045212448.db2.gz KTCCKDCZSDHAKD-LJQANCHMSA-N 1 0 341.499 4.065 50 0 EIAARO COc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000005513302 1046378484 /nfs/dbraw/zinc/37/84/84/1046378484.db2.gz MDZAEIOWTPKGOW-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO Cc1cccc(CC2(O)CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)c1 ZINC000585080246 1049383399 /nfs/dbraw/zinc/38/33/99/1049383399.db2.gz RDPSYRWZWHOGTA-SFHVURJKSA-N 1 0 337.454 4.190 50 0 EIAARO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cs1 ZINC000585081324 1049389409 /nfs/dbraw/zinc/38/94/09/1049389409.db2.gz DMHOKPDXXHOLFF-IBGZPJMESA-N 1 0 343.496 4.198 50 0 EIAARO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1ccc2cc(Cl)ccc2n1 ZINC000952868342 1049678147 /nfs/dbraw/zinc/67/81/47/1049678147.db2.gz LAPLRUFBNBUZOY-GOSISDBHSA-N 1 0 342.874 4.289 50 0 EIAARO c1cc([C@@H]2CCCCO2)oc1C[NH2+]CCN1CCCc2ccccc21 ZINC000952872462 1049678884 /nfs/dbraw/zinc/67/88/84/1049678884.db2.gz QAIBKXPUZAOQCB-FQEVSTJZSA-N 1 0 340.467 4.064 50 0 EIAARO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1ccc2cc(Cl)ccc2n1 ZINC000952868343 1049679394 /nfs/dbraw/zinc/67/93/94/1049679394.db2.gz LAPLRUFBNBUZOY-SFHVURJKSA-N 1 0 342.874 4.289 50 0 EIAARO C[C@H](CCSc1ccc(F)cc1)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000952980364 1049686995 /nfs/dbraw/zinc/68/69/95/1049686995.db2.gz XASCQGDBBFQBAH-GFCCVEGCSA-N 1 0 345.443 4.068 50 0 EIAARO COc1ccc2c(c1)C(c1ccc(F)cc1)=C(C[NH+]1CCCC1)CO2 ZINC000114813851 1054164909 /nfs/dbraw/zinc/16/49/09/1054164909.db2.gz VMMKGVRPILDZML-UHFFFAOYSA-N 1 0 339.410 4.124 50 0 EIAARO c1cc(C2CC[NH+](Cc3ccc([C@H]4CCCCO4)s3)CC2)n[nH]1 ZINC000097674426 219045822 /nfs/dbraw/zinc/04/58/22/219045822.db2.gz YKHGZAFNRWAOPH-QGZVFWFLSA-N 1 0 331.485 4.092 50 0 EIAARO COC(=O)c1ccc[n+]2c1S[C@@H](c1ccccc1)[C@H]2c1ccccc1 ZINC000004721243 210259014 /nfs/dbraw/zinc/25/90/14/210259014.db2.gz QOLQJCGZAPBVRP-MOPGFXCFSA-N 1 0 348.447 4.197 50 0 EIAARO C[C@H]([NH2+]Cc1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000054203689 214225098 /nfs/dbraw/zinc/22/50/98/214225098.db2.gz SIZDTNXPJGYTGQ-HNNXBMFYSA-N 1 0 349.409 4.324 50 0 EIAARO O=c1cc(C[N@H+](Cc2ccccc2)C2CCCCC2)nc2ccccn12 ZINC000054268925 214229076 /nfs/dbraw/zinc/22/90/76/214229076.db2.gz CFGGNSLWIVHDCI-UHFFFAOYSA-N 1 0 347.462 4.029 50 0 EIAARO COCc1ncc(C[N@H+](C)[C@@H](CCC(C)C)c2ccccc2)cn1 ZINC000055036811 214266317 /nfs/dbraw/zinc/26/63/17/214266317.db2.gz SVYRHUNRRNMEQD-IBGZPJMESA-N 1 0 327.472 4.232 50 0 EIAARO O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]1c1ccccc1 ZINC000097758051 219054477 /nfs/dbraw/zinc/05/44/77/219054477.db2.gz ZRUYRBJAQNAVCP-NHCUHLMSSA-N 1 0 334.463 4.131 50 0 EIAARO CCC[NH+](CCC)Cc1ccc(C(=O)N(C)[C@H](C)c2ccon2)cc1 ZINC000055358068 214311469 /nfs/dbraw/zinc/31/14/69/214311469.db2.gz BIIKFYFNCYOFCH-MRXNPFEDSA-N 1 0 343.471 4.130 50 0 EIAARO CN(Cc1cc(-c2ccccc2)on1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055358052 214311959 /nfs/dbraw/zinc/31/19/59/214311959.db2.gz DEJXBUGWCYMJEY-AZUAARDMSA-N 1 0 339.483 4.038 50 0 EIAARO Cc1cc(C)c(NC(=O)[C@H](C)[NH2+]C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004614382 210232673 /nfs/dbraw/zinc/23/26/73/210232673.db2.gz CBTXPJWPSUNNAZ-RMJOCGACSA-N 1 0 340.511 4.497 50 0 EIAARO CCc1ccc(-c2cc(N3CC[NH+](C)CC3)c3ccccc3n2)cc1 ZINC000004542544 210218134 /nfs/dbraw/zinc/21/81/34/210218134.db2.gz YIYISAORDWGJAQ-UHFFFAOYSA-N 1 0 331.463 4.216 50 0 EIAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1 ZINC000004413443 210189994 /nfs/dbraw/zinc/18/99/94/210189994.db2.gz AJMWBZUYOWVWOF-UHFFFAOYSA-N 1 0 348.446 4.349 50 0 EIAARO O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC([NH+]2CC=CC2)CC1 ZINC000101646283 219150756 /nfs/dbraw/zinc/15/07/56/219150756.db2.gz ANOVETRQWPZQIB-UHFFFAOYSA-N 1 0 347.462 4.222 50 0 EIAARO O=C(C[NH2+]C12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 ZINC000004030566 210104887 /nfs/dbraw/zinc/10/48/87/210104887.db2.gz LRELHWKXXPNAKX-UHFFFAOYSA-N 1 0 348.284 4.190 50 0 EIAARO O[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)COc1ccc2ccccc2c1 ZINC000003401919 210028137 /nfs/dbraw/zinc/02/81/37/210028137.db2.gz IFKJZRBFDUBHHF-NZQKXSOJSA-N 1 0 347.458 4.247 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCCn2ccc3ccccc32)o1 ZINC000042911367 213542399 /nfs/dbraw/zinc/54/23/99/213542399.db2.gz UPDFLFLQLIEJRD-UHFFFAOYSA-N 1 0 334.423 4.113 50 0 EIAARO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(OCc2cccnc2)cc1 ZINC000069370978 215390835 /nfs/dbraw/zinc/39/08/35/215390835.db2.gz YIHLVNBZORXZOK-INIZCTEOSA-N 1 0 334.419 4.217 50 0 EIAARO CC(C)(C)[C@H]([NH2+]Cn1nc2ccccn2c1=S)c1cccs1 ZINC000040155522 213274109 /nfs/dbraw/zinc/27/41/09/213274109.db2.gz KFKKTWCYRPMLKJ-CQSZACIVSA-N 1 0 332.498 4.261 50 0 EIAARO c1cc(-c2noc(C[N@H+]3CCC[C@@H]3CCc3ccccc3)n2)cs1 ZINC000040153650 213274754 /nfs/dbraw/zinc/27/47/54/213274754.db2.gz QKXKKQYVASYSKK-QGZVFWFLSA-N 1 0 339.464 4.395 50 0 EIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc(Cl)ccc1F ZINC000040090887 213262117 /nfs/dbraw/zinc/26/21/17/213262117.db2.gz PCJLVKRIJDJRTQ-UHFFFAOYSA-N 1 0 332.806 4.327 50 0 EIAARO CC(C)C[C@H](CNC(=O)c1occc1-c1ccccc1)[NH+]1CCCC1 ZINC000040092491 213262000 /nfs/dbraw/zinc/26/20/00/213262000.db2.gz UIKQYTVULNMBIU-GOSISDBHSA-N 1 0 340.467 4.187 50 0 EIAARO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c(OC)c1OC ZINC000040088617 213261167 /nfs/dbraw/zinc/26/11/67/213261167.db2.gz FSFGVNBLSLRHKA-HOTGVXAUSA-N 1 0 335.488 4.407 50 0 EIAARO CC[NH+](CC)Cc1cccc(NC(=O)CCOc2cccc(F)c2)c1 ZINC000040086914 213260317 /nfs/dbraw/zinc/26/03/17/213260317.db2.gz QSCGGWMZODBMIP-UHFFFAOYSA-N 1 0 344.430 4.075 50 0 EIAARO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)cc(OC)c1OC ZINC000039979625 213248135 /nfs/dbraw/zinc/24/81/35/213248135.db2.gz IMBLOKVOKWQGAT-CVEARBPZSA-N 1 0 335.488 4.407 50 0 EIAARO CC(C)c1ccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 ZINC000000819307 209691720 /nfs/dbraw/zinc/69/17/20/209691720.db2.gz BBUMEKADZAVSLC-SFHVURJKSA-N 1 0 342.527 4.281 50 0 EIAARO C(\c1ccccc1)=C1/CCCC2=C1[NH+]=C1N=CNN1[C@@H]2c1ccccc1 ZINC000038166276 213203247 /nfs/dbraw/zinc/20/32/47/213203247.db2.gz SAYZCJZXFRGCCR-JOIYNNFJSA-N 1 0 340.430 4.467 50 0 EIAARO CC(C)c1ccc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000036847531 213122742 /nfs/dbraw/zinc/12/27/42/213122742.db2.gz NBZWKSXFOKSUSU-CVEARBPZSA-N 1 0 333.545 4.359 50 0 EIAARO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1ccccc1 ZINC000036347914 213086906 /nfs/dbraw/zinc/08/69/06/213086906.db2.gz IFPRFLOGGSHHMZ-JOCHJYFZSA-N 1 0 332.447 4.492 50 0 EIAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccccc1 ZINC000036097422 213065880 /nfs/dbraw/zinc/06/58/80/213065880.db2.gz VKQUCADQXODOII-JOCHJYFZSA-N 1 0 341.495 4.093 50 0 EIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036094929 213063813 /nfs/dbraw/zinc/06/38/13/213063813.db2.gz DWVVQSWJJLEQMC-JOCHJYFZSA-N 1 0 341.495 4.031 50 0 EIAARO CC(C)c1cncnc1-c1cc(O)cc(CC[C@@H]2CCCC[NH2+]2)c1 ZINC000071638922 215791748 /nfs/dbraw/zinc/79/17/48/215791748.db2.gz QYNJZMBTMCKEEM-KRWDZBQOSA-N 1 0 325.456 4.047 50 0 EIAARO COc1cccc2ccc(C[N@H+](C)Cc3cccc4ncccc34)nc21 ZINC000072128223 216019827 /nfs/dbraw/zinc/01/98/27/216019827.db2.gz IOFMPUJJUWBZAQ-UHFFFAOYSA-N 1 0 343.430 4.424 50 0 EIAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000072144909 216029944 /nfs/dbraw/zinc/02/99/44/216029944.db2.gz CPXTUIGORFCUCV-GOSISDBHSA-N 1 0 338.451 4.035 50 0 EIAARO c1ccc(C2(c3ccccc3)C[C@H]2C[NH+]2CC(c3ccncc3)C2)cc1 ZINC000072142956 216028105 /nfs/dbraw/zinc/02/81/05/216028105.db2.gz VZNZERIOBMILGO-QHCPKHFHSA-N 1 0 340.470 4.487 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1OCc1ccccc1 ZINC000108160550 219835253 /nfs/dbraw/zinc/83/52/53/219835253.db2.gz QJBBUCADNSODJC-LMMKCTJWSA-N 1 0 325.452 4.484 50 0 EIAARO C[NH+]1CCN(CCc2ccccc2Sc2ccc(Cl)cc2)CC1 ZINC000022865441 212330714 /nfs/dbraw/zinc/33/07/14/212330714.db2.gz IOELZZXKDKBAEK-UHFFFAOYSA-N 1 0 346.927 4.281 50 0 EIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000022781617 212323883 /nfs/dbraw/zinc/32/38/83/212323883.db2.gz RJORDFZYVWBMQC-GFCCVEGCSA-N 1 0 335.831 4.217 50 0 EIAARO C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)Cc1ccco1 ZINC000022199009 212281735 /nfs/dbraw/zinc/28/17/35/212281735.db2.gz CRKKQIHHTFMPDN-UHFFFAOYSA-N 1 0 334.419 4.407 50 0 EIAARO Clc1ccc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)o1 ZINC000215230147 241113847 /nfs/dbraw/zinc/11/38/47/241113847.db2.gz SMAXIFHVVGMYKX-UHFFFAOYSA-N 1 0 334.891 4.019 50 0 EIAARO COC[C@H]1CCCC[N@@H+]1Cc1ccc(OCC=C(C)C)c(OC)c1 ZINC000215822286 241146579 /nfs/dbraw/zinc/14/65/79/241146579.db2.gz WEAACGXPQBHJNE-GOSISDBHSA-N 1 0 333.472 4.041 50 0 EIAARO CC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169864 212213764 /nfs/dbraw/zinc/21/37/64/212213764.db2.gz KBWPUNYOKQYGDV-FCHUYYIVSA-N 1 0 339.479 4.172 50 0 EIAARO CSc1cccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC000020774850 212170261 /nfs/dbraw/zinc/17/02/61/212170261.db2.gz OYVPQXHFSKHAOD-SFHVURJKSA-N 1 0 344.499 4.302 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)c(C)c1)[NH2+]CC2 ZINC000020506898 212141417 /nfs/dbraw/zinc/14/14/17/212141417.db2.gz WTVGYFTYGISDAS-OAQYLSRUSA-N 1 0 341.451 4.036 50 0 biogenic EIAARO CCOc1cc2c(cc1OCC)[C@H](c1cc(C)c(O)c(C)c1)[NH2+]CC2 ZINC000020507007 212140945 /nfs/dbraw/zinc/14/09/45/212140945.db2.gz NQOWXNNPHFBNDI-FQEVSTJZSA-N 1 0 341.451 4.042 50 0 EIAARO CC[C@@H](CO)[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000248137779 243533990 /nfs/dbraw/zinc/53/39/90/243533990.db2.gz ASSNFERNVCEFFB-SFHVURJKSA-N 1 0 342.870 4.204 50 0 EIAARO FC(F)(F)c1cnc(C[C@@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000020389248 212124556 /nfs/dbraw/zinc/12/45/56/212124556.db2.gz WOCFRHHBLPZBOD-AWEZNQCLSA-N 1 0 326.749 4.183 50 0 EIAARO Cc1scc(C(=O)NC2CC[NH+](C(C)C)CC2)c1-c1ccccc1 ZINC000020294117 212116511 /nfs/dbraw/zinc/11/65/11/212116511.db2.gz LCTNNRILOQNMSE-UHFFFAOYSA-N 1 0 342.508 4.326 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)Cc2ncccc2C)cc1C ZINC000019774030 212064212 /nfs/dbraw/zinc/06/42/12/212064212.db2.gz CBACZDMNUFOHFW-QGZVFWFLSA-N 1 0 334.467 4.118 50 0 EIAARO c1ccc(C[NH2+]Cc2ccc(OCCOc3ccccc3)cc2)cc1 ZINC000019737833 212059544 /nfs/dbraw/zinc/05/95/44/212059544.db2.gz ICOXFVIYZXWJFH-UHFFFAOYSA-N 1 0 333.431 4.434 50 0 EIAARO Nc1c2c([nH+]c3ccc(Br)cc13)N(c1ccccc1)CC2 ZINC000018276089 211993896 /nfs/dbraw/zinc/99/38/96/211993896.db2.gz DNFFJORSUVCABG-UHFFFAOYSA-N 1 0 340.224 4.274 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCCC2)o1 ZINC000015860163 211862175 /nfs/dbraw/zinc/86/21/75/211862175.db2.gz RUYUWYGAUKAFSA-QGZVFWFLSA-N 1 0 346.858 4.198 50 0 EIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](CCCc2ccccc2)C1 ZINC000012429719 211378274 /nfs/dbraw/zinc/37/82/74/211378274.db2.gz ZMKGJJVJAOEAJN-HSZRJFAPSA-N 1 0 337.507 4.327 50 0 EIAARO Cc1ncc(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)s1 ZINC000012474409 211390589 /nfs/dbraw/zinc/39/05/89/211390589.db2.gz KCPSVMFGWGPOMD-UHFFFAOYSA-N 1 0 343.496 4.082 50 0 EIAARO O=C(NC[C@H]1CCC[N@H+](CCCC2CCCC2)C1)c1ccc(F)cc1 ZINC000012453826 211386515 /nfs/dbraw/zinc/38/65/15/211386515.db2.gz AYJQCQCOPGDUCF-GOSISDBHSA-N 1 0 346.490 4.238 50 0 EIAARO CN(C(=O)CC1=CCCCC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012438369 211381322 /nfs/dbraw/zinc/38/13/22/211381322.db2.gz CTMAHIWRNVSJDN-NRFANRHFSA-N 1 0 340.511 4.042 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)cc1O ZINC000012319703 211344010 /nfs/dbraw/zinc/34/40/10/211344010.db2.gz NOMMNZQFRKCLSG-LJQANCHMSA-N 1 0 340.467 4.094 50 0 EIAARO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000012306440 211342197 /nfs/dbraw/zinc/34/21/97/211342197.db2.gz IMAMXMWDWGJOIV-SFHVURJKSA-N 1 0 336.479 4.474 50 0 EIAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000012298783 211336448 /nfs/dbraw/zinc/33/64/48/211336448.db2.gz LBCGMDFJCDWYMR-QGZVFWFLSA-N 1 0 338.499 4.406 50 0 EIAARO Cc1c2ccccc2[nH]c1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000012302886 211339520 /nfs/dbraw/zinc/33/95/20/211339520.db2.gz OHFOOAUSUJZTHQ-UHFFFAOYSA-N 1 0 348.490 4.294 50 0 EIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1C1CCCCCCC1 ZINC000012134819 211301248 /nfs/dbraw/zinc/30/12/48/211301248.db2.gz NHLIZROZLMZLLZ-LJQANCHMSA-N 1 0 346.490 4.409 50 0 EIAARO Cc1cccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccnc2)c1C ZINC000011817263 211250119 /nfs/dbraw/zinc/25/01/19/211250119.db2.gz NEFQKOSNYTYFDP-IBGZPJMESA-N 1 0 332.451 4.051 50 0 EIAARO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](C3CCSCC3)C2)cc1C ZINC000011753561 211243612 /nfs/dbraw/zinc/24/36/12/211243612.db2.gz GZSABPQTELBHGH-INIZCTEOSA-N 1 0 347.524 4.102 50 0 EIAARO CC(C)[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1ccccc1)c1cccs1 ZINC000011289246 211209723 /nfs/dbraw/zinc/20/97/23/211209723.db2.gz HSSZUDBDTGUJAR-KXBFYZLASA-N 1 0 330.497 4.254 50 0 EIAARO CC1(C)CC(NC(=O)c2ccc(-c3ccc(F)cc3)o2)CC(C)(C)[NH2+]1 ZINC000010816695 211191323 /nfs/dbraw/zinc/19/13/23/211191323.db2.gz LYTICYZDWNEXRZ-UHFFFAOYSA-N 1 0 344.430 4.125 50 0 EIAARO CCc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000009997008 211139520 /nfs/dbraw/zinc/13/95/20/211139520.db2.gz CPCMQYHKKGHAFA-UHFFFAOYSA-N 1 0 336.479 4.142 50 0 EIAARO c1csc(Cn2cccc2CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093563650 218233368 /nfs/dbraw/zinc/23/33/68/218233368.db2.gz GOKAATVCVIMLPS-SFHVURJKSA-N 1 0 343.540 4.048 50 0 EIAARO CCc1nc(C)sc1C[N@@H+]1CCC[C@H](c2nccn2C(C)C)C1 ZINC000095387248 218318798 /nfs/dbraw/zinc/31/87/98/218318798.db2.gz NTEYONVMOZBHPP-HNNXBMFYSA-N 1 0 332.517 4.171 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000095419574 218359415 /nfs/dbraw/zinc/35/94/15/218359415.db2.gz GFRDZYHAKFQRGS-IERDGZPVSA-N 1 0 347.462 4.337 50 0 EIAARO Cc1ccccc1[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000095420274 218361084 /nfs/dbraw/zinc/36/10/84/218361084.db2.gz ICODDEFJFQOLJS-MRXNPFEDSA-N 1 0 340.442 4.090 50 0 EIAARO Cc1csc(N2CCC([NH2+][C@H](c3ncccc3C)C(C)C)CC2)n1 ZINC000095422482 218365013 /nfs/dbraw/zinc/36/50/13/218365013.db2.gz UPGFNWZJPUPBFM-KRWDZBQOSA-N 1 0 344.528 4.111 50 0 EIAARO Cc1ccccc1[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)C(C)C ZINC000095422340 218365436 /nfs/dbraw/zinc/36/54/36/218365436.db2.gz RRYGDLQDYLXRSE-FQEVSTJZSA-N 1 0 340.467 4.180 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000095423198 218365772 /nfs/dbraw/zinc/36/57/72/218365772.db2.gz KDFMCXUBKDVLCS-NYSBEXSLSA-N 1 0 338.451 4.073 50 0 EIAARO CC[NH+](CC)CCSc1nnc(-c2cccc3ccccc32)o1 ZINC000095468560 218407051 /nfs/dbraw/zinc/40/70/51/218407051.db2.gz KQYKWFYJXGSJPG-UHFFFAOYSA-N 1 0 327.453 4.324 50 0 EIAARO CSc1cccc(N(C(=O)c2occc2C)C2CC[NH+](C)CC2)c1 ZINC000112248010 220272833 /nfs/dbraw/zinc/27/28/33/220272833.db2.gz RUHMGZCQCBEJNF-UHFFFAOYSA-N 1 0 344.480 4.051 50 0 EIAARO C[NH+](C)CCC[C@@]1(O)c2ccccc2Sc2ccc(Cl)cc21 ZINC000005019318 210364096 /nfs/dbraw/zinc/36/40/96/210364096.db2.gz YJINNJOMTOJZBH-GOSISDBHSA-N 1 0 333.884 4.382 50 0 EIAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCCc1ccccc1 ZINC000005019567 210363408 /nfs/dbraw/zinc/36/34/08/210363408.db2.gz QWAMWVURMIJKOL-UHFFFAOYSA-N 1 0 337.419 4.200 50 0 EIAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccccc3)nc21 ZINC000004786120 210278211 /nfs/dbraw/zinc/27/82/11/210278211.db2.gz HMPKOXQVGWHRCO-UHFFFAOYSA-N 1 0 332.451 4.298 50 0 EIAARO Cc1nc(CC[NH+]2CCC(c3nc4ccccc4o3)CC2)cs1 ZINC000118961175 221210687 /nfs/dbraw/zinc/21/06/87/221210687.db2.gz CJDKAUUIOBEXLV-UHFFFAOYSA-N 1 0 327.453 4.015 50 0 EIAARO COc1ccc(C[NH2+]Cc2cccc(OC)c2OC)c2ccccc12 ZINC000000172183 258047720 /nfs/dbraw/zinc/04/77/20/258047720.db2.gz PKCIQDZGRVGTGO-UHFFFAOYSA-N 1 0 337.419 4.155 50 0 EIAARO Cc1ccc2nc(C[NH2+][C@H](Cc3ccccn3)c3ccccc3)cn2c1 ZINC000408514180 257983900 /nfs/dbraw/zinc/98/39/00/257983900.db2.gz YSKUEZHUDLIQJW-OAQYLSRUSA-N 1 0 342.446 4.111 50 0 EIAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2cccc(-c3ccco3)c2)C1 ZINC000299796201 258100514 /nfs/dbraw/zinc/10/05/14/258100514.db2.gz OFHALQJTKUNNEI-HNNXBMFYSA-N 1 0 339.439 4.037 50 0 EIAARO CC[N@H+](C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000006939066 258052623 /nfs/dbraw/zinc/05/26/23/258052623.db2.gz UXWBZOSDJIYNIY-KXBFYZLASA-N 1 0 339.907 4.433 50 0 EIAARO O[C@H](C[NH2+]Cc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000075772289 258065376 /nfs/dbraw/zinc/06/53/76/258065376.db2.gz IMXPVDJTXSLWFX-JOCHJYFZSA-N 1 0 333.431 4.089 50 0 EIAARO O=C(Nc1ccccc1C[NH+]1CCCCC1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000299766989 258081595 /nfs/dbraw/zinc/08/15/95/258081595.db2.gz GJBLSPQQPHOZTF-HDICACEKSA-N 1 0 339.483 4.102 50 0 EIAARO Cc1ncccc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299768837 258082609 /nfs/dbraw/zinc/08/26/09/258082609.db2.gz MOVWWWRRORNADE-OTWHNJEPSA-N 1 0 346.434 4.133 50 0 EIAARO CSc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000055543488 132195741 /nfs/dbraw/zinc/19/57/41/132195741.db2.gz GGMZEWRKFYPSJL-UHFFFAOYSA-N 1 0 332.900 4.384 50 0 EIAARO Cc1ccsc1[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000155149870 534481626 /nfs/dbraw/zinc/48/16/26/534481626.db2.gz JOBUPHQSBGMGKJ-CQSZACIVSA-N 1 0 346.471 4.151 50 0 EIAARO CCC[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 ZINC000191197849 529003395 /nfs/dbraw/zinc/00/33/95/529003395.db2.gz ISPHZOSQQGYCCD-QGZVFWFLSA-N 1 0 332.469 4.077 50 0 EIAARO COc1cc(C)c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000055543658 536570056 /nfs/dbraw/zinc/57/00/56/536570056.db2.gz JRNCRDVDOVUAQQ-UHFFFAOYSA-N 1 0 344.886 4.288 50 0 EIAARO CCCc1cc(Br)ccc1OCC[C@H]1CCC[NH2+]C1 ZINC000042770283 563924851 /nfs/dbraw/zinc/92/48/51/563924851.db2.gz VKSPMHBFLYXAMQ-CYBMUJFWSA-N 1 0 326.278 4.170 50 0 EIAARO CCOc1cccc(C[NH2+]Cc2cccnc2)c1OCc1ccccc1 ZINC000000359768 563292953 /nfs/dbraw/zinc/29/29/53/563292953.db2.gz DUZSQFRRHSRGNQ-UHFFFAOYSA-N 1 0 348.446 4.349 50 0 EIAARO C[C@H]1CN(C(=O)Nc2ccccc2)c2ccccc2-[n+]2ccsc21 ZINC000000384208 563300924 /nfs/dbraw/zinc/30/09/24/563300924.db2.gz QUXUFNCBEDLNNP-AWEZNQCLSA-O 1 0 336.440 4.180 50 0 EIAARO Cc1cccc(CNC2=[NH+]CCNC23CCC(c2ccccc2)CC3)c1 ZINC000046153260 563364403 /nfs/dbraw/zinc/36/44/03/563364403.db2.gz KPJPWKREJMHTNG-UHFFFAOYSA-N 1 0 347.506 4.183 50 0 biogenic EIAARO CCCOc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC ZINC000001817341 563413525 /nfs/dbraw/zinc/41/35/25/563413525.db2.gz JHWGOXBHJAQYEN-HXUWFJFHSA-N 1 0 336.435 4.200 50 0 biogenic EIAARO O[C@]12CCCC[C@H]1[C@@H](c1cccc(OCc3ccccc3)c1)[NH2+]CC2 ZINC000005683301 563545590 /nfs/dbraw/zinc/54/55/90/563545590.db2.gz NXWLYGWIEVOKFF-BDTNDASRSA-N 1 0 337.463 4.221 50 0 EIAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000006699926 563579476 /nfs/dbraw/zinc/57/94/76/563579476.db2.gz NXDMFIIYAGWAHD-UHFFFAOYSA-N 1 0 337.467 4.090 50 0 EIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1cccc(F)c1 ZINC000006700441 563579481 /nfs/dbraw/zinc/57/94/81/563579481.db2.gz NCTXNVMASQVKOA-UHFFFAOYSA-N 1 0 327.403 4.456 50 0 EIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)c1 ZINC000012593013 563664695 /nfs/dbraw/zinc/66/46/95/563664695.db2.gz BGKPRPDSCVBWBW-GOSISDBHSA-N 1 0 344.405 4.244 50 0 EIAARO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000014232325 563753198 /nfs/dbraw/zinc/75/31/98/563753198.db2.gz PVCHQBZIZOZVJQ-MRXNPFEDSA-N 1 0 342.458 4.499 50 0 EIAARO CC[NH+](CC)Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 ZINC000032827439 563757203 /nfs/dbraw/zinc/75/72/03/563757203.db2.gz MTGZNORURYLUTF-UHFFFAOYSA-N 1 0 340.442 4.338 50 0 EIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]C3Cc4ccccc4C3)c2C)cc1 ZINC000015077489 563776836 /nfs/dbraw/zinc/77/68/36/563776836.db2.gz HYJHSFVZEIENEC-HNNXBMFYSA-N 1 0 347.462 4.007 50 0 EIAARO Cc1cccc(C)c1NC(=S)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000016239131 563806313 /nfs/dbraw/zinc/80/63/13/563806313.db2.gz LBUXBGBCDSLRTN-INIZCTEOSA-N 1 0 343.496 4.020 50 0 EIAARO C[N@@H+](Cc1cccc2ccccc21)Cc1ccccc1N1CCOCC1 ZINC000016424423 563811007 /nfs/dbraw/zinc/81/10/07/563811007.db2.gz WJOFDMWLVQWAHK-UHFFFAOYSA-N 1 0 346.474 4.308 50 0 EIAARO CSCC[NH2+]C1CCN(c2cccc(-c3ccccc3)c2)CC1 ZINC000023581791 563866853 /nfs/dbraw/zinc/86/68/53/563866853.db2.gz HTCOGQBYNKFARF-UHFFFAOYSA-N 1 0 326.509 4.275 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cc2c(s1)CCCCC2)c1ccsc1 ZINC000025330316 563883691 /nfs/dbraw/zinc/88/36/91/563883691.db2.gz BNNAOHCKXWDBOK-OAHLLOKOSA-N 1 0 348.537 4.111 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1csc2ccccc12)c1cccc(F)c1 ZINC000025382810 563884371 /nfs/dbraw/zinc/88/43/71/563884371.db2.gz IIBKPKGHEYKCMF-KRWDZBQOSA-N 1 0 342.439 4.073 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027581885 563897187 /nfs/dbraw/zinc/89/71/87/563897187.db2.gz TYFCZWBGPKRXSI-FQEVSTJZSA-N 1 0 340.442 4.091 50 0 EIAARO Cc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027741339 563899294 /nfs/dbraw/zinc/89/92/94/563899294.db2.gz OIVZYFFCWUTGQA-GOSISDBHSA-N 1 0 342.508 4.404 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1Cl ZINC000028735211 563903880 /nfs/dbraw/zinc/90/38/80/563903880.db2.gz AUUPYJVQDCQEAC-HNNXBMFYSA-N 1 0 342.870 4.427 50 0 EIAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cccc2ccccc21 ZINC000028842506 563904318 /nfs/dbraw/zinc/90/43/18/563904318.db2.gz ICXNNWKULMDYKC-UHFFFAOYSA-N 1 0 330.431 4.227 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCc2ccccc21 ZINC000029483085 563906856 /nfs/dbraw/zinc/90/68/56/563906856.db2.gz RGNUVCUDMUGFKT-QGZVFWFLSA-N 1 0 348.368 4.263 50 0 EIAARO COc1cc(OC)c(C[NH2+][C@H]2CCCC[C@@H]2C)cc1Br ZINC000000183548 563917035 /nfs/dbraw/zinc/91/70/35/563917035.db2.gz AREXKMGOXFFPOL-FZMZJTMJSA-N 1 0 342.277 4.135 50 0 EIAARO CCOc1ccccc1OCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004845352 563919016 /nfs/dbraw/zinc/91/90/16/563919016.db2.gz JPBNGWPHLUZKBL-UHFFFAOYSA-N 1 0 339.479 4.419 50 0 EIAARO COc1ccc(/C=C/C2=CC[N@H+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000004990292 563919031 /nfs/dbraw/zinc/91/90/31/563919031.db2.gz PFGACNCYPUZIOS-VQKOGROQSA-N 1 0 335.447 4.074 50 0 EIAARO c1ccc(C[N@@H+]2CC[C@H](Nc3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033010786 563925092 /nfs/dbraw/zinc/92/50/92/563925092.db2.gz ORQCPTYXOKEATH-INIZCTEOSA-N 1 0 344.418 4.062 50 0 EIAARO CCOC(=O)CCCCCC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000043210880 563925417 /nfs/dbraw/zinc/92/54/17/563925417.db2.gz KJMIEQBDETXVBG-UHFFFAOYSA-N 1 0 345.483 4.369 50 0 EIAARO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044932983 563928421 /nfs/dbraw/zinc/92/84/21/563928421.db2.gz UNKWLUYKBRHNMK-JOCHJYFZSA-N 1 0 348.490 4.092 50 0 EIAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000048441272 563930501 /nfs/dbraw/zinc/93/05/01/563930501.db2.gz DGHDQSCGOAHSQJ-MRXNPFEDSA-N 1 0 339.483 4.011 50 0 EIAARO CC(C)Cc1nc2cccnc2n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000033048108 563935009 /nfs/dbraw/zinc/93/50/09/563935009.db2.gz NMHZWMBZXUGFKB-UHFFFAOYSA-N 1 0 348.494 4.467 50 0 EIAARO Fc1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)cc1Cl ZINC000057354901 563935575 /nfs/dbraw/zinc/93/55/75/563935575.db2.gz NIDXGZXAMUSPLV-UHFFFAOYSA-N 1 0 346.789 4.303 50 0 EIAARO CC(C)C[C@H](NC(=O)C[N@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000060367765 563935775 /nfs/dbraw/zinc/93/57/75/563935775.db2.gz FSONITRSWBUOPV-INIZCTEOSA-N 1 0 344.421 4.249 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc2cnccc21)CC(C)C ZINC000058067040 563937132 /nfs/dbraw/zinc/93/71/32/563937132.db2.gz RFLLFUJAXXIEQJ-KRWDZBQOSA-N 1 0 342.487 4.113 50 0 EIAARO Cc1ccc2c(C[N@H+](C)Cc3ccc(Cl)cc3)cc(=O)oc2c1 ZINC000058120500 563937556 /nfs/dbraw/zinc/93/75/56/563937556.db2.gz INSHIWBSZBAHHT-UHFFFAOYSA-N 1 0 327.811 4.387 50 0 EIAARO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccs1 ZINC000058377461 563944196 /nfs/dbraw/zinc/94/41/96/563944196.db2.gz YVEXUHRGFGKBHM-SFHVURJKSA-N 1 0 328.481 4.014 50 0 EIAARO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1cccs1 ZINC000058377460 563944205 /nfs/dbraw/zinc/94/42/05/563944205.db2.gz YVEXUHRGFGKBHM-GOSISDBHSA-N 1 0 328.481 4.014 50 0 EIAARO CCC(CC)[NH+]1CCN(C(=O)c2cc3cn(C(C)C)cc3s2)CC1 ZINC000097944847 563956610 /nfs/dbraw/zinc/95/66/10/563956610.db2.gz NYGSEGHEARNMEY-UHFFFAOYSA-N 1 0 347.528 4.230 50 0 EIAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000065363680 563958263 /nfs/dbraw/zinc/95/82/63/563958263.db2.gz ZKWJVYMTUXJFQX-UHFFFAOYSA-N 1 0 344.842 4.065 50 0 EIAARO C[C@@H]1CCCC[N@@H+]1C1CN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000077300147 563968836 /nfs/dbraw/zinc/96/88/36/563968836.db2.gz JPBVFVNBJSJEQJ-CYBMUJFWSA-N 1 0 331.460 4.012 50 0 EIAARO Cc1ccc([C@H](C)CC[N@H+](C)Cc2cc(-c3cccnc3)no2)o1 ZINC000077354714 563969102 /nfs/dbraw/zinc/96/91/02/563969102.db2.gz YFJUIGBUUQFECM-CQSZACIVSA-N 1 0 325.412 4.264 50 0 EIAARO Clc1cccc2ccc(CN3CCC[N@@H+](C4CCCC4)CC3)nc12 ZINC000077428073 563969626 /nfs/dbraw/zinc/96/96/26/563969626.db2.gz VYTRTLAXYHWPKC-UHFFFAOYSA-N 1 0 343.902 4.339 50 0 EIAARO Fc1ccc(-c2n[nH]cc2CN2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000077505133 563970084 /nfs/dbraw/zinc/97/00/84/563970084.db2.gz JHDMXZQXZUMTCJ-UHFFFAOYSA-N 1 0 346.409 4.255 50 0 EIAARO Cc1cc(C)cc(CSc2ncc(C[NH+]3CCCCC3)c(=O)[nH]2)c1 ZINC000043804338 563974273 /nfs/dbraw/zinc/97/42/73/563974273.db2.gz WRKGTZCMMKKQGH-UHFFFAOYSA-N 1 0 343.496 4.077 50 0 EIAARO CCc1ccc([C@@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000060831636 563976213 /nfs/dbraw/zinc/97/62/13/563976213.db2.gz PVDNCRYXAUTKIA-CQSZACIVSA-N 1 0 329.440 4.126 50 0 EIAARO CC(C)[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1[NH+](C)C ZINC000095527331 563977524 /nfs/dbraw/zinc/97/75/24/563977524.db2.gz UGYVOKGJKVYCCG-LEWJYISDSA-N 1 0 336.479 4.012 50 0 EIAARO COc1ccc(C(N)=O)cc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000096163256 563979861 /nfs/dbraw/zinc/97/98/61/563979861.db2.gz RFOHLYDWJLVYOO-HNNXBMFYSA-N 1 0 338.451 4.008 50 0 EIAARO CCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000348386 563991470 /nfs/dbraw/zinc/99/14/70/563991470.db2.gz WUCDVUYSHKJRHY-VXKWHMMOSA-N 1 0 339.479 4.388 50 0 EIAARO Cc1nccn1[C@@H]1CCCN(C(=O)c2cc(Cl)sc2Cl)C1 ZINC000069920507 563995227 /nfs/dbraw/zinc/99/52/27/563995227.db2.gz SEEHORDJRZIDQU-SNVBAGLBSA-N 1 0 344.267 4.037 50 0 EIAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000248142358 563995353 /nfs/dbraw/zinc/99/53/53/563995353.db2.gz QRSBEGZJEAHYSN-KXBFYZLASA-N 1 0 335.451 4.223 50 0 EIAARO C[NH+](C)CCCn1c(-c2ccccc2)cs/c1=N\c1ccccc1 ZINC000005342171 564002843 /nfs/dbraw/zinc/00/28/43/564002843.db2.gz SKSYBHXULRJCPY-MRCUWXFGSA-N 1 0 337.492 4.401 50 0 EIAARO CCN(C(=O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1C ZINC000062580534 564006501 /nfs/dbraw/zinc/00/65/01/564006501.db2.gz FKNHRACMQDPALP-HXUWFJFHSA-N 1 0 336.479 4.055 50 0 EIAARO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)sc1-c1ccccc1 ZINC000526052385 564007228 /nfs/dbraw/zinc/00/72/28/564007228.db2.gz GUNUPZINOXOFMF-MRXNPFEDSA-N 1 0 342.508 4.328 50 0 EIAARO COc1cc(Br)c(C[NH2+][C@H]2CCCC[C@@H]2C)cc1OC ZINC000000183496 564012171 /nfs/dbraw/zinc/01/21/71/564012171.db2.gz UCXXVXIRWXGCGZ-FZMZJTMJSA-N 1 0 342.277 4.135 50 0 EIAARO Brc1ccc2c(c1)[C@H](c1c[nH]c3ccccc31)[NH2+]CC2 ZINC000526055994 564017804 /nfs/dbraw/zinc/01/78/04/564017804.db2.gz KHLGLGAFUULBJR-QGZVFWFLSA-N 1 0 327.225 4.166 50 0 EIAARO COc1ccc(C(=O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000000494915 564017893 /nfs/dbraw/zinc/01/78/93/564017893.db2.gz LWCQYWHRSSTYNS-SFHVURJKSA-N 1 0 341.426 4.287 50 0 EIAARO CC[N@H+](C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000102395948 564019993 /nfs/dbraw/zinc/01/99/93/564019993.db2.gz UXWBZOSDJIYNIY-DNVCBOLYSA-N 1 0 339.907 4.433 50 0 EIAARO CC(C)[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccc1)c1cccs1 ZINC000104725810 564023994 /nfs/dbraw/zinc/02/39/94/564023994.db2.gz HSSZUDBDTGUJAR-DNVCBOLYSA-N 1 0 330.497 4.254 50 0 EIAARO C[C@H]([NH2+]Cc1cc2c(c(Br)c1)OCO2)c1ccccc1 ZINC000015565851 564024240 /nfs/dbraw/zinc/02/42/40/564024240.db2.gz ZBUQQLTXAIUSEC-NSHDSACASA-N 1 0 334.213 4.029 50 0 EIAARO Cc1ccc(N2C(=O)[C@@H](C[NH+]3CCCCC3)[C@@H]2c2ccccc2)cc1 ZINC000005738767 564024766 /nfs/dbraw/zinc/02/47/66/564024766.db2.gz OMOXCNHOHLCAAM-SFTDATJTSA-N 1 0 334.463 4.185 50 0 EIAARO Cc1ccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCCCC2)cc1 ZINC000046078302 564029464 /nfs/dbraw/zinc/02/94/64/564029464.db2.gz KHRSNJIBXRGSOA-UHFFFAOYSA-N 1 0 339.487 4.052 50 0 EIAARO Fc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c(F)c1 ZINC000022876381 564030919 /nfs/dbraw/zinc/03/09/19/564030919.db2.gz VOXCPUZBKUNEOO-WOJBJXKFSA-N 1 0 334.454 4.194 50 0 EIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC[C@@H]2CC)cc1 ZINC000048332874 564031076 /nfs/dbraw/zinc/03/10/76/564031076.db2.gz OUMBSRGZPCIPGD-AZUAARDMSA-N 1 0 344.499 4.013 50 0 EIAARO Cc1nccn1-c1ccc(C[NH2+]Cc2cccc3ccccc32)cn1 ZINC000048782242 564032177 /nfs/dbraw/zinc/03/21/77/564032177.db2.gz VVZMWWJTPNMJIB-UHFFFAOYSA-N 1 0 328.419 4.019 50 0 EIAARO C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000008318233 564035363 /nfs/dbraw/zinc/03/53/63/564035363.db2.gz HCIVKSLZTFPCSE-GFCCVEGCSA-N 1 0 328.428 4.060 50 0 EIAARO CC(=[NH2+])NCCCCCc1nc2ccccc2n1Cc1ccccc1 ZINC000041146313 564050294 /nfs/dbraw/zinc/05/02/94/564050294.db2.gz SJFLRKUOFDAINE-UHFFFAOYSA-N 1 0 334.467 4.384 50 0 EIAARO OCCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247805935 564052790 /nfs/dbraw/zinc/05/27/90/564052790.db2.gz ZGXOXGAWGYYDEA-UHFFFAOYSA-N 1 0 342.870 4.205 50 0 EIAARO CCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248021547 564052955 /nfs/dbraw/zinc/05/29/55/564052955.db2.gz UTOUBEPLTKAAKN-UHFFFAOYSA-N 1 0 340.858 4.146 50 0 EIAARO c1ccc(Cn2nc(C[NH2+]C3CCCC3)c(-c3ccccc3)n2)cc1 ZINC000248108068 564052985 /nfs/dbraw/zinc/05/29/85/564052985.db2.gz MFXSMAMXLNOREH-UHFFFAOYSA-N 1 0 332.451 4.026 50 0 EIAARO Cc1ccccc1Cn1nc(C[NH2+]C(C)(C)C)c(-c2ccccc2)n1 ZINC000248135133 564053049 /nfs/dbraw/zinc/05/30/49/564053049.db2.gz CMZSVZBVLPOSRT-UHFFFAOYSA-N 1 0 334.467 4.190 50 0 EIAARO Cc1ccc(C[n+]2cn(Cc3ccc(F)cc3)c3ccccc32)cc1 ZINC000261490722 564056141 /nfs/dbraw/zinc/05/61/41/564056141.db2.gz XDGSANZPMLUOKY-UHFFFAOYSA-N 1 0 331.414 4.473 50 0 EIAARO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120885040 564060536 /nfs/dbraw/zinc/06/05/36/564060536.db2.gz PBFIIQNKTHMLBE-HIFRSBDPSA-N 1 0 339.439 4.070 50 0 EIAARO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408657 564064744 /nfs/dbraw/zinc/06/47/44/564064744.db2.gz CGJFPXBAYQZJKY-KEZQHZCBSA-N 1 0 348.490 4.295 50 0 EIAARO Cc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](c4ccccc4)C3)c2cc1C ZINC000084128964 564066825 /nfs/dbraw/zinc/06/68/25/564066825.db2.gz AQZOIWPKADJPLD-SFHVURJKSA-N 1 0 333.431 4.399 50 0 EIAARO C[C@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000084636288 564069244 /nfs/dbraw/zinc/06/92/44/564069244.db2.gz RSFJPGCTBXODFE-SECBINFHSA-N 1 0 326.227 4.274 50 0 EIAARO C[C@H](c1cccs1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000084661327 564069484 /nfs/dbraw/zinc/06/94/84/564069484.db2.gz FYPHJVJLNYYTKL-OAHLLOKOSA-N 1 0 328.481 4.177 50 0 EIAARO CCOCCC[NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000032514166 564072364 /nfs/dbraw/zinc/07/23/64/564072364.db2.gz JJMJTYBAIZRVIA-FQEVSTJZSA-N 1 0 336.435 4.108 50 0 EIAARO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000012809649 564072535 /nfs/dbraw/zinc/07/25/35/564072535.db2.gz WRNMDDVBKGRLBU-KPZWWZAWSA-N 1 0 330.378 4.033 50 0 EIAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000012809654 564072545 /nfs/dbraw/zinc/07/25/45/564072545.db2.gz WRNMDDVBKGRLBU-XIKOKIGWSA-N 1 0 330.378 4.033 50 0 EIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012809204 564072617 /nfs/dbraw/zinc/07/26/17/564072617.db2.gz QQFMOLYMULISNT-HXUWFJFHSA-N 1 0 349.430 4.447 50 0 EIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3ccc(C)c(F)c3)CC2)c1 ZINC000015861046 564076977 /nfs/dbraw/zinc/07/69/77/564076977.db2.gz OWAXUASZSKWKPO-UHFFFAOYSA-N 1 0 338.426 4.213 50 0 EIAARO CC(C)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012893855 564077564 /nfs/dbraw/zinc/07/75/64/564077564.db2.gz RCSIQVPOMFOACN-UHFFFAOYSA-N 1 0 336.479 4.222 50 0 EIAARO O=C(CC[N@@H+]1CCC[C@H]1C1CCCCC1)N1CCc2sccc2C1 ZINC000075120734 564080362 /nfs/dbraw/zinc/08/03/62/564080362.db2.gz GURDXPDLWBUTAI-SFHVURJKSA-N 1 0 346.540 4.068 50 0 EIAARO Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000575617229 564083534 /nfs/dbraw/zinc/08/35/34/564083534.db2.gz MURXRTZSKQUFQX-CQSZACIVSA-N 1 0 339.826 4.085 50 0 EIAARO CCN(CCCc1ccccc1)C(=O)c1ccc(-c2nccn2C)cc1 ZINC000426667377 564094341 /nfs/dbraw/zinc/09/43/41/564094341.db2.gz LBYSXEYLSROAPM-UHFFFAOYSA-N 1 0 347.462 4.182 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1C ZINC000169681831 564098217 /nfs/dbraw/zinc/09/82/17/564098217.db2.gz BTGWXGZFTMGJDO-UYAOXDASSA-N 1 0 327.468 4.035 50 0 EIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(Cl)c1 ZINC000006938817 564101896 /nfs/dbraw/zinc/10/18/96/564101896.db2.gz LFSSKZZSSJEZFQ-UHFFFAOYSA-N 1 0 334.891 4.259 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cnnc3c(Cl)cccc23)C1 ZINC000006998370 564102774 /nfs/dbraw/zinc/10/27/74/564102774.db2.gz VQPCIDHXNDGXJI-OKILXGFUSA-N 1 0 332.879 4.063 50 0 EIAARO CCOC(=O)NC1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000065534652 564107192 /nfs/dbraw/zinc/10/71/92/564107192.db2.gz PFQBNIFDXZTVJV-OAHLLOKOSA-N 1 0 326.440 4.111 50 0 EIAARO CC1(C)CCC([NH+]2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC000170591389 564108770 /nfs/dbraw/zinc/10/87/70/564108770.db2.gz VHDGWCBYUDDOHY-UHFFFAOYSA-N 1 0 329.488 4.241 50 0 EIAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CCCCC1 ZINC000007492038 564109085 /nfs/dbraw/zinc/10/90/85/564109085.db2.gz LHLGZCNQCVYROW-UHFFFAOYSA-N 1 0 334.891 4.001 50 0 EIAARO CC(C)(C)c1ccccc1OCCOCC[NH2+]Cc1ccccc1 ZINC000002822998 564116967 /nfs/dbraw/zinc/11/69/67/564116967.db2.gz XUZGDRAGXPDWRV-UHFFFAOYSA-N 1 0 327.468 4.169 50 0 EIAARO Clc1cc(Br)ccc1OCC[NH2+]Cc1ccccc1 ZINC000002823697 564117008 /nfs/dbraw/zinc/11/70/08/564117008.db2.gz IUQGQZIHDSVEHO-UHFFFAOYSA-N 1 0 340.648 4.271 50 0 EIAARO Cc1ccnc(Oc2cc(NC(=O)c3ccc(C[NH3+])cc3)ccc2C)c1 ZINC000170678136 564121416 /nfs/dbraw/zinc/12/14/16/564121416.db2.gz SRHDJLQXGUMUCS-UHFFFAOYSA-N 1 0 347.418 4.202 50 0 EIAARO CCC[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252671905 564124835 /nfs/dbraw/zinc/12/48/35/564124835.db2.gz ONZUQFBMUYPLNC-MISYRCLQSA-N 1 0 342.458 4.399 50 0 EIAARO Cc1c[nH]c(C[NH2+][C@H]2CCCCc3cc(Br)ccc32)n1 ZINC000585093656 564133962 /nfs/dbraw/zinc/13/39/62/564133962.db2.gz XOBNNDTUMMRWMA-HNNXBMFYSA-N 1 0 334.261 4.038 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccsc1 ZINC000013011171 564135888 /nfs/dbraw/zinc/13/58/88/564135888.db2.gz YZZDDKOIMRIFCI-AWEZNQCLSA-N 1 0 343.279 4.088 50 0 EIAARO C[C@H]([NH2+]CCSc1ccccc1F)c1ccc([S@](C)=O)cc1 ZINC000095422368 564140101 /nfs/dbraw/zinc/14/01/01/564140101.db2.gz FPUVJCGXPANCRG-WHEQGISXSA-N 1 0 337.485 4.006 50 0 EIAARO c1cc(-c2ccccc2)sc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000095958382 564142587 /nfs/dbraw/zinc/14/25/87/564142587.db2.gz TYQYZMZYCIIEFA-UHFFFAOYSA-N 1 0 349.503 4.128 50 0 EIAARO CCc1ccsc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000095969173 564143393 /nfs/dbraw/zinc/14/33/93/564143393.db2.gz TVTOAWNJMJTCBP-ZDUSSCGKSA-N 1 0 330.453 4.118 50 0 EIAARO CC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000096281074 564146389 /nfs/dbraw/zinc/14/63/89/564146389.db2.gz MEHZQEKJWNRSIO-UHFFFAOYSA-N 1 0 336.479 4.321 50 0 EIAARO C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccsc1 ZINC000096476617 564148456 /nfs/dbraw/zinc/14/84/56/564148456.db2.gz BKOJOHJNBHRHKI-NSHDSACASA-N 1 0 342.386 4.274 50 0 EIAARO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000225549385 564149689 /nfs/dbraw/zinc/14/96/89/564149689.db2.gz BAXFOZYYYZSFLH-CABCVRRESA-N 1 0 335.473 4.100 50 0 EIAARO Cc1sc2nc(CN3CCC[C@@H]3c3cccs3)nc(N)c2c1C ZINC000057270832 564153448 /nfs/dbraw/zinc/15/34/48/564153448.db2.gz DYYPZLULDLJBDB-GFCCVEGCSA-N 1 0 344.509 4.289 50 0 EIAARO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)cn2)C(C)C)cc1 ZINC000057322791 564153606 /nfs/dbraw/zinc/15/36/06/564153606.db2.gz UIENZIZHUFELDI-LJQANCHMSA-N 1 0 345.874 4.223 50 0 EIAARO C[C@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000057406363 564153943 /nfs/dbraw/zinc/15/39/43/564153943.db2.gz UXSUILQKSDOEIC-KRWDZBQOSA-N 1 0 330.431 4.393 50 0 EIAARO C[NH+](C)C[C@@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccccc1 ZINC000029954236 564154940 /nfs/dbraw/zinc/15/49/40/564154940.db2.gz GLSARPJENNLTOL-SFZDQAMXSA-N 1 0 344.458 4.272 50 0 EIAARO C[C@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211385 564155994 /nfs/dbraw/zinc/15/59/94/564155994.db2.gz ZFIGNLOEBSAXKI-GUYCJALGSA-N 1 0 348.899 4.357 50 0 EIAARO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nc(C)sc1C ZINC000353552964 564156955 /nfs/dbraw/zinc/15/69/55/564156955.db2.gz ABOGEGXZIVDQQA-YQVWRLOYSA-N 1 0 330.497 4.201 50 0 EIAARO Cc1ccc([C@@H](C(=O)NC2CCCCC2)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000058012675 564157179 /nfs/dbraw/zinc/15/71/79/564157179.db2.gz QRHFGHHFRSTMOW-PXNSSMCTSA-N 1 0 328.500 4.217 50 0 EIAARO O=C(Nc1ccc(Cl)cc1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000031090830 564158754 /nfs/dbraw/zinc/15/87/54/564158754.db2.gz UXJPHKKSJNUHST-UHFFFAOYSA-N 1 0 349.887 4.141 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000031992894 564160380 /nfs/dbraw/zinc/16/03/80/564160380.db2.gz ZQXNQTAQCNUSFZ-INIZCTEOSA-N 1 0 342.464 4.307 50 0 EIAARO Cc1c2ccccc2oc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012158 564162124 /nfs/dbraw/zinc/16/21/24/564162124.db2.gz SLLZSPSLLODUMM-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO c1coc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000008428733 564165232 /nfs/dbraw/zinc/16/52/32/564165232.db2.gz IGQZMJNLZKEEPF-UHFFFAOYSA-N 1 0 343.430 4.481 50 0 EIAARO O=C(c1ccccc1Cl)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000008613206 564166071 /nfs/dbraw/zinc/16/60/71/564166071.db2.gz FVZPRTQCCSJOBT-MRXNPFEDSA-N 1 0 334.891 4.211 50 0 EIAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(OC)ccc(OC)c2c1=O ZINC000008717351 564166703 /nfs/dbraw/zinc/16/67/03/564166703.db2.gz SQRGGYCQLWZVPR-CQSZACIVSA-N 1 0 344.455 4.031 50 0 EIAARO CC[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717520 564166812 /nfs/dbraw/zinc/16/68/12/564166812.db2.gz UVXOXEXXADIFKD-OAHLLOKOSA-N 1 0 327.472 4.079 50 0 EIAARO COc1cccc([C@@H](O)C[N@H+](C)Cc2csc3ccccc23)c1 ZINC000172287517 564167495 /nfs/dbraw/zinc/16/74/95/564167495.db2.gz YJXISMYWLCICPN-SFHVURJKSA-N 1 0 327.449 4.075 50 0 EIAARO CC1(C)CC(NCc2csc(-c3ccsc3)n2)CC(C)(C)[NH2+]1 ZINC000070928272 564174509 /nfs/dbraw/zinc/17/45/09/564174509.db2.gz CBHNLMXMZCDUFU-UHFFFAOYSA-N 1 0 335.542 4.270 50 0 EIAARO CC(C)[N@@H+]1CC[C@@H](Nc2nc(-c3ccsc3)nc3ccccc32)C1 ZINC000071832806 564175758 /nfs/dbraw/zinc/17/57/58/564175758.db2.gz ZQZNLSYYJHAHRU-OAHLLOKOSA-N 1 0 338.480 4.253 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000106075168 568417696 /nfs/dbraw/zinc/41/76/96/568417696.db2.gz GDZVJUURFDGLOS-JQHSSLGASA-N 1 0 332.513 4.066 50 0 EIAARO Brc1cccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000022018219 1020870204 /nfs/dbraw/zinc/87/02/04/1020870204.db2.gz JLLIXGNATVZMLM-MRXNPFEDSA-N 1 0 327.225 4.166 50 0 EIAARO O=C(C1CC[NH+](Cc2cccc3ccccc32)CC1)N1CCCCC1 ZINC000005904990 1024885684 /nfs/dbraw/zinc/88/56/84/1024885684.db2.gz QHNSHMBDOMVAKU-UHFFFAOYSA-N 1 0 336.479 4.064 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc3ccccc3o2)cc1 ZINC000007828640 1025478918 /nfs/dbraw/zinc/47/89/18/1025478918.db2.gz DNHXTUWGAQEYTF-UHFFFAOYSA-N 1 0 336.435 4.205 50 0 EIAARO Cc1ccc(C[N@@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)s1 ZINC000257195573 1036638721 /nfs/dbraw/zinc/63/87/21/1036638721.db2.gz WJKQPSFSRQCJFL-LJQANCHMSA-N 1 0 342.508 4.290 50 0 EIAARO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000170639798 1043122049 /nfs/dbraw/zinc/12/20/49/1043122049.db2.gz UOMBQCQJCNOGIY-HXUWFJFHSA-N 1 0 347.462 4.039 50 0 EIAARO COc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nccs4)C3)sc2c1 ZINC000186910163 1043170199 /nfs/dbraw/zinc/17/01/99/1043170199.db2.gz DGBASDKAAHXSII-GFCCVEGCSA-N 1 0 345.493 4.141 50 0 EIAARO C[C@@H](CCc1ccccc1)[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000821831565 1044004117 /nfs/dbraw/zinc/00/41/17/1044004117.db2.gz RYZNXHBELIGDNP-KRWDZBQOSA-N 1 0 328.525 4.323 50 0 EIAARO c1ccc(-c2ncc3c(n2)CCC[C@H]3[NH2+]C2CCSCC2)cc1 ZINC000012058241 1044037103 /nfs/dbraw/zinc/03/71/03/1044037103.db2.gz WCWFWIROLSYYDJ-QGZVFWFLSA-N 1 0 325.481 4.006 50 0 EIAARO Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000191976271 1049231971 /nfs/dbraw/zinc/23/19/71/1049231971.db2.gz YPQWCFOETDOJOO-UHFFFAOYSA-N 1 0 339.483 4.104 50 0 EIAARO Fc1ccc([C@@H]2CN(Cc3cccc(-c4cccnc4)c3)CCO2)cc1 ZINC000179427242 1049566551 /nfs/dbraw/zinc/56/65/51/1049566551.db2.gz IJTXODCUFRTECU-QFIPXVFZSA-N 1 0 348.421 4.461 50 0 EIAARO C[C@@H](c1cccnc1)[N@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000952869198 1049679780 /nfs/dbraw/zinc/67/97/80/1049679780.db2.gz GCIXMUYTPHSOPJ-HNNXBMFYSA-N 1 0 329.875 4.397 50 0 EIAARO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@H]3c3cccn3C)c2cc1C ZINC000007854787 1049838503 /nfs/dbraw/zinc/83/85/03/1049838503.db2.gz GXMWFBRZWCFBGK-IBGZPJMESA-N 1 0 336.435 4.085 50 0 EIAARO Fc1ccc2nc([C@@H]3CCC[N@H+](Cc4ncccc4Cl)C3)oc2c1 ZINC000528421192 1053817219 /nfs/dbraw/zinc/81/72/19/1053817219.db2.gz PAUQQXVTOOXOKU-GFCCVEGCSA-N 1 0 345.805 4.395 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC000581806716 1060014827 /nfs/dbraw/zinc/01/48/27/1060014827.db2.gz VTYVLHHXBDFOQA-GOSISDBHSA-N 1 0 329.488 4.203 50 0 EIAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000581816393 1060023461 /nfs/dbraw/zinc/02/34/61/1060023461.db2.gz AQYPEJQCRBPUSF-UHFFFAOYSA-N 1 0 339.483 4.005 50 0 EIAARO CSc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000004745056 210267966 /nfs/dbraw/zinc/26/79/66/210267966.db2.gz UJMGAFPUWWQSRS-GOSISDBHSA-N 1 0 346.540 4.023 50 0 EIAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](CC2CCCCC2)CC1 ZINC000004725497 210261906 /nfs/dbraw/zinc/26/19/06/210261906.db2.gz GWICVGCZDDIECY-UHFFFAOYSA-N 1 0 342.527 4.327 50 0 EIAARO c1cc(C2CC[NH+](Cc3ccc([C@@H]4CCCCO4)s3)CC2)n[nH]1 ZINC000097674425 219045844 /nfs/dbraw/zinc/04/58/44/219045844.db2.gz YKHGZAFNRWAOPH-KRWDZBQOSA-N 1 0 331.485 4.092 50 0 EIAARO CC[NH+](CC)C[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004723158 210259159 /nfs/dbraw/zinc/25/91/59/210259159.db2.gz QRIJLHKJNFTDDV-KRWDZBQOSA-N 1 0 325.452 4.092 50 0 EIAARO CCCCC(=O)Nc1ccc(NC(=O)C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000055244519 214294311 /nfs/dbraw/zinc/29/43/11/214294311.db2.gz WFUIYUPDHXMRGR-INIZCTEOSA-N 1 0 345.487 4.018 50 0 EIAARO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1ccc(OC)c(COC)c1 ZINC000055369419 214312694 /nfs/dbraw/zinc/31/26/94/214312694.db2.gz FAARIDCMXSNDCL-INIZCTEOSA-N 1 0 328.456 4.037 50 0 EIAARO c1csc(C[N@H+](Cc2cccc3cccnc32)C[C@H]2CCCO2)c1 ZINC000055527839 214327547 /nfs/dbraw/zinc/32/75/47/214327547.db2.gz GHBSLMGTYVRKPV-GOSISDBHSA-N 1 0 338.476 4.478 50 0 EIAARO CC[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCC1CC[NH+](C)CC1 ZINC000055568974 214331039 /nfs/dbraw/zinc/33/10/39/214331039.db2.gz MQKVADBLZGXTRV-GOSISDBHSA-N 1 0 330.516 4.244 50 0 EIAARO COc1cccc(-c2c[nH+]c(NCc3ccccc3Cl)n2C)c1 ZINC000004678366 210244578 /nfs/dbraw/zinc/24/45/78/210244578.db2.gz KEXCJFCOJYTHOM-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO O=C(NC1CCCCCC1)C1CC[NH+](CCCc2ccccc2)CC1 ZINC000004670386 210242301 /nfs/dbraw/zinc/24/23/01/210242301.db2.gz KODANGJQNRTJCR-UHFFFAOYSA-N 1 0 342.527 4.170 50 0 EIAARO C[C@@H](CNC(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(C)CC1 ZINC000058308551 214540397 /nfs/dbraw/zinc/54/03/97/214540397.db2.gz MHJZCNUPIHRGBR-LBPRGKRZSA-N 1 0 344.286 4.235 50 0 EIAARO CSc1cccc(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000058330751 214548940 /nfs/dbraw/zinc/54/89/40/214548940.db2.gz PWFPMZFUHZYLAM-KBXCAEBGSA-N 1 0 335.517 4.041 50 0 EIAARO CCC[NH+](CCC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000058337590 214551289 /nfs/dbraw/zinc/55/12/89/214551289.db2.gz ZKRZQTUMZJUCKQ-UHFFFAOYSA-N 1 0 341.480 4.274 50 0 EIAARO CCOc1ccc(C(=O)N(CC[NH+](CC)CC)c2ccccc2)cc1 ZINC000004542981 210218239 /nfs/dbraw/zinc/21/82/39/210218239.db2.gz SPOZUEJJHCFGJP-UHFFFAOYSA-N 1 0 340.467 4.074 50 0 EIAARO CCCCN(C)C(=O)C1CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000004373937 210182048 /nfs/dbraw/zinc/18/20/48/210182048.db2.gz UDMNYSSAQCPOKK-FBMGVBCBSA-N 1 0 328.500 4.060 50 0 EIAARO NC(=[NH2+])SCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000004119769 210125258 /nfs/dbraw/zinc/12/52/58/210125258.db2.gz FZXKTIQFHRPASK-UHFFFAOYSA-N 1 0 342.855 4.319 50 0 EIAARO CCOc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)ccc1O ZINC000003684161 210073210 /nfs/dbraw/zinc/07/32/10/210073210.db2.gz DARSOXDQJUTIKL-UHFFFAOYSA-N 1 0 325.452 4.246 50 0 EIAARO COCCC[NH2+]CCCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003460430 210045878 /nfs/dbraw/zinc/04/58/78/210045878.db2.gz PPWQCKQADHNRKZ-UHFFFAOYSA-N 1 0 327.896 4.423 50 0 EIAARO C[NH+]1CCN(c2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1 ZINC000003325924 210008185 /nfs/dbraw/zinc/00/81/85/210008185.db2.gz JBWJPEFUUSRVGL-UHFFFAOYSA-N 1 0 335.476 4.229 50 0 EIAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1cccc(NC(C)=O)c1 ZINC000067559630 215162159 /nfs/dbraw/zinc/16/21/59/215162159.db2.gz GEMXLQGGQLUQOK-UHFFFAOYSA-N 1 0 340.423 4.042 50 0 EIAARO Oc1cccc(-c2nccn2C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000067605572 215166984 /nfs/dbraw/zinc/16/69/84/215166984.db2.gz KYIYTYPYPOTALB-UHFFFAOYSA-N 1 0 333.435 4.093 50 0 EIAARO CNc1nc(NCc2cccnc2Oc2c(C)cccc2C)cc(C)[nH+]1 ZINC000067605875 215168885 /nfs/dbraw/zinc/16/88/85/215168885.db2.gz DQDNNTGZQCQDAU-UHFFFAOYSA-N 1 0 349.438 4.243 50 0 EIAARO CC[C@H](C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774593 213532708 /nfs/dbraw/zinc/53/27/08/213532708.db2.gz LCKSSPAHIALMDM-STQMWFEESA-N 1 0 326.278 4.341 50 0 EIAARO Clc1cc(Br)ccc1OCCC[NH+]1CCCCC1 ZINC000003003903 209952904 /nfs/dbraw/zinc/95/29/04/209952904.db2.gz CNBYXWYKCZWKRM-UHFFFAOYSA-N 1 0 332.669 4.357 50 0 EIAARO CCOc1ccc(C[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C2CC2)cc1 ZINC000067756069 215204898 /nfs/dbraw/zinc/20/48/98/215204898.db2.gz OQJFYGJMBRGZKD-UHFFFAOYSA-N 1 0 337.423 4.233 50 0 EIAARO Oc1cc(-c2ccc(Cl)cn2)cc2c1OCC[N@H+](CC1CCC1)C2 ZINC000067919935 215250024 /nfs/dbraw/zinc/25/00/24/215250024.db2.gz DZIVZZIHNFGWMF-UHFFFAOYSA-N 1 0 344.842 4.102 50 0 EIAARO C[NH+](C)[C@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccco1 ZINC000040160658 213277251 /nfs/dbraw/zinc/27/72/51/213277251.db2.gz NCFZYXJGSGJJGK-LLVKDONJSA-N 1 0 333.741 4.062 50 0 EIAARO O=C(NCCc1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038832964 213227059 /nfs/dbraw/zinc/22/70/59/213227059.db2.gz ZVGFIPPEMOCBAL-UHFFFAOYSA-N 1 0 336.479 4.035 50 0 EIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccccc3OC)n2C)cc1 ZINC000000819171 209690654 /nfs/dbraw/zinc/69/06/54/209690654.db2.gz DVCPJDONVDMTDH-UHFFFAOYSA-N 1 0 337.423 4.107 50 0 EIAARO Cc1c(Cl)cccc1NC(=S)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000036847536 213122997 /nfs/dbraw/zinc/12/29/97/213122997.db2.gz WESHCXQQFSZURC-STQMWFEESA-N 1 0 339.936 4.198 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1C ZINC000036098773 213065977 /nfs/dbraw/zinc/06/59/77/213065977.db2.gz CYEWWCOQGVJLTK-CTNGQTDRSA-N 1 0 341.495 4.344 50 0 EIAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1C ZINC000036097441 213064290 /nfs/dbraw/zinc/06/42/90/213064290.db2.gz IUJFQBZVCMGOOI-OAQYLSRUSA-N 1 0 341.495 4.264 50 0 EIAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cncn2C2CCCC2)c1 ZINC000072151853 216039420 /nfs/dbraw/zinc/03/94/20/216039420.db2.gz PWFQAQQALLDCRZ-HXUWFJFHSA-N 1 0 325.456 4.344 50 0 EIAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000072172750 216063989 /nfs/dbraw/zinc/06/39/89/216063989.db2.gz QVUUMSSGKDDHOF-HXUWFJFHSA-N 1 0 346.478 4.166 50 0 EIAARO c1c(-c2ccccc2)n(CC[NH+]2CCCC2)c2nc3ccccc3n12 ZINC000000067990 209398160 /nfs/dbraw/zinc/39/81/60/209398160.db2.gz FCCVNGXAMLHBOT-UHFFFAOYSA-N 1 0 330.435 4.052 50 0 EIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000027662742 212572460 /nfs/dbraw/zinc/57/24/60/212572460.db2.gz UWDFFFFXPJUQKD-KRWDZBQOSA-N 1 0 346.471 4.234 50 0 EIAARO C=C1c2ccccc2NC(=O)N1C[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000025049773 212456624 /nfs/dbraw/zinc/45/66/24/212456624.db2.gz KALJBNVTWCRNBW-HXUWFJFHSA-N 1 0 335.451 4.370 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C)c(C)s2)cc1 ZINC000024139974 212410487 /nfs/dbraw/zinc/41/04/87/212410487.db2.gz WDGKPEOUBNHKOZ-UHFFFAOYSA-N 1 0 330.497 4.137 50 0 EIAARO Cc1cc2cccc(NC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)c2o1 ZINC000023619668 212386252 /nfs/dbraw/zinc/38/62/52/212386252.db2.gz WQMAXCMPWKXWLY-ZDUSSCGKSA-N 1 0 326.421 4.480 50 0 EIAARO C[N@H+](CCc1ccccc1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000023144835 212355933 /nfs/dbraw/zinc/35/59/33/212355933.db2.gz OGNXFIRJRCPZMH-UHFFFAOYSA-N 1 0 327.815 4.065 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cccc2F)s1)c1ccsc1 ZINC000023133007 212353522 /nfs/dbraw/zinc/35/35/22/212353522.db2.gz LQPFTNCEMBYQTA-AWEZNQCLSA-N 1 0 348.468 4.135 50 0 EIAARO Fc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000023129672 212351971 /nfs/dbraw/zinc/35/19/71/212351971.db2.gz LRUIPOAQDPURNE-AWEZNQCLSA-N 1 0 325.387 4.188 50 0 EIAARO CC(C)[NH+](CCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(C)C ZINC000022623350 212311955 /nfs/dbraw/zinc/31/19/55/212311955.db2.gz GITVXHLWQUEBJS-CQSZACIVSA-N 1 0 342.936 4.056 50 0 EIAARO C[N@@H+]1CCC[C@]2(CCCN(Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329420 241119775 /nfs/dbraw/zinc/11/97/75/241119775.db2.gz ZRHUYBHJKJAQAK-IBGZPJMESA-N 1 0 331.891 4.129 50 0 EIAARO c1csc([C@H]2CCCN2Cc2cnc(C3CCCCC3)nc2)n1 ZINC000215911619 241152413 /nfs/dbraw/zinc/15/24/13/241152413.db2.gz IDGWDROABMZPEE-MRXNPFEDSA-N 1 0 328.485 4.318 50 0 EIAARO CCN(Cc1cc(C[NH+]2CCCCC2)cs1)Cc1ccncc1 ZINC000216236219 241175764 /nfs/dbraw/zinc/17/57/64/241175764.db2.gz CSJKBMLQNGEGEO-UHFFFAOYSA-N 1 0 329.513 4.151 50 0 EIAARO Cc1noc2nc(C)nc(-c3ccc([C@H](C)[NH+]4CCCCC4)cc3)c12 ZINC000215484415 241128532 /nfs/dbraw/zinc/12/85/32/241128532.db2.gz RJVFXNZKQSREDJ-AWEZNQCLSA-N 1 0 336.439 4.449 50 0 EIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000021881781 212258364 /nfs/dbraw/zinc/25/83/64/212258364.db2.gz SLKUJYPDYGAELK-UHFFFAOYSA-N 1 0 334.463 4.383 50 0 EIAARO Cc1ccc(Br)cc1OCCC[NH+]1CCC(C)CC1 ZINC000230533392 242263310 /nfs/dbraw/zinc/26/33/10/242263310.db2.gz ZZCLZWAYAQYBPT-UHFFFAOYSA-N 1 0 326.278 4.258 50 0 EIAARO Cc1sc2[nH]c([C@H](C)[N@@H+]3CCC[C@@H](C(C)C)CC3)nc(=O)c2c1C ZINC000230273499 242256195 /nfs/dbraw/zinc/25/61/95/242256195.db2.gz VIXKSAZKHSYMDJ-DZGCQCFKSA-N 1 0 347.528 4.421 50 0 EIAARO O=C(c1ccc(F)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170779 212214649 /nfs/dbraw/zinc/21/46/49/212214649.db2.gz UYULQYXBYQPHDE-LJQANCHMSA-N 1 0 332.463 4.087 50 0 EIAARO CN(C)CC[NH2+]CC[C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000020503340 212139951 /nfs/dbraw/zinc/13/99/51/212139951.db2.gz HUTUSNFVJUXFFH-LJQANCHMSA-N 1 0 330.903 4.208 50 0 EIAARO OC(C[NH2+]Cc1cccc(Cl)c1)(c1ccccc1)c1ccccc1 ZINC000020219102 212113160 /nfs/dbraw/zinc/11/31/60/212113160.db2.gz XBJSXPYOSRCISF-UHFFFAOYSA-N 1 0 337.850 4.366 50 0 EIAARO CC1=C(C)[C@H]([NH2+]CCC(C)C)N([C@H](C)CCc2ccccc2)C1=O ZINC000020058019 212098484 /nfs/dbraw/zinc/09/84/84/212098484.db2.gz MZTCODXPKOUUBM-OXQOHEQNSA-N 1 0 328.500 4.148 50 0 EIAARO CCc1ccc(C[NH+]2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019788813 212066243 /nfs/dbraw/zinc/06/62/43/212066243.db2.gz FKFSAKPNFITZIS-UHFFFAOYSA-N 1 0 328.887 4.220 50 0 EIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000019637249 212052799 /nfs/dbraw/zinc/05/27/99/212052799.db2.gz BRGAIGSKBSRAFP-CYBMUJFWSA-N 1 0 334.257 4.179 50 0 EIAARO CCCCOc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019634768 212052249 /nfs/dbraw/zinc/05/22/49/212052249.db2.gz HQNQCQQZWCQYMI-UHFFFAOYSA-N 1 0 338.495 4.183 50 0 EIAARO COc1cccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000019360241 212021118 /nfs/dbraw/zinc/02/11/18/212021118.db2.gz QPOFHUPNONBSEE-UHFFFAOYSA-N 1 0 346.474 4.166 50 0 EIAARO Cc1ccc(NC(=O)c2ccc(Br)cc2)c(C[NH+](C)C)c1 ZINC000078704256 217105902 /nfs/dbraw/zinc/10/59/02/217105902.db2.gz RPARZMXMHGWBFL-UHFFFAOYSA-N 1 0 347.256 4.071 50 0 EIAARO Clc1ccc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cc1 ZINC000012430861 211377715 /nfs/dbraw/zinc/37/77/15/211377715.db2.gz XZYAAXKBARVTDG-KRWDZBQOSA-N 1 0 338.842 4.088 50 0 EIAARO C=Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000012387274 211364970 /nfs/dbraw/zinc/36/49/70/211364970.db2.gz QDQBKRZXYMJBGY-QFIPXVFZSA-N 1 0 348.490 4.109 50 0 EIAARO Fc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000012314978 211344872 /nfs/dbraw/zinc/34/48/72/211344872.db2.gz YZSRVJJNEAIAQX-KRWDZBQOSA-N 1 0 343.446 4.202 50 0 EIAARO c1ccc(Cc2noc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)n2)cc1 ZINC000012297442 211335817 /nfs/dbraw/zinc/33/58/17/211335817.db2.gz LXRRFZRRYIHCPT-GOSISDBHSA-N 1 0 325.456 4.063 50 0 EIAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H]([NH2+]Cc2cccnc2)C1 ZINC000012304293 211339881 /nfs/dbraw/zinc/33/98/81/211339881.db2.gz CKJKKVUNTQDBIU-LJQANCHMSA-N 1 0 332.451 4.071 50 0 EIAARO O=C(CC1=CCCCC1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012197247 211316895 /nfs/dbraw/zinc/31/68/95/211316895.db2.gz CIBLOQWCTKWSDL-NRFANRHFSA-N 1 0 340.511 4.090 50 0 EIAARO O=C(CCC1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CCCC1 ZINC000012192389 211316398 /nfs/dbraw/zinc/31/63/98/211316398.db2.gz MZCDTSUZSKRXDD-UHFFFAOYSA-N 1 0 340.920 4.016 50 0 EIAARO O=C1CCC2(CC[NH+](CC3CCCC3)CC2)CN1Cc1ccccc1 ZINC000091526149 218017252 /nfs/dbraw/zinc/01/72/52/218017252.db2.gz RKSFJWCFPXCOLY-UHFFFAOYSA-N 1 0 340.511 4.081 50 0 EIAARO CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 ZINC000011760079 211245104 /nfs/dbraw/zinc/24/51/04/211245104.db2.gz CACIEFVDIKKESN-SFHVURJKSA-N 1 0 338.451 4.033 50 0 EIAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cccc2ncccc21 ZINC000011759703 211244941 /nfs/dbraw/zinc/24/49/41/211244941.db2.gz TXKZWFSQVSSSBT-KRWDZBQOSA-N 1 0 337.448 4.072 50 0 EIAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000010351350 211167746 /nfs/dbraw/zinc/16/77/46/211167746.db2.gz XWHIIZYNRPQHRQ-MGPUTAFESA-N 1 0 338.451 4.072 50 0 EIAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000010340402 211167368 /nfs/dbraw/zinc/16/73/68/211167368.db2.gz OPAPWNLHGCJZSF-NRFANRHFSA-N 1 0 349.478 4.062 50 0 EIAARO C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140294 211149614 /nfs/dbraw/zinc/14/96/14/211149614.db2.gz YGKGKRFPIQPLON-INIZCTEOSA-N 1 0 347.462 4.375 50 0 EIAARO C[C@H](c1nc(-c2ccncc2)no1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009389850 211078818 /nfs/dbraw/zinc/07/88/18/211078818.db2.gz IVABVTRIMIMZMA-MRXNPFEDSA-N 1 0 348.450 4.147 50 0 EIAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(OC)c3ccccc32)c1 ZINC000095420958 218361829 /nfs/dbraw/zinc/36/18/29/218361829.db2.gz MCDUPVXZZYQSPG-HNNXBMFYSA-N 1 0 348.446 4.059 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1cccs1 ZINC000095420530 218361951 /nfs/dbraw/zinc/36/19/51/218361951.db2.gz QLOKXHINIFGVIY-CQSZACIVSA-N 1 0 340.448 4.122 50 0 EIAARO CCSc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000095420970 218361970 /nfs/dbraw/zinc/36/19/70/218361970.db2.gz MKHBVRYRUMBZIG-CQSZACIVSA-N 1 0 328.481 4.009 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1cnccn1 ZINC000095421484 218363202 /nfs/dbraw/zinc/36/32/02/218363202.db2.gz JLLFCIRWROXLRM-INIZCTEOSA-N 1 0 345.446 4.319 50 0 EIAARO COCc1cc([C@@H](C)[NH2+]Cc2cccc3cccnc32)ccc1OC ZINC000095421285 218363620 /nfs/dbraw/zinc/36/36/20/218363620.db2.gz PXLKWUFEKYMVIU-OAHLLOKOSA-N 1 0 336.435 4.241 50 0 EIAARO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000095454741 218398099 /nfs/dbraw/zinc/39/80/99/218398099.db2.gz ZZQGHIGTKZGUPA-HNNXBMFYSA-N 1 0 346.696 4.230 50 0 EIAARO C[C@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000095455579 218398500 /nfs/dbraw/zinc/39/85/00/218398500.db2.gz IPFJMNJQTRCOGR-GOSISDBHSA-N 1 0 336.479 4.457 50 0 EIAARO CS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000095967915 218472153 /nfs/dbraw/zinc/47/21/53/218472153.db2.gz GCKMXBXQHMDWOJ-VQTJNVASSA-N 1 0 349.540 4.146 50 0 EIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000005094061 210387855 /nfs/dbraw/zinc/38/78/55/210387855.db2.gz JFSBBWZBQIMJGO-HXUWFJFHSA-N 1 0 347.462 4.042 50 0 EIAARO CCCCCCC(=O)O[C@H](COCc1ccccc1)C[NH+](CC)CC ZINC000004837383 210293856 /nfs/dbraw/zinc/29/38/56/210293856.db2.gz BNGLKZNQEZTDQU-FQEVSTJZSA-N 1 0 349.515 4.427 50 0 EIAARO Cc1cc(C)cc(-c2ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc2)c1 ZINC000097377105 219019180 /nfs/dbraw/zinc/01/91/80/219019180.db2.gz LAHHCWBAVPALSR-GAJHUEQPSA-N 1 0 329.509 4.169 50 0 EIAARO CCOc1ccc(CN2CCC([NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000004745734 210268557 /nfs/dbraw/zinc/26/85/57/210268557.db2.gz KGURGDPFABWGJD-QZTJIDSGSA-N 1 0 330.516 4.028 50 0 EIAARO CC(C)(C)c1ccc(CC[C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)cc1 ZINC000000171793 258047733 /nfs/dbraw/zinc/04/77/33/258047733.db2.gz VVQPTNXUXFFVHA-WOJBJXKFSA-N 1 0 331.500 4.144 50 0 EIAARO COc1ccccc1-c1ncc(C[N@H+](C)CCC[C@@H]2CCCO2)s1 ZINC000299776623 258087378 /nfs/dbraw/zinc/08/73/78/258087378.db2.gz AWMBEHFKQHHYBC-OAHLLOKOSA-N 1 0 346.496 4.210 50 0 EIAARO c1ccc2c(c1)cccc2-c1nc2cccnc2n1C1CC[NH2+]CC1 ZINC000299791150 258096946 /nfs/dbraw/zinc/09/69/46/258096946.db2.gz CDMHLEHZBHKPHB-UHFFFAOYSA-N 1 0 328.419 4.176 50 0 EIAARO CN(CCC[NH+](C)C)C(=O)Nc1ccc(Oc2ccccc2F)cc1 ZINC000299801275 258104392 /nfs/dbraw/zinc/10/43/92/258104392.db2.gz YLHHDFCVOBACBW-UHFFFAOYSA-N 1 0 345.418 4.033 50 0 EIAARO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000004552780 258051048 /nfs/dbraw/zinc/05/10/48/258051048.db2.gz NJEOFBHUTPUXSK-UHFFFAOYSA-N 1 0 330.516 4.281 50 0 EIAARO C[C@@H](c1ccc2ccccc2c1)[N@H+](Cc1cc(=O)c(O)co1)C1CC1 ZINC000089905121 258066340 /nfs/dbraw/zinc/06/63/40/258066340.db2.gz VDJIHEXQXHDBFV-AWEZNQCLSA-N 1 0 335.403 4.224 50 0 EIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2)s1 ZINC000036101645 524404432 /nfs/dbraw/zinc/40/44/32/524404432.db2.gz NHRLOZDNZUYYRP-GOSISDBHSA-N 1 0 347.524 4.345 50 0 EIAARO CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1(C)C ZINC000230153239 535371945 /nfs/dbraw/zinc/37/19/45/535371945.db2.gz VINKXWSOYAMQEJ-AQNXPRMDSA-N 1 0 346.559 4.195 50 0 EIAARO C[NH+](C)Cc1ccc([C@H]2CCCN2Cc2ccncc2Cl)cc1 ZINC000215648569 536021949 /nfs/dbraw/zinc/02/19/49/536021949.db2.gz MLTCTFXQUXSSEC-LJQANCHMSA-N 1 0 329.875 4.134 50 0 EIAARO CCCc1cc(Br)ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000042770291 563924833 /nfs/dbraw/zinc/92/48/33/563924833.db2.gz SHIFCZZXVWGMKP-OAHLLOKOSA-N 1 0 326.278 4.313 50 0 EIAARO CC(C)(C)c1cc(Br)ccc1OCC1CC[NH2+]CC1 ZINC000042774672 563924923 /nfs/dbraw/zinc/92/49/23/563924923.db2.gz DNXKVPYNBCKEOG-UHFFFAOYSA-N 1 0 326.278 4.125 50 0 EIAARO Cc1ncsc1CC[NH2+][C@@H](C)c1ccccc1Br ZINC000097032977 563966803 /nfs/dbraw/zinc/96/68/03/563966803.db2.gz UPYRDHOPKFVKSS-JTQLQIEISA-N 1 0 325.275 4.107 50 0 EIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000000236069 563264203 /nfs/dbraw/zinc/26/42/03/563264203.db2.gz OVZJXOAJPLUSBA-CQSZACIVSA-N 1 0 343.298 4.074 50 0 EIAARO C[NH2+]CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000259200 563267941 /nfs/dbraw/zinc/26/79/41/563267941.db2.gz LONQMTMXWBIVQT-UHFFFAOYSA-N 1 0 338.354 4.054 50 0 EIAARO CC(C)(C)c1cn2c3ccccc3nc2n1CCC[NH+]1CCCCC1 ZINC000000274334 563270222 /nfs/dbraw/zinc/27/02/22/563270222.db2.gz YFDRYCGEOKFMQM-UHFFFAOYSA-N 1 0 338.499 4.463 50 0 EIAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000000277200 563271098 /nfs/dbraw/zinc/27/10/98/563271098.db2.gz OQXFBZAEGKEXTG-INIZCTEOSA-N 1 0 348.412 4.459 50 0 EIAARO Clc1cccc(N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981340 563517311 /nfs/dbraw/zinc/51/73/11/563517311.db2.gz DHGMGNFVRUHFCL-FQEVSTJZSA-N 1 0 326.871 4.020 50 0 EIAARO CC1(C)CC(NC(=O)c2ccc(-c3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000005415038 563531568 /nfs/dbraw/zinc/53/15/68/563531568.db2.gz JIMSSGLIPSGMGK-UHFFFAOYSA-N 1 0 336.479 4.393 50 0 EIAARO COc1ccc([C@@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(F)cc2)cc1Cl ZINC000006639249 563575899 /nfs/dbraw/zinc/57/58/99/563575899.db2.gz GTKAIZJKINJBJB-JKSUJKDBSA-N 1 0 347.817 4.016 50 0 EIAARO Fc1ccccc1-c1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)o1 ZINC000007524316 563604292 /nfs/dbraw/zinc/60/42/92/563604292.db2.gz PRCMCOLQOPHLPY-UHFFFAOYSA-N 1 0 325.339 4.104 50 0 EIAARO COCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008469037 563630864 /nfs/dbraw/zinc/63/08/64/563630864.db2.gz WTKQRNCGFXBCLQ-UHFFFAOYSA-N 1 0 339.410 4.294 50 0 EIAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)c1 ZINC000012593018 563664663 /nfs/dbraw/zinc/66/46/63/563664663.db2.gz BGKPRPDSCVBWBW-SFHVURJKSA-N 1 0 344.405 4.244 50 0 EIAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)Nc1ccccc1 ZINC000012925054 563677498 /nfs/dbraw/zinc/67/74/98/563677498.db2.gz KYEIIYQQRLBFDZ-SFHVURJKSA-N 1 0 343.858 4.299 50 0 EIAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F ZINC000032851137 563762731 /nfs/dbraw/zinc/76/27/31/563762731.db2.gz HFLSHCPPMBBRGF-ZBEGNZNMSA-N 1 0 332.806 4.083 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000014955879 563768174 /nfs/dbraw/zinc/76/81/74/563768174.db2.gz MKVMXKRCNXAQIR-QGZVFWFLSA-N 1 0 343.854 4.444 50 0 EIAARO OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000014960934 563768668 /nfs/dbraw/zinc/76/86/68/563768668.db2.gz YLQPFTRIDWEZPM-FQEVSTJZSA-N 1 0 347.861 4.296 50 0 EIAARO O=C(Nc1cccc(F)c1)[C@@H]1CC12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014995416 563771010 /nfs/dbraw/zinc/77/10/10/563771010.db2.gz OSHGBSDQLVGQEE-LPHOPBHVSA-N 1 0 342.458 4.223 50 0 EIAARO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccnc2)cc1C ZINC000015063694 563774632 /nfs/dbraw/zinc/77/46/32/563774632.db2.gz FVOCSFKAOJMJHE-HXUWFJFHSA-N 1 0 332.451 4.051 50 0 EIAARO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCCSCC1 ZINC000032935691 563845025 /nfs/dbraw/zinc/84/50/25/563845025.db2.gz UZNRHTDNDSIBGP-MRXNPFEDSA-N 1 0 340.492 4.120 50 0 EIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000024105938 563869288 /nfs/dbraw/zinc/86/92/88/563869288.db2.gz JBDQMLOBLKXCKT-FQEVSTJZSA-N 1 0 335.451 4.456 50 0 EIAARO Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000024614088 563873439 /nfs/dbraw/zinc/87/34/39/563873439.db2.gz UITGTOUYPZKWAV-UHFFFAOYSA-N 1 0 340.442 4.293 50 0 EIAARO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000025156816 563881514 /nfs/dbraw/zinc/88/15/14/563881514.db2.gz LYHLATABDYOCRS-UXHICEINSA-N 1 0 340.511 4.137 50 0 EIAARO COc1ccc2cc(C[N@H+](C)C[C@@H](O)c3ccc(F)cc3)ccc2c1 ZINC000025233942 563882192 /nfs/dbraw/zinc/88/21/92/563882192.db2.gz ZTYGYUPNRBOFLG-OAQYLSRUSA-N 1 0 339.410 4.153 50 0 EIAARO Fc1cccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222475 563894885 /nfs/dbraw/zinc/89/48/85/563894885.db2.gz XEORSQHNGCVMDU-FQEVSTJZSA-N 1 0 335.426 4.238 50 0 EIAARO Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027583882 563897451 /nfs/dbraw/zinc/89/74/51/563897451.db2.gz FLFCJWNVDLHLTR-LJQANCHMSA-N 1 0 342.870 4.215 50 0 EIAARO O=C(Cc1ccccc1)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027741442 563899306 /nfs/dbraw/zinc/89/93/06/563899306.db2.gz GNPFJUQLKIGQJV-GOSISDBHSA-N 1 0 342.508 4.024 50 0 EIAARO Cc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)c1 ZINC000028289401 563902047 /nfs/dbraw/zinc/90/20/47/563902047.db2.gz CKGVAGLSZXKXKZ-FQEVSTJZSA-N 1 0 338.495 4.325 50 0 EIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1ccccc1Cl ZINC000028291979 563902152 /nfs/dbraw/zinc/90/21/52/563902152.db2.gz QXJFHYRHOQQAFI-IBGZPJMESA-N 1 0 342.870 4.297 50 0 EIAARO Cc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000028291502 563902165 /nfs/dbraw/zinc/90/21/65/563902165.db2.gz YXNWDXDZDZMYCQ-GOSISDBHSA-N 1 0 342.508 4.260 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H](C)c2ccccc2)c2ccc(C)cc12 ZINC000028297100 563902483 /nfs/dbraw/zinc/90/24/83/563902483.db2.gz SILYRVYUBDNFOK-YLJYHZDGSA-N 1 0 336.479 4.278 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)[C@H]1CCc2ccccc21 ZINC000029483087 563906700 /nfs/dbraw/zinc/90/67/00/563906700.db2.gz RGNUVCUDMUGFKT-KRWDZBQOSA-N 1 0 348.368 4.263 50 0 EIAARO O=c1sn(C[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c2ccccc12 ZINC000058171434 563938877 /nfs/dbraw/zinc/93/88/77/563938877.db2.gz QSLVIODCHUAPKJ-GOSISDBHSA-N 1 0 336.460 4.172 50 0 EIAARO C[NH+](C)C1(CNC(=O)Nc2cccc3cccnc32)CCCCCC1 ZINC000058427906 563946160 /nfs/dbraw/zinc/94/61/60/563946160.db2.gz UMBDTAKKBMLGOR-UHFFFAOYSA-N 1 0 340.471 4.011 50 0 EIAARO COc1ccccc1[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000096469703 563954486 /nfs/dbraw/zinc/95/44/86/563954486.db2.gz ACFBIROFTOCISF-QGZVFWFLSA-N 1 0 349.434 4.043 50 0 EIAARO Cc1csc([C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 ZINC000096478502 563955124 /nfs/dbraw/zinc/95/51/24/563955124.db2.gz ZEFBQNGFORPTFK-SCLBCKFNSA-N 1 0 344.480 4.415 50 0 EIAARO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)cn1 ZINC000096478411 563955127 /nfs/dbraw/zinc/95/51/27/563955127.db2.gz FMSNPGKCZILYJI-FCEWJHQRSA-N 1 0 346.544 4.259 50 0 EIAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@@H]1c1nc(-c2ccncc2)no1 ZINC000065398390 563959800 /nfs/dbraw/zinc/95/98/00/563959800.db2.gz WWKWHUZDWBTERO-JRJUITNWSA-N 1 0 346.434 4.372 50 0 EIAARO CC[N@H+](Cc1cc(=O)oc2c(C)cc(C)cc12)[C@@H]1CCOC(C)(C)C1 ZINC000065491115 563961480 /nfs/dbraw/zinc/96/14/80/563961480.db2.gz ZNKKDBASZSZPSJ-QGZVFWFLSA-N 1 0 343.467 4.189 50 0 EIAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071769305 563965583 /nfs/dbraw/zinc/96/55/83/563965583.db2.gz NQZFKXMHNXEUGI-INIZCTEOSA-N 1 0 333.353 4.410 50 0 EIAARO C[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000097165432 563968485 /nfs/dbraw/zinc/96/84/85/563968485.db2.gz SHJOXLLHZVOLMF-UZLBHIALSA-N 1 0 342.508 4.023 50 0 EIAARO CCCc1ccc2oc(C(=O)N(CC)C[C@H]3CC[N@H+](C)C3)c(C)c2c1 ZINC000077321685 563968994 /nfs/dbraw/zinc/96/89/94/563968994.db2.gz ALBLVCSOHQYMGW-KRWDZBQOSA-N 1 0 342.483 4.108 50 0 EIAARO CCn1ccc2c1cccc2C[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000077386821 563969343 /nfs/dbraw/zinc/96/93/43/563969343.db2.gz WTSPYHRTYVTQKT-UHFFFAOYSA-N 1 0 346.434 4.343 50 0 EIAARO Clc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3CC3CC3)C2)c1 ZINC000082096523 563972113 /nfs/dbraw/zinc/97/21/13/563972113.db2.gz GUHLGSKPTXEWRA-QGZVFWFLSA-N 1 0 329.875 4.326 50 0 EIAARO CCc1ccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000033312146 563973575 /nfs/dbraw/zinc/97/35/75/563973575.db2.gz RNXQSACJTXYHQJ-QGZVFWFLSA-N 1 0 343.515 4.225 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)cc1C ZINC000033312150 563973592 /nfs/dbraw/zinc/97/35/92/563973592.db2.gz RRLMVZLILVEPSO-MRXNPFEDSA-N 1 0 343.515 4.279 50 0 EIAARO CCc1cc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000016247305 563976219 /nfs/dbraw/zinc/97/62/19/563976219.db2.gz KVLYPGAFXFBFOL-GASCZTMLSA-N 1 0 325.880 4.171 50 0 EIAARO c1ccc(NCCC[NH2+]Cc2ccccc2OCc2ccncc2)cc1 ZINC000072289947 563976367 /nfs/dbraw/zinc/97/63/67/563976367.db2.gz BXHQFADUUDVUGN-UHFFFAOYSA-N 1 0 347.462 4.252 50 0 EIAARO C[C@H](c1cccc(-c2ccc(C(=O)N(C)C)s2)c1)[NH+]1CCCC1 ZINC000096147994 563979571 /nfs/dbraw/zinc/97/95/71/563979571.db2.gz UPQKAQZLZJGEHF-CQSZACIVSA-N 1 0 328.481 4.274 50 0 EIAARO Cc1ccc(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)cc1Cl ZINC000000261033 563989707 /nfs/dbraw/zinc/98/97/07/563989707.db2.gz BMRSAWVQQHDRLX-UHFFFAOYSA-N 1 0 339.936 4.150 50 0 EIAARO Cc1cccc(NC(=S)N2CCC([N@@H+](C)CCC(C)C)CC2)c1 ZINC000000261691 563989733 /nfs/dbraw/zinc/98/97/33/563989733.db2.gz KWQKHFXDSVWRNG-UHFFFAOYSA-N 1 0 333.545 4.134 50 0 EIAARO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149335 563995327 /nfs/dbraw/zinc/99/53/27/563995327.db2.gz QNWGPYRIGBWJJF-SUNYJGFJSA-N 1 0 333.476 4.016 50 0 EIAARO CCCC(=O)Nc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2C)cc1 ZINC000252537322 563997910 /nfs/dbraw/zinc/99/79/10/563997910.db2.gz KYIOBDQAFYWDKU-OAHLLOKOSA-N 1 0 342.487 4.362 50 0 EIAARO C[NH+]1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000033883228 563999883 /nfs/dbraw/zinc/99/98/83/563999883.db2.gz UVQVBDRHJUMBET-UHFFFAOYSA-N 1 0 335.278 4.330 50 0 in-vitro EIAARO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccccc1)C[C@H]1CCCO1 ZINC000062640082 564007052 /nfs/dbraw/zinc/00/70/52/564007052.db2.gz WVZMKRXQRZVQIS-OAQYLSRUSA-N 1 0 347.462 4.150 50 0 EIAARO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1OC ZINC000000240265 564012107 /nfs/dbraw/zinc/01/21/07/564012107.db2.gz HLIKMPYBPSBSSF-UHFFFAOYSA-N 1 0 325.452 4.159 50 0 EIAARO COc1cccc2[nH]cc(CC[NH2+][C@H](CC(C)C)c3ccccn3)c21 ZINC000181332544 564013951 /nfs/dbraw/zinc/01/39/51/564013951.db2.gz WZTYRRQOMAPCGT-LJQANCHMSA-N 1 0 337.467 4.491 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000107328731 564026862 /nfs/dbraw/zinc/02/68/62/564026862.db2.gz TXWWDYBOLGTKRI-LEWJYISDSA-N 1 0 334.463 4.017 50 0 EIAARO Cc1nc([C@@H](C)[N@@H+]2CC[C@@]3(CCOC3)C2)oc1-c1ccc(Cl)cc1 ZINC000107524046 564026977 /nfs/dbraw/zinc/02/69/77/564026977.db2.gz GZBBSPDLFBKPEA-AUUYWEPGSA-N 1 0 346.858 4.477 50 0 EIAARO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000044857413 564027219 /nfs/dbraw/zinc/02/72/19/564027219.db2.gz LPRLPJGMYKIRJW-ZBFHGGJFSA-N 1 0 348.512 4.213 50 0 EIAARO Cc1cc(C)c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2)c(C)n1 ZINC000128506398 564032017 /nfs/dbraw/zinc/03/20/17/564032017.db2.gz VAVNGGJAWZYPBK-UHFFFAOYSA-N 1 0 340.814 4.098 50 0 EIAARO O=C(CN1CCCCCC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006861657 564033726 /nfs/dbraw/zinc/03/37/26/564033726.db2.gz GQAAYTZOZTXJKB-UHFFFAOYSA-N 1 0 335.662 4.461 50 0 EIAARO CCOc1ccc(CNc2[nH+]cc(-c3cccc(OC)c3)n2C)cc1 ZINC000000819153 564035237 /nfs/dbraw/zinc/03/52/37/564035237.db2.gz CIJFGKLTKVWUBM-UHFFFAOYSA-N 1 0 337.423 4.107 50 0 EIAARO C[NH+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CCCCC3)c1 ZINC000033084732 564036440 /nfs/dbraw/zinc/03/64/40/564036440.db2.gz JPUNRTLPXUOFSO-UHFFFAOYSA-N 1 0 342.508 4.009 50 0 EIAARO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)c2ccncc2F)cc1 ZINC000240757073 564051811 /nfs/dbraw/zinc/05/18/11/564051811.db2.gz HWCXYQUEZXKCGI-SYNHAJSKSA-N 1 0 328.431 4.348 50 0 EIAARO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000241231278 564051922 /nfs/dbraw/zinc/05/19/22/564051922.db2.gz KTPIETSVWZMBFI-NSHDSACASA-N 1 0 346.887 4.356 50 0 EIAARO CCCC[NH2+]Cc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000247878814 564052774 /nfs/dbraw/zinc/05/27/74/564052774.db2.gz BOWJAKNBASIMLH-UHFFFAOYSA-N 1 0 334.467 4.192 50 0 EIAARO Cc1cccc(Cn2cc(C[NH2+]CCCCCO)c3ccccc32)c1 ZINC000247889146 564052809 /nfs/dbraw/zinc/05/28/09/564052809.db2.gz FDTOXYZAJZFRTL-UHFFFAOYSA-N 1 0 336.479 4.250 50 0 EIAARO CC[C@H](C)[NH2+]Cc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000247881475 564052818 /nfs/dbraw/zinc/05/28/18/564052818.db2.gz CAVOZVMRJDUSEV-KRWDZBQOSA-N 1 0 334.467 4.190 50 0 EIAARO Cc1ccccc1Cn1nc(C[NH2+]CCC(C)C)c(-c2ccccc2)n1 ZINC000248132778 564053026 /nfs/dbraw/zinc/05/30/26/564053026.db2.gz BJTOAUSIGSEBCI-UHFFFAOYSA-N 1 0 348.494 4.438 50 0 EIAARO Cc1ccccc1Cn1cc(C[NH2+]C[C@H]2CCCO2)c2ccccc21 ZINC000248148032 564053037 /nfs/dbraw/zinc/05/30/37/564053037.db2.gz IJKINUSTBSCNSP-HXUWFJFHSA-N 1 0 334.463 4.267 50 0 EIAARO C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000005912036 564056979 /nfs/dbraw/zinc/05/69/79/564056979.db2.gz FVGFBPCNUYQRDN-AVRDEDQJSA-N 1 0 347.458 4.444 50 0 EIAARO C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003215694 564058494 /nfs/dbraw/zinc/05/84/94/564058494.db2.gz WMBXQZYSDAJXAQ-DYVFJYSZSA-N 1 0 348.899 4.357 50 0 EIAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000012769340 564068574 /nfs/dbraw/zinc/06/85/74/564068574.db2.gz PBDXKBADJGKUQN-MRXNPFEDSA-N 1 0 340.442 4.303 50 0 EIAARO c1ccc(C[NH2+][C@H]2CCCN(CCCc3nc4ccccc4o3)C2)cc1 ZINC000084539312 564068594 /nfs/dbraw/zinc/06/85/94/564068594.db2.gz CORMOUVZLRXHEH-IBGZPJMESA-N 1 0 349.478 4.015 50 0 EIAARO C[C@@H](NCc1csc(-c2cnn(C)c2)n1)c1ccccc1Cl ZINC000084660591 564069470 /nfs/dbraw/zinc/06/94/70/564069470.db2.gz XSOIWFHTRKGSSH-LLVKDONJSA-N 1 0 332.860 4.048 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000084736164 564069922 /nfs/dbraw/zinc/06/99/22/564069922.db2.gz MWHDVVCKIVHBEU-PMUMKWKESA-N 1 0 334.891 4.028 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000001460345 564073088 /nfs/dbraw/zinc/07/30/88/564073088.db2.gz GNZAGVVNUOIQBZ-WOJBJXKFSA-N 1 0 342.527 4.077 50 0 EIAARO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001473415 564073694 /nfs/dbraw/zinc/07/36/94/564073694.db2.gz KFETYTDHVXYSQF-DOMZBBRYSA-N 1 0 340.250 4.084 50 0 EIAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000338776701 564079291 /nfs/dbraw/zinc/07/92/91/564079291.db2.gz LVCKZHPICOQUDR-INIZCTEOSA-N 1 0 334.261 4.038 50 0 EIAARO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000239539193 564088167 /nfs/dbraw/zinc/08/81/67/564088167.db2.gz AVTOQKCDIIRURG-UXHICEINSA-N 1 0 343.442 4.019 50 0 EIAARO CCCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001817885 564088710 /nfs/dbraw/zinc/08/87/10/564088710.db2.gz PRFDGICCQOULOE-FCHUYYIVSA-N 1 0 339.479 4.388 50 0 EIAARO C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)c1ccc(-c3c[nH+]ccc3N)cc1)C2 ZINC000426443071 564093766 /nfs/dbraw/zinc/09/37/66/564093766.db2.gz VTLYNIYWOWXMEX-VGOFRKELSA-N 1 0 349.478 4.202 50 0 EIAARO O[C@H](COc1ccc(C[NH2+]CCc2ccccc2)cc1)c1ccccc1 ZINC000006650918 564095427 /nfs/dbraw/zinc/09/54/27/564095427.db2.gz ZCMAHSNEMVOQPI-HSZRJFAPSA-N 1 0 347.458 4.131 50 0 EIAARO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)COCc2ccccc2)c1 ZINC000036100378 564096054 /nfs/dbraw/zinc/09/60/54/564096054.db2.gz ZGDWIOIAVVBZFJ-QFIPXVFZSA-N 1 0 341.495 4.031 50 0 EIAARO Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2C)c1 ZINC000036100403 564096071 /nfs/dbraw/zinc/09/60/71/564096071.db2.gz PIRJCTGMRISONP-NRFANRHFSA-N 1 0 341.495 4.201 50 0 EIAARO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)s1 ZINC000036101080 564096132 /nfs/dbraw/zinc/09/61/32/564096132.db2.gz NJMOBZOAKDRCEP-SFHVURJKSA-N 1 0 341.476 4.255 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169679067 564098114 /nfs/dbraw/zinc/09/81/14/564098114.db2.gz XAGKLLZFZIPBBI-SIKLNZKXSA-N 1 0 341.495 4.173 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c(C)c1 ZINC000006877363 564100372 /nfs/dbraw/zinc/10/03/72/564100372.db2.gz QWHMMAFHEDKYOC-UHFFFAOYSA-N 1 0 343.515 4.423 50 0 EIAARO CCc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000006877337 564100378 /nfs/dbraw/zinc/10/03/78/564100378.db2.gz VIPJNQJNJYGYDQ-UHFFFAOYSA-N 1 0 343.515 4.369 50 0 EIAARO O[C@H](C[NH2+]C1CCCCCC1)COc1cc(Cl)ccc1Cl ZINC000007004285 564102948 /nfs/dbraw/zinc/10/29/48/564102948.db2.gz RBIXUIIURUDCTA-CQSZACIVSA-N 1 0 332.271 4.046 50 0 EIAARO CCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C(C)C ZINC000065322292 564105237 /nfs/dbraw/zinc/10/52/37/564105237.db2.gz FRPNELDECWNIAG-UHFFFAOYSA-N 1 0 342.487 4.198 50 0 EIAARO Cc1cccc([C@H]2CCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000065533971 564107180 /nfs/dbraw/zinc/10/71/80/564107180.db2.gz AGVLJQLMKZBORH-GOSISDBHSA-N 1 0 338.480 4.189 50 0 EIAARO Cc1ccc(C[NH2+][C@@H]2CCCNc3ccccc32)c(N2CCCC2)n1 ZINC000170615554 564109992 /nfs/dbraw/zinc/10/99/92/564109992.db2.gz QELGPGADFYGZIH-HXUWFJFHSA-N 1 0 336.483 4.027 50 0 EIAARO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccccc1-n1cccn1 ZINC000089909881 564115255 /nfs/dbraw/zinc/11/52/55/564115255.db2.gz XXCINKABCYJGMA-CQSZACIVSA-N 1 0 338.480 4.447 50 0 EIAARO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CCCSc2ccccc2)CC1 ZINC000089929861 564115475 /nfs/dbraw/zinc/11/54/75/564115475.db2.gz UCMHGOGSQWASAH-QGZVFWFLSA-N 1 0 346.540 4.034 50 0 EIAARO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)C12CCC2 ZINC000236987480 564117734 /nfs/dbraw/zinc/11/77/34/564117734.db2.gz YWMPIMYNRMSNPP-KBPBESRZSA-N 1 0 331.428 4.173 50 0 EIAARO CCn1cc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)c(C)c2)cn1 ZINC000237020113 564117740 /nfs/dbraw/zinc/11/77/40/564117740.db2.gz FFGOUGMOMFRJQJ-UHFFFAOYSA-N 1 0 339.414 4.433 50 0 EIAARO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC[C@H]2c2ccsc2)c1C ZINC000252458451 564118616 /nfs/dbraw/zinc/11/86/16/564118616.db2.gz INIZFICLLUGPQC-BBRMVZONSA-N 1 0 344.480 4.304 50 0 EIAARO CC(=O)c1cc(C2CCCCC2)ccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000000155482 564118833 /nfs/dbraw/zinc/11/88/33/564118833.db2.gz YDNFNBFOFLARHO-GOSISDBHSA-N 1 0 347.499 4.065 50 0 EIAARO COc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222554 564119323 /nfs/dbraw/zinc/11/93/23/564119323.db2.gz SVNYVMJEQIWGGK-NRFANRHFSA-N 1 0 347.462 4.107 50 0 EIAARO Cc1ccc(NC(=S)NCC2([NH+](C)C)CCCCC2)cc1Cl ZINC000007662528 564121741 /nfs/dbraw/zinc/12/17/41/564121741.db2.gz UVVGWSFHEZWRFV-UHFFFAOYSA-N 1 0 339.936 4.199 50 0 EIAARO Clc1nc(Sc2ccccc2)sc1C[NH2+]C[C@H]1CCOC1 ZINC000065933352 564122370 /nfs/dbraw/zinc/12/23/70/564122370.db2.gz YHKBZYNZDDWAHD-LLVKDONJSA-N 1 0 340.901 4.074 50 0 EIAARO Cc1cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc(C)c1Cl ZINC000002674784 564125029 /nfs/dbraw/zinc/12/50/29/564125029.db2.gz ZCYYUSJJSWGWPN-DOTOQJQBSA-N 1 0 333.859 4.047 50 0 EIAARO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)COC(C)(C)O2)c1ccncc1F ZINC000253416003 564130785 /nfs/dbraw/zinc/13/07/85/564130785.db2.gz IZUOULLTUYRLRB-QWHCGFSZSA-N 1 0 330.403 4.278 50 0 EIAARO CC(C)(CO)[C@@H]([NH2+]CCOc1ccc(Cl)cc1)c1cccs1 ZINC000253429191 564131326 /nfs/dbraw/zinc/13/13/26/564131326.db2.gz MKCUYRBVBBZSRE-INIZCTEOSA-N 1 0 339.888 4.130 50 0 EIAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000013068712 564135932 /nfs/dbraw/zinc/13/59/32/564135932.db2.gz ZKECQDSQCJMSJV-QWHCGFSZSA-N 1 0 341.282 4.444 50 0 EIAARO O=C(NCCCNc1cc[nH+]cc1)Nc1ccccc1-c1ccccc1 ZINC000079073047 564137842 /nfs/dbraw/zinc/13/78/42/564137842.db2.gz JINBGSOEGOQOFK-UHFFFAOYSA-N 1 0 346.434 4.372 50 0 EIAARO COc1ccccc1Oc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000095422262 564140030 /nfs/dbraw/zinc/14/00/30/564140030.db2.gz BNCZZQPBKWYWQX-HNNXBMFYSA-N 1 0 337.423 4.072 50 0 EIAARO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(COC3CCOCC3)c2)o1 ZINC000095422335 564140058 /nfs/dbraw/zinc/14/00/58/564140058.db2.gz RVMNPMKBWFTPFP-MRXNPFEDSA-N 1 0 329.440 4.134 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]CCOC2CCCCCC2)cc1NC(C)=O ZINC000095968165 564143174 /nfs/dbraw/zinc/14/31/74/564143174.db2.gz NBQPNIDHAXMJDZ-OAHLLOKOSA-N 1 0 348.487 4.044 50 0 EIAARO C[C@H]1C[C@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CCO1 ZINC000095988708 564144097 /nfs/dbraw/zinc/14/40/97/564144097.db2.gz LXUSBTLCHVUBAI-DLBZAZTESA-N 1 0 344.499 4.205 50 0 EIAARO Clc1cccc(OCC[NH2+]CCCOc2ccccc2)c1Cl ZINC000096027016 564144949 /nfs/dbraw/zinc/14/49/49/564144949.db2.gz RPYDSQZUDUTKBG-UHFFFAOYSA-N 1 0 340.250 4.431 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000096027622 564145015 /nfs/dbraw/zinc/14/50/15/564145015.db2.gz VAIZWCXLYIRZSI-HDICACEKSA-N 1 0 336.479 4.155 50 0 EIAARO CC(C)[NH+](CCOC(=O)[C@@H](c1cccs1)[C@@H]1C=CCC1)C(C)C ZINC000096028072 564145037 /nfs/dbraw/zinc/14/50/37/564145037.db2.gz WQQMRGJZJZVYOZ-SJLPKXTDSA-N 1 0 335.513 4.460 50 0 EIAARO C(=C\c1ccc(OCC[NH+]2CCCC2)cc1)\c1nc2ccccc2o1 ZINC000096297814 564146604 /nfs/dbraw/zinc/14/66/04/564146604.db2.gz AREREGONGZYYCW-XFXZXTDPSA-N 1 0 334.419 4.473 50 0 EIAARO Cc1ccc(C)c(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)c1 ZINC000003058440 564154794 /nfs/dbraw/zinc/15/47/94/564154794.db2.gz PIDPGRCFKCXYRQ-UHFFFAOYSA-N 1 0 345.556 4.339 50 0 EIAARO C[C@@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211387 564156013 /nfs/dbraw/zinc/15/60/13/564156013.db2.gz ZFIGNLOEBSAXKI-DYVFJYSZSA-N 1 0 348.899 4.357 50 0 EIAARO CC[NH+]1CCN(C2=Nc3c4c2cccc4c(Cl)cc3Cl)CC1 ZINC000058168426 564157915 /nfs/dbraw/zinc/15/79/15/564157915.db2.gz DFDXVZCNFLSFTH-UHFFFAOYSA-N 1 0 334.250 4.176 50 0 EIAARO CN1CCC([NH2+]CC[C@](C)(c2cccs2)c2ccccc2)CC1 ZINC000031808698 564159923 /nfs/dbraw/zinc/15/99/23/564159923.db2.gz ARUHXPBBCKUSRX-FQEVSTJZSA-N 1 0 328.525 4.128 50 0 EIAARO C[C@@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008226145 564163652 /nfs/dbraw/zinc/16/36/52/564163652.db2.gz QOEZJEDASGJPBH-HNNXBMFYSA-N 1 0 336.410 4.438 50 0 EIAARO CC[NH+]1CCN(c2ccc(NC(=O)CCC3CCCCC3)cc2)CC1 ZINC000008388824 564164862 /nfs/dbraw/zinc/16/48/62/564164862.db2.gz ZJSCUNRSTPMMIA-UHFFFAOYSA-N 1 0 343.515 4.128 50 0 EIAARO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(OC(F)F)cc1 ZINC000066970944 564164870 /nfs/dbraw/zinc/16/48/70/564164870.db2.gz WLUBVHRPLWFWSX-LBPRGKRZSA-N 1 0 331.366 4.026 50 0 EIAARO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008427783 564165234 /nfs/dbraw/zinc/16/52/34/564165234.db2.gz FCFYIWZCENMUFN-GOSISDBHSA-N 1 0 336.479 4.277 50 0 EIAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[NH+]1CCC(C)CC1 ZINC000008714161 564166669 /nfs/dbraw/zinc/16/66/69/564166669.db2.gz ABWPREUABAEAHU-UHFFFAOYSA-N 1 0 349.272 4.243 50 0 EIAARO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccnc2)no1 ZINC000069679471 564171454 /nfs/dbraw/zinc/17/14/54/564171454.db2.gz RADWUCFYGCKYPE-RBUKOAKNSA-N 1 0 348.450 4.290 50 0 EIAARO Cc1ccc(C[N@H+]2CCCCCCN(C)C(=O)[C@@H]3CCC[C@@H]32)s1 ZINC000257181150 1022657543 /nfs/dbraw/zinc/65/75/43/1022657543.db2.gz MOAQGFSXMWILQC-MSOLQXFVSA-N 1 0 334.529 4.060 50 0 EIAARO CC(C)CC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257187736 1022713926 /nfs/dbraw/zinc/71/39/26/1022713926.db2.gz CDVAUGAQIQTUQE-HXUWFJFHSA-N 1 0 328.500 4.107 50 0 EIAARO C[N@@H+]1CCC[C@H]1CCn1ccc(-c2cccc(-c3cccnc3)c2)n1 ZINC000019794885 1023643381 /nfs/dbraw/zinc/64/33/81/1023643381.db2.gz LUSSMHQVVDUVTQ-FQEVSTJZSA-N 1 0 332.451 4.096 50 0 EIAARO Fc1cccc(F)c1CN1CC[N@@H+]2CCC[C@@H]2[C@H]1C1CCCCC1 ZINC000022876369 1025895524 /nfs/dbraw/zinc/89/55/24/1025895524.db2.gz YQXOABLFXYUKNB-WOJBJXKFSA-N 1 0 334.454 4.194 50 0 EIAARO CCO[C@@H](C[NH2+]Cc1c(C2CC2)nc2sccn12)c1ccccc1 ZINC000194469524 1026916987 /nfs/dbraw/zinc/91/69/87/1026916987.db2.gz ZYPWRERIOGSRLA-KRWDZBQOSA-N 1 0 341.480 4.141 50 0 EIAARO COc1cccc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)c1OC ZINC000023279612 1031340977 /nfs/dbraw/zinc/34/09/77/1031340977.db2.gz FVQRRUQETPMVPX-UHFFFAOYSA-N 1 0 335.447 4.264 50 0 EIAARO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(Cl)cc1F ZINC000177251106 1031479690 /nfs/dbraw/zinc/47/96/90/1031479690.db2.gz YOSUFLDVKJDUFC-UHFFFAOYSA-N 1 0 338.854 4.006 50 0 EIAARO CC(C)[N@@H+]1CC[C@@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000169785089 1036336521 /nfs/dbraw/zinc/33/65/21/1036336521.db2.gz YKJVAJAUGVSQAK-QGZVFWFLSA-N 1 0 349.434 4.265 50 0 EIAARO CC(=O)Nc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)cc1 ZINC000623345551 1040203177 /nfs/dbraw/zinc/20/31/77/1040203177.db2.gz IJSNBBPCLZAZDQ-UHFFFAOYSA-N 1 0 328.359 4.015 50 0 EIAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000032582123 1041835178 /nfs/dbraw/zinc/83/51/78/1041835178.db2.gz HVSLWNDFMZVPDM-OALUTQOASA-N 1 0 332.532 4.070 50 0 EIAARO C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(CCc2ccccc2F)C1 ZINC000012750840 1044505251 /nfs/dbraw/zinc/50/52/51/1044505251.db2.gz ZZPFZWVEPGDDBD-HXUWFJFHSA-N 1 0 340.486 4.212 50 0 EIAARO CSCCC[N@@H+]1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000014991127 1044846617 /nfs/dbraw/zinc/84/66/17/1044846617.db2.gz YEGFYPXXHDWIEI-UHFFFAOYSA-N 1 0 335.494 4.068 50 0 EIAARO O=C1CC[C@@H]([NH2+]C2c3ccccc3-c3ccccc32)CCN1CC1CC1 ZINC000952870364 1049678982 /nfs/dbraw/zinc/67/89/82/1049678982.db2.gz YFWCYDFBCKIGRX-QGZVFWFLSA-N 1 0 346.474 4.137 50 0 EIAARO CC(=O)c1ccc(NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000952989562 1049692160 /nfs/dbraw/zinc/69/21/60/1049692160.db2.gz WFXUJYUCYKBYCZ-FQEVSTJZSA-N 1 0 337.467 4.141 50 0 EIAARO C[C@H](c1cccc(NCc2cnc3ccccc3c2)c1)N1CCOCC1 ZINC000269307928 1053547831 /nfs/dbraw/zinc/54/78/31/1053547831.db2.gz HKWKYOWBRQVYDI-QGZVFWFLSA-N 1 0 347.462 4.240 50 0 EIAARO CC1CC[NH+](CCOc2ccc(Br)cc2Cl)CC1 ZINC000230549328 1056369591 /nfs/dbraw/zinc/36/95/91/1056369591.db2.gz HOBCPYKSOTXDFN-UHFFFAOYSA-N 1 0 332.669 4.213 50 0 EIAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000581788275 1059993655 /nfs/dbraw/zinc/99/36/55/1059993655.db2.gz ZGIBQESKKFXFBR-LJQANCHMSA-N 1 0 329.488 4.195 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000581807318 1060019127 /nfs/dbraw/zinc/01/91/27/1060019127.db2.gz LIKBFHLRVUYQIJ-INIZCTEOSA-N 1 0 338.455 4.013 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000581808847 1060022990 /nfs/dbraw/zinc/02/29/90/1060022990.db2.gz SLAULDFNCJMTGZ-INIZCTEOSA-N 1 0 337.467 4.036 50 0 EIAARO CCOc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000004728647 210262362 /nfs/dbraw/zinc/26/23/62/210262362.db2.gz WUCDVUYSHKJRHY-YADHBBJMSA-N 1 0 339.479 4.388 50 0 EIAARO CCCN(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000055118890 214276152 /nfs/dbraw/zinc/27/61/52/214276152.db2.gz SJQIYXVFAOVVPL-HXUWFJFHSA-N 1 0 329.532 4.338 50 0 EIAARO c1sc(CN(Cc2ccncc2)C2CC2)cc1C[NH+]1CCCCC1 ZINC000097757885 219054390 /nfs/dbraw/zinc/05/43/90/219054390.db2.gz ZABAAIIPHVUXAJ-UHFFFAOYSA-N 1 0 341.524 4.294 50 0 EIAARO Cc1nc(C)c([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000055173289 214282778 /nfs/dbraw/zinc/28/27/78/214282778.db2.gz NHSJXNSLJBIWOF-SECBINFHSA-N 1 0 338.860 4.035 50 0 EIAARO C[C@H]1CCC[C@H]([NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000004685771 210247907 /nfs/dbraw/zinc/24/79/07/210247907.db2.gz NHCIWPSEWAAMFH-HKUYNNGSSA-N 1 0 336.479 4.176 50 0 EIAARO COc1ccccc1CNc1[nH+]cc(-c2cccc(Cl)c2)n1C ZINC000004678250 210244993 /nfs/dbraw/zinc/24/49/93/210244993.db2.gz ORWKAORBFOHYKR-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO CSc1cccc(NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000058330749 214548640 /nfs/dbraw/zinc/54/86/40/214548640.db2.gz PWFPMZFUHZYLAM-RDTXWAMCSA-N 1 0 335.517 4.041 50 0 EIAARO CCCCCCOc1cccc(NC(=O)O[C@H]2C[NH+]3CCC2CC3)c1 ZINC000004566631 210221731 /nfs/dbraw/zinc/22/17/31/210221731.db2.gz IRDQWHHOSOSGMN-IBGZPJMESA-N 1 0 346.471 4.288 50 0 EIAARO Clc1ccc(CSc2nnc([C@@H]3CCC[NH2+]3)o2)cc1Cl ZINC000004295622 210163616 /nfs/dbraw/zinc/16/36/16/210163616.db2.gz FOZKVQYIRKDVEM-NSHDSACASA-N 1 0 330.240 4.093 50 0 EIAARO CN(C(=O)OCc1ccccc1)C1(C[NH+]2CCCC2)CCCCC1 ZINC000004289980 210162437 /nfs/dbraw/zinc/16/24/37/210162437.db2.gz HOGPUKJJBGBCIG-UHFFFAOYSA-N 1 0 330.472 4.054 50 0 EIAARO CCC[NH+](CCC)[C@@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000004144458 210132683 /nfs/dbraw/zinc/13/26/83/210132683.db2.gz VGWHYDHPBLEXST-HXUWFJFHSA-N 1 0 340.467 4.497 50 0 EIAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004011371 210099705 /nfs/dbraw/zinc/09/97/05/210099705.db2.gz STYAGPHRIVPVTJ-MBOZVWFJSA-N 1 0 337.463 4.090 50 0 EIAARO O[C@@H](C[NH2+][C@H]1CCCc2ccccc21)COc1ccc2ccccc2c1 ZINC000003401915 210028002 /nfs/dbraw/zinc/02/80/02/210028002.db2.gz IFKJZRBFDUBHHF-REWPJTCUSA-N 1 0 347.458 4.247 50 0 EIAARO CC(C)c1cc(Br)ccc1OCCC1CC[NH2+]CC1 ZINC000042770411 213533410 /nfs/dbraw/zinc/53/34/10/213533410.db2.gz NLBBFHMRNKSOBF-UHFFFAOYSA-N 1 0 326.278 4.341 50 0 EIAARO COc1ccccc1Oc1ncccc1C[NH2+][C@@H](C)CC(F)(F)F ZINC000067818378 215219914 /nfs/dbraw/zinc/21/99/14/215219914.db2.gz HOTPYSOOEFFSNY-LBPRGKRZSA-N 1 0 340.345 4.313 50 0 EIAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)cc1 ZINC000067908948 215248972 /nfs/dbraw/zinc/24/89/72/215248972.db2.gz LAJBYAKEVFHKAJ-IBGZPJMESA-N 1 0 347.462 4.470 50 0 EIAARO CC[NH+](CC)CCNC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000002180634 209827221 /nfs/dbraw/zinc/82/72/21/209827221.db2.gz HYBLLYXPJJJHQA-UHFFFAOYSA-N 1 0 332.532 4.353 50 0 EIAARO COc1ccc(CC[C@H](C)[NH2+]CCCc2ccccc2)c(OC)c1 ZINC000002132860 209822744 /nfs/dbraw/zinc/82/27/44/209822744.db2.gz UKKOHDVNWVUEIG-KRWDZBQOSA-N 1 0 327.468 4.247 50 0 biogenic EIAARO C[C@@H]([NH3+])c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 ZINC000040435159 213304222 /nfs/dbraw/zinc/30/42/22/213304222.db2.gz OXUQPVQALZBYSG-CQSZACIVSA-N 1 0 341.418 4.455 50 0 EIAARO O=C(Nc1ccc2ccccc2n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000040158588 213276046 /nfs/dbraw/zinc/27/60/46/213276046.db2.gz MZGAQLALLHQATJ-LJQANCHMSA-N 1 0 345.446 4.086 50 0 EIAARO CC(C)(C)[C@@H]([NH2+]Cn1nc2ccccn2c1=S)c1cccs1 ZINC000040155523 213274986 /nfs/dbraw/zinc/27/49/86/213274986.db2.gz KFKKTWCYRPMLKJ-AWEZNQCLSA-N 1 0 332.498 4.261 50 0 EIAARO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000040155743 213275033 /nfs/dbraw/zinc/27/50/33/213275033.db2.gz LDMLFYPZKVFUHB-IBGZPJMESA-N 1 0 342.508 4.010 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000040096503 213263711 /nfs/dbraw/zinc/26/37/11/213263711.db2.gz HTPIGDHLMOBYBX-OAHLLOKOSA-N 1 0 337.876 4.134 50 0 EIAARO Fc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000040086365 213260029 /nfs/dbraw/zinc/26/00/29/213260029.db2.gz CXDQJWVKJLCDSN-FQEVSTJZSA-N 1 0 335.426 4.238 50 0 EIAARO Fc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1F ZINC000039769819 213242450 /nfs/dbraw/zinc/24/24/50/213242450.db2.gz PAVUUPCGSDKDRN-UXHICEINSA-N 1 0 334.454 4.194 50 0 EIAARO C(\c1ccccc1)=C1/CCCC2=C1[NH+]=C1N=CNN1[C@H]2c1ccccc1 ZINC000038166277 213203627 /nfs/dbraw/zinc/20/36/27/213203627.db2.gz SAYZCJZXFRGCCR-NUVSWBFWSA-N 1 0 340.430 4.467 50 0 EIAARO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000037580725 213158551 /nfs/dbraw/zinc/15/85/51/213158551.db2.gz IGGMGZRDUDBVSX-UHFFFAOYSA-N 1 0 336.479 4.267 50 0 EIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036094939 213063739 /nfs/dbraw/zinc/06/37/39/213063739.db2.gz LUBRNIWQZQHXET-OAQYLSRUSA-N 1 0 341.495 4.201 50 0 EIAARO c1cn(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(-c2cccc3cccnc32)n1 ZINC000071663133 215792353 /nfs/dbraw/zinc/79/23/53/215792353.db2.gz NEDYKDSLIFHDCW-AZUAARDMSA-N 1 0 346.478 4.363 50 0 EIAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc4c(c3)OCCO4)c2c1 ZINC000000318339 209533959 /nfs/dbraw/zinc/53/39/59/209533959.db2.gz NUBUQFGLWLBZBV-UHFFFAOYSA-N 1 0 336.391 4.457 50 0 EIAARO C[N@H+](Cc1cccc(Cn2cccn2)c1)Cc1cccc2cnccc21 ZINC000072417993 216206374 /nfs/dbraw/zinc/20/63/74/216206374.db2.gz KXWNAKYIFZEYRX-UHFFFAOYSA-N 1 0 342.446 4.112 50 0 EIAARO CCc1ccc([C@H](CNC(=O)c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000028293172 212614045 /nfs/dbraw/zinc/61/40/45/212614045.db2.gz CEEUMIPRIZIOFK-NRFANRHFSA-N 1 0 336.479 4.124 50 0 EIAARO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cnc(-c3ccco3)nc2)c1 ZINC000072423801 216213073 /nfs/dbraw/zinc/21/30/73/216213073.db2.gz CYHBIKTUWFYMPG-IBGZPJMESA-N 1 0 349.434 4.472 50 0 EIAARO Fc1ccccc1C[N@@H+]1CCC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000072425773 216216558 /nfs/dbraw/zinc/21/65/58/216216558.db2.gz GBCSMMWBZLLRPL-SFHVURJKSA-N 1 0 335.426 4.450 50 0 EIAARO Cc1cccc([C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000072477409 216255890 /nfs/dbraw/zinc/25/58/90/216255890.db2.gz ZNRGNWVTIROSLE-GOSISDBHSA-N 1 0 341.524 4.431 50 0 EIAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(-c3cc[nH]n3)s2)c1 ZINC000072475755 216253285 /nfs/dbraw/zinc/25/32/85/216253285.db2.gz PMNVVXVETCVCGR-GOSISDBHSA-N 1 0 339.464 4.484 50 0 EIAARO O=C(Nc1ccccc1N1CCCC1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023251725 212365029 /nfs/dbraw/zinc/36/50/29/212365029.db2.gz PNEWWBDQOIKFBO-OAHLLOKOSA-N 1 0 341.480 4.025 50 0 EIAARO COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)[NH2+]CC2 ZINC000023230345 212361739 /nfs/dbraw/zinc/36/17/39/212361739.db2.gz SXEUGKGJVRBMOH-IBGZPJMESA-N 1 0 341.451 4.093 50 0 EIAARO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@@H]1CCc2ccccc21 ZINC000023146087 212355329 /nfs/dbraw/zinc/35/53/29/212355329.db2.gz HMRWABYNFASQFP-GOSISDBHSA-N 1 0 328.843 4.288 50 0 EIAARO Fc1ccccc1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000023129670 212352289 /nfs/dbraw/zinc/35/22/89/212352289.db2.gz LRUIPOAQDPURNE-CQSZACIVSA-N 1 0 325.387 4.188 50 0 EIAARO COc1ccc2ccccc2c1C[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000022925582 212335485 /nfs/dbraw/zinc/33/54/85/212335485.db2.gz DXFNBOIYPQEZEY-OAQYLSRUSA-N 1 0 334.463 4.241 50 0 EIAARO COc1cc(C[NH2+][C@@H](C)c2ccccc2Cl)cc(OC)c1OC ZINC000022781128 212323998 /nfs/dbraw/zinc/32/39/98/212323998.db2.gz MPACXDOWWOTFBM-LBPRGKRZSA-N 1 0 335.831 4.217 50 0 EIAARO O=C(CC[N@H+](Cc1ccco1)Cc1ccccc1)Nc1ccccc1 ZINC000022199016 212281484 /nfs/dbraw/zinc/28/14/84/212281484.db2.gz OVJCHXNJWDKPCV-UHFFFAOYSA-N 1 0 334.419 4.311 50 0 EIAARO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1OC ZINC000021720268 212244381 /nfs/dbraw/zinc/24/43/81/212244381.db2.gz HFWPMSUGQDTQKD-QGZVFWFLSA-N 1 0 344.455 4.426 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000021718219 212243290 /nfs/dbraw/zinc/24/32/90/212243290.db2.gz PUMGQWDXGSATSH-IYBDPMFKSA-N 1 0 347.478 4.048 50 0 EIAARO COc1ccc([C@](C)(O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000021169973 212214148 /nfs/dbraw/zinc/21/41/48/212214148.db2.gz PUNVHTFMJIWTCK-VXKWHMMOSA-N 1 0 339.479 4.172 50 0 EIAARO Cc1ccccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170737 212213850 /nfs/dbraw/zinc/21/38/50/212213850.db2.gz AKXVUNGBBGWXAF-IBGZPJMESA-N 1 0 328.500 4.256 50 0 EIAARO O=C(C1CC1)N1CCC[N@H+](Cc2cccc3c4ccccc4oc32)CC1 ZINC000244882499 243094944 /nfs/dbraw/zinc/09/49/44/243094944.db2.gz XTBDIKSEIKLVGR-UHFFFAOYSA-N 1 0 348.446 4.030 50 0 EIAARO CCc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000020598330 212150348 /nfs/dbraw/zinc/15/03/48/212150348.db2.gz LCBKOXJOBJWZMT-OAHLLOKOSA-N 1 0 337.389 4.371 50 0 EIAARO C/C=C(\C)C(=O)Nc1ccccc1C[C@H]1c2ccccc2CC[N@H+]1C ZINC000020412875 212126547 /nfs/dbraw/zinc/12/65/47/212126547.db2.gz MFIHINBTMKETRH-WHMRNBQXSA-N 1 0 334.463 4.363 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@H](O)c1ccccc1 ZINC000020312659 212118071 /nfs/dbraw/zinc/11/80/71/212118071.db2.gz RRGVCYTYQVAYDT-VLIAUNLRSA-N 1 0 325.383 4.297 50 0 EIAARO C[NH+](C)CCCn1ccc(-c2cccc(-c3ncccc3Cl)c2)n1 ZINC000020109779 212102338 /nfs/dbraw/zinc/10/23/38/212102338.db2.gz YTERBXLKMOKJLL-UHFFFAOYSA-N 1 0 340.858 4.217 50 0 EIAARO CN1CC[NH+](CCCCOc2ccc(Cl)cc2C(C)(C)C)CC1 ZINC000020118340 212102844 /nfs/dbraw/zinc/10/28/44/212102844.db2.gz IHHXEMPNBVKAHX-UHFFFAOYSA-N 1 0 338.923 4.044 50 0 EIAARO FC(F)(F)c1ccccc1CN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019889621 212079741 /nfs/dbraw/zinc/07/97/41/212079741.db2.gz UXRSFDGDSYIQEX-MRXNPFEDSA-N 1 0 338.417 4.179 50 0 EIAARO CCCCN1C(=O)C2=C(CCCC2)[C@@H]1[NH2+][C@H](C)CCc1ccccc1 ZINC000019907713 212082131 /nfs/dbraw/zinc/08/21/31/212082131.db2.gz PILDCWFKZJVIIB-DYESRHJHSA-N 1 0 340.511 4.436 50 0 EIAARO Cc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019900147 212080918 /nfs/dbraw/zinc/08/09/18/212080918.db2.gz JBSYEUABURXKTA-UHFFFAOYSA-N 1 0 330.475 4.466 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2OCCc3ccccc32)cc1C ZINC000019867235 212077086 /nfs/dbraw/zinc/07/70/86/212077086.db2.gz XIUSHVSKSCLZTK-NRFANRHFSA-N 1 0 347.462 4.097 50 0 EIAARO Cc1cccc2c1Sc1ccc(Cl)cc1C[C@@H]2N1CC[NH2+]CC1 ZINC000019802204 212070159 /nfs/dbraw/zinc/07/01/59/212070159.db2.gz VLXDGXQTILRZDH-KRWDZBQOSA-N 1 0 344.911 4.302 50 0 EIAARO c1coc(C[NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)c1 ZINC000078411694 217049873 /nfs/dbraw/zinc/04/98/73/217049873.db2.gz YCGRETONPXSTAQ-UHFFFAOYSA-N 1 0 343.430 4.481 50 0 EIAARO CC(C)(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)Nc3cccs3)CC2)C1 ZINC000012468039 211391034 /nfs/dbraw/zinc/39/10/34/211391034.db2.gz SWXKOWZGJKXGAV-INIZCTEOSA-N 1 0 349.544 4.360 50 0 EIAARO CN(C(=O)CC1=CCCCC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012438367 211381709 /nfs/dbraw/zinc/38/17/09/211381709.db2.gz CTMAHIWRNVSJDN-OAQYLSRUSA-N 1 0 340.511 4.042 50 0 EIAARO O[C@@H](C[NH2+]C1CCCCC1)COc1ccccc1-c1ccccc1 ZINC000012420033 211374491 /nfs/dbraw/zinc/37/44/91/211374491.db2.gz UNLDFROGRAIZON-IBGZPJMESA-N 1 0 325.452 4.016 50 0 EIAARO CC[C@H](C(=O)OCC1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000089947868 217893388 /nfs/dbraw/zinc/89/33/88/217893388.db2.gz YFFBIHQGTKWFIX-FQEVSTJZSA-N 1 0 341.451 4.229 50 0 EIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012315295 211343752 /nfs/dbraw/zinc/34/37/52/211343752.db2.gz QZKLBYVMKOOGPT-KRWDZBQOSA-N 1 0 328.456 4.349 50 0 EIAARO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000012307170 211342356 /nfs/dbraw/zinc/34/23/56/211342356.db2.gz UKKIWYLMHUAJLL-FQEVSTJZSA-N 1 0 332.451 4.153 50 0 EIAARO CSc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000012227876 211325611 /nfs/dbraw/zinc/32/56/11/211325611.db2.gz IFROUXZTWMUQPG-NRFANRHFSA-N 1 0 341.520 4.226 50 0 EIAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000012298784 211337319 /nfs/dbraw/zinc/33/73/19/211337319.db2.gz LBCGMDFJCDWYMR-KRWDZBQOSA-N 1 0 338.499 4.406 50 0 EIAARO OC1(C[NH2+]Cc2c[nH]nc2-c2cccc3ccccc32)CCCCC1 ZINC000012300267 211336963 /nfs/dbraw/zinc/33/69/63/211336963.db2.gz BQOHWCHIOCAGSX-UHFFFAOYSA-N 1 0 335.451 4.015 50 0 EIAARO CSC[C@H](C)[NH+]1CCC(c2n[nH]cc2-c2ccccc2C)CC1 ZINC000011790001 211248111 /nfs/dbraw/zinc/24/81/11/211248111.db2.gz DKGIOCKCPIYTJM-HNNXBMFYSA-N 1 0 329.513 4.316 50 0 EIAARO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](C3CCSCC3)C2)cc1C ZINC000011753560 211243087 /nfs/dbraw/zinc/24/30/87/211243087.db2.gz GZSABPQTELBHGH-MRXNPFEDSA-N 1 0 347.524 4.102 50 0 EIAARO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434633 211173313 /nfs/dbraw/zinc/17/33/13/211173313.db2.gz SBOYXRKKROYCFU-ONUXSRJRSA-N 1 0 349.559 4.376 50 0 EIAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)c1 ZINC000010434614 211172856 /nfs/dbraw/zinc/17/28/56/211172856.db2.gz MTDDKIWXTNQNIX-CQSZACIVSA-N 1 0 325.330 4.234 50 0 EIAARO O=C(Nc1ccc(F)c(F)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010434077 211172796 /nfs/dbraw/zinc/17/27/96/211172796.db2.gz HGAXETDDODALNM-UHFFFAOYSA-N 1 0 330.378 4.203 50 0 EIAARO Cc1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010328895 211164783 /nfs/dbraw/zinc/16/47/83/211164783.db2.gz PMIZPSQZRZAKHW-QFIPXVFZSA-N 1 0 346.474 4.110 50 0 EIAARO Cc1ccc2[nH]c(=O)c(C[NH+]3CCCCC3)c(-c3ccccc3)c2c1 ZINC000009186793 211049279 /nfs/dbraw/zinc/04/92/79/211049279.db2.gz YBUYQLBYQGZSCZ-UHFFFAOYSA-N 1 0 332.447 4.489 50 0 EIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1cccs1 ZINC000008863100 211012067 /nfs/dbraw/zinc/01/20/67/211012067.db2.gz CYOLXAYUXXZTSO-OAHLLOKOSA-N 1 0 334.510 4.157 50 0 EIAARO Cc1cc([C@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c(C)s1 ZINC000095420602 218362062 /nfs/dbraw/zinc/36/20/62/218362062.db2.gz WXPQCUQOTUIGKA-ZDUSSCGKSA-N 1 0 326.469 4.105 50 0 EIAARO C[C@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1cc2ccccc2o1 ZINC000095421525 218362909 /nfs/dbraw/zinc/36/29/09/218362909.db2.gz JHBLWEWLTJIETO-KRWDZBQOSA-N 1 0 349.478 4.186 50 0 EIAARO COc1ccccc1[C@H](C)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000095421651 218363217 /nfs/dbraw/zinc/36/32/17/218363217.db2.gz KTSCLZSBZYGSNT-CABCVRRESA-N 1 0 326.440 4.108 50 0 EIAARO C[C@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)c2ccsc2S1 ZINC000095968961 218473365 /nfs/dbraw/zinc/47/33/65/218473365.db2.gz FPMPWQIDAVKXIY-HWWQOWPSSA-N 1 0 344.505 4.389 50 0 EIAARO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000005073651 210385292 /nfs/dbraw/zinc/38/52/92/210385292.db2.gz BBJFXYAQZMJWIG-QFBILLFUSA-N 1 0 327.468 4.075 50 0 EIAARO Cc1cc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)ccc1C(C)C ZINC000005073662 210384912 /nfs/dbraw/zinc/38/49/12/210384912.db2.gz FEHSPDGIMNPGSF-HKUYNNGSSA-N 1 0 327.468 4.209 50 0 EIAARO CCOc1ccc(C[NH2+]CCc2c[nH]c3ccccc23)cc1OCC ZINC000005051143 210376106 /nfs/dbraw/zinc/37/61/06/210376106.db2.gz SXGBPZWWABEAMK-UHFFFAOYSA-N 1 0 338.451 4.298 50 0 EIAARO C[N@H+](CCCNC(=O)c1csc2c1CCCCC2)C1CCCCC1 ZINC000005070461 210383337 /nfs/dbraw/zinc/38/33/37/210383337.db2.gz FCINLPDOKMAZLQ-UHFFFAOYSA-N 1 0 348.556 4.401 50 0 EIAARO COc1cc(C[NH2+]C(C)C)c(Br)cc1OC1CCCC1 ZINC000005013862 210361798 /nfs/dbraw/zinc/36/17/98/210361798.db2.gz NJIPGYWUMQPJEH-UHFFFAOYSA-N 1 0 342.277 4.277 50 0 EIAARO COc1ccc(CC[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000004986012 210349737 /nfs/dbraw/zinc/34/97/37/210349737.db2.gz QBWVCTNWZKFBEE-AWEZNQCLSA-N 1 0 337.385 4.477 50 0 EIAARO CC[n+]1c(/C=C/c2ccc(OC(C)=O)c(OC)c2)ccc2ccccc21 ZINC000004937197 210330174 /nfs/dbraw/zinc/33/01/74/210330174.db2.gz DAIZHFWOUIAZCB-FMIVXFBMSA-N 1 0 348.422 4.252 50 0 EIAARO C[C@H]1CCC[N@H+](CCOCCOc2ccccc2-c2ccccc2)C1 ZINC000004907497 210319241 /nfs/dbraw/zinc/31/92/41/210319241.db2.gz PSCYBUVYHUPSDO-IBGZPJMESA-N 1 0 339.479 4.481 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000004776938 210275072 /nfs/dbraw/zinc/27/50/72/210275072.db2.gz UXMJITOZBAWGQO-ROUUACIJSA-N 1 0 348.490 4.428 50 0 EIAARO c1coc(-c2ncc(C[NH2+][C@H](c3ccccc3)[C@H]3CCCO3)s2)c1 ZINC000193068567 257951595 /nfs/dbraw/zinc/95/15/95/257951595.db2.gz DIKRGGLHOCNTEH-SJLPKXTDSA-N 1 0 340.448 4.413 50 0 EIAARO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCCn1ccnc1 ZINC000089562805 258066128 /nfs/dbraw/zinc/06/61/28/258066128.db2.gz HKHCHUJBOAYZNF-AWEZNQCLSA-N 1 0 326.469 4.056 50 0 EIAARO O=C(NC1(c2ccccc2)CC1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299759044 258076803 /nfs/dbraw/zinc/07/68/03/258076803.db2.gz MXYQQOMQTREPAA-HBMCJLEFSA-N 1 0 346.474 4.018 50 0 EIAARO C1=CC2(CC[NH+](Cc3cc(-c4ccncc4)no3)CC2)c2ccccc21 ZINC000244774223 533479644 /nfs/dbraw/zinc/47/96/44/533479644.db2.gz PPVWSVKMUGNPLZ-UHFFFAOYSA-N 1 0 343.430 4.297 50 0 EIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2)s1 ZINC000036101643 524406187 /nfs/dbraw/zinc/40/61/87/524406187.db2.gz NHRLOZDNZUYYRP-SFHVURJKSA-N 1 0 347.524 4.345 50 0 EIAARO COc1ccc(Oc2ccc(C[NH2+]Cc3cccc(F)c3)cn2)cc1 ZINC000040120021 524993934 /nfs/dbraw/zinc/99/39/34/524993934.db2.gz MOMONFMCVHJSCQ-UHFFFAOYSA-N 1 0 338.382 4.311 50 0 EIAARO Cc1cc(Br)ccc1OCCCC[NH+]1CCCCC1 ZINC000003003404 526173216 /nfs/dbraw/zinc/17/32/16/526173216.db2.gz JTYGCCQWYOUEAE-UHFFFAOYSA-N 1 0 326.278 4.402 50 0 EIAARO CC[C@@H]([NH2+][C@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 ZINC000163820617 529205703 /nfs/dbraw/zinc/20/57/03/529205703.db2.gz GOWLBMWEZWPDJP-IIBYNOLFSA-N 1 0 340.467 4.441 50 0 EIAARO CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1(C)C ZINC000229625647 535371936 /nfs/dbraw/zinc/37/19/36/535371936.db2.gz QYUAOULWNVCYBT-MTFMMBMASA-N 1 0 340.511 4.177 50 0 EIAARO COc1cc(Br)c(C[NH2+][C@H]2CCCC[C@H]2C)cc1OC ZINC000000183499 564012156 /nfs/dbraw/zinc/01/21/56/564012156.db2.gz UCXXVXIRWXGCGZ-RISCZKNCSA-N 1 0 342.277 4.135 50 0 EIAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000000293755 563274121 /nfs/dbraw/zinc/27/41/21/563274121.db2.gz LWFQOCDKPRJZQE-SFHVURJKSA-N 1 0 339.435 4.254 50 0 EIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002164620 563424726 /nfs/dbraw/zinc/42/47/26/563424726.db2.gz QQWVYTCJSIMTRC-GFCCVEGCSA-N 1 0 344.286 4.379 50 0 EIAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034682757 563450483 /nfs/dbraw/zinc/45/04/83/563450483.db2.gz SIKMAAJPMGVLPO-UHFFFAOYSA-N 1 0 344.430 4.216 50 0 EIAARO C[C@H](O)C[NH2+]CCCCOc1ccc(Cl)cc1Cc1ccccc1 ZINC000002879642 563460473 /nfs/dbraw/zinc/46/04/73/563460473.db2.gz LWGFPBKYUKMXBW-INIZCTEOSA-N 1 0 347.886 4.060 50 0 EIAARO CC1CC[NH+](CCOCCOc2cccc(Cl)c2Cl)CC1 ZINC000002956553 563464516 /nfs/dbraw/zinc/46/45/16/563464516.db2.gz UQBIULHTVFNCCD-UHFFFAOYSA-N 1 0 332.271 4.121 50 0 EIAARO FC(F)(F)c1cccc(N2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000004980892 563517010 /nfs/dbraw/zinc/51/70/10/563517010.db2.gz BIOSBCIKBPHJTQ-UHFFFAOYSA-N 1 0 348.412 4.460 50 0 EIAARO CC1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000004981331 563517398 /nfs/dbraw/zinc/51/73/98/563517398.db2.gz HKYYJFXCYFAYNL-UHFFFAOYSA-N 1 0 326.406 4.406 50 0 EIAARO O[C@]12CCCC[C@H]1[C@H](c1cccc(OCc3ccccc3)c1)[NH2+]CC2 ZINC000005683306 563545489 /nfs/dbraw/zinc/54/54/89/563545489.db2.gz NXWLYGWIEVOKFF-FKBYEOEOSA-N 1 0 337.463 4.221 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000071911682 563588274 /nfs/dbraw/zinc/58/82/74/563588274.db2.gz DAPGXQOUCOUGBX-ROUUACIJSA-N 1 0 329.488 4.113 50 0 EIAARO COc1ccc(C[C@@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012383613 563659398 /nfs/dbraw/zinc/65/93/98/563659398.db2.gz ZGOBGUXYDWORCM-MRXNPFEDSA-N 1 0 344.886 4.102 50 0 EIAARO COc1ccc(C[C@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000012383612 563659406 /nfs/dbraw/zinc/65/94/06/563659406.db2.gz ZGOBGUXYDWORCM-INIZCTEOSA-N 1 0 344.886 4.102 50 0 EIAARO Cc1c([C@@H](C)[NH2+]Cc2cccc(F)c2)cnn1-c1cccc(F)c1 ZINC000012711846 563668636 /nfs/dbraw/zinc/66/86/36/563668636.db2.gz JSJVZNSMWJWAAW-CYBMUJFWSA-N 1 0 327.378 4.310 50 0 EIAARO C[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804135 563740847 /nfs/dbraw/zinc/74/08/47/563740847.db2.gz QYBZZRGYQAVPPA-SFHVURJKSA-N 1 0 348.490 4.045 50 0 EIAARO CC(C)n1cc(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)ncc32)cn1 ZINC000014957562 563768078 /nfs/dbraw/zinc/76/80/78/563768078.db2.gz DFLZNZDGCCUNFR-LJQANCHMSA-N 1 0 347.466 4.088 50 0 EIAARO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000015256485 563780750 /nfs/dbraw/zinc/78/07/50/563780750.db2.gz KCCXMAVTDNUQDR-SFHVURJKSA-N 1 0 331.504 4.124 50 0 EIAARO COc1cc(OC)c(OC)cc1CNc1cc(C)[nH+]c2ccccc12 ZINC000032902983 563789956 /nfs/dbraw/zinc/78/99/56/563789956.db2.gz UJDFDMPILVKMLH-UHFFFAOYSA-N 1 0 338.407 4.181 50 0 EIAARO Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)c1 ZINC000015831538 563793429 /nfs/dbraw/zinc/79/34/29/563793429.db2.gz RGYWTEXKJPCOPQ-HXUWFJFHSA-N 1 0 328.500 4.256 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCC2)o1 ZINC000015860201 563796550 /nfs/dbraw/zinc/79/65/50/563796550.db2.gz GBWYVSQXFNSNAB-QGZVFWFLSA-N 1 0 346.858 4.198 50 0 EIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000015860036 563796562 /nfs/dbraw/zinc/79/65/62/563796562.db2.gz GOWCZKPIPFCRHJ-FQEVSTJZSA-N 1 0 348.446 4.390 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2cccc3ccccc32)[NH+]2CCCC2)o1 ZINC000015860244 563796617 /nfs/dbraw/zinc/79/66/17/563796617.db2.gz XHJBJMHRCUMTTP-FQEVSTJZSA-N 1 0 348.446 4.308 50 0 EIAARO O[C@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000016480406 563812776 /nfs/dbraw/zinc/81/27/76/563812776.db2.gz PJFCCGOBCVOMPV-JOCHJYFZSA-N 1 0 333.431 4.089 50 0 EIAARO CC[NH+]1CCC(NC(=O)c2sc3cc(C)ccc3c2Cl)CC1 ZINC000016602982 563816397 /nfs/dbraw/zinc/81/63/97/563816397.db2.gz DBZJBQAPROCXHG-UHFFFAOYSA-N 1 0 336.888 4.077 50 0 EIAARO Fc1cc(C[NH+]2CCCCC2)c2c(c1)CO[C@H](c1ccsc1)O2 ZINC000016699040 563821396 /nfs/dbraw/zinc/82/13/96/563821396.db2.gz LOHCBPQXJSTLRX-SFHVURJKSA-N 1 0 333.428 4.481 50 0 EIAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F ZINC000032925022 563826058 /nfs/dbraw/zinc/82/60/58/563826058.db2.gz HDUJBWCGMUMKAH-UHFFFAOYSA-N 1 0 348.849 4.249 50 0 EIAARO CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000025156835 563881525 /nfs/dbraw/zinc/88/15/25/563881525.db2.gz LYHLATABDYOCRS-VQTJNVASSA-N 1 0 340.511 4.137 50 0 EIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000027580620 563896806 /nfs/dbraw/zinc/89/68/06/563896806.db2.gz CGTSTEFHIIJTKD-MRXNPFEDSA-N 1 0 348.899 4.359 50 0 EIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1ccccc1Cl ZINC000027580709 563896834 /nfs/dbraw/zinc/89/68/34/563896834.db2.gz AYRJBIDAZBOUBY-MRXNPFEDSA-N 1 0 348.899 4.359 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccs1)c1ccccc1Cl ZINC000027578783 563896919 /nfs/dbraw/zinc/89/69/19/563896919.db2.gz JEIIFRYYKOCOBQ-HNNXBMFYSA-N 1 0 336.888 4.214 50 0 EIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCCC1)c1cccs1 ZINC000027662528 563898409 /nfs/dbraw/zinc/89/84/09/563898409.db2.gz GJQBEWANIDLFDQ-AWEZNQCLSA-N 1 0 334.510 4.157 50 0 EIAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000028074342 563901392 /nfs/dbraw/zinc/90/13/92/563901392.db2.gz FWYDSGLISKZDDH-NRFANRHFSA-N 1 0 330.431 4.443 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2C)c2ccc(C)cc12 ZINC000028297092 563902517 /nfs/dbraw/zinc/90/25/17/563902517.db2.gz XYNAGHMHYXSCDA-XFQXTVEOSA-N 1 0 328.500 4.096 50 0 EIAARO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCc2ccccc21 ZINC000029482268 563906489 /nfs/dbraw/zinc/90/64/89/563906489.db2.gz VHGYWYZOMPSGHF-QGZVFWFLSA-N 1 0 348.368 4.263 50 0 EIAARO CCc1cccc(CC)c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029482832 563906550 /nfs/dbraw/zinc/90/65/50/563906550.db2.gz GWWIUPIZRBBSFT-FQEVSTJZSA-N 1 0 336.479 4.369 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc2ccccc2c1)[C@H]1CCc2ccccc21 ZINC000029482975 563906831 /nfs/dbraw/zinc/90/68/31/563906831.db2.gz MNSBBQOFSJMFRT-NRFANRHFSA-N 1 0 330.431 4.398 50 0 EIAARO COc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccc(Cl)cc3)c2c1 ZINC000033018699 563914707 /nfs/dbraw/zinc/91/47/07/563914707.db2.gz ZRKIKFUOCWLYMX-UHFFFAOYSA-N 1 0 343.810 4.087 50 0 EIAARO FC(F)(F)c1ccccc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000000212548 563917139 /nfs/dbraw/zinc/91/71/39/563917139.db2.gz UCEHXIKITZDDGN-UHFFFAOYSA-N 1 0 348.412 4.460 50 0 EIAARO Clc1ccccc1CC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000000756989 563917721 /nfs/dbraw/zinc/91/77/21/563917721.db2.gz AAJPBQZZYDBFLT-UHFFFAOYSA-N 1 0 328.887 4.137 50 0 EIAARO Cc1cc(Cl)ccc1OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000002940436 563918678 /nfs/dbraw/zinc/91/86/78/563918678.db2.gz GJXGWWYASKEQEX-OAHLLOKOSA-N 1 0 327.896 4.193 50 0 EIAARO Clc1ccccc1-c1ccc(C[NH2+]CCOc2ccccn2)o1 ZINC000057354904 563935571 /nfs/dbraw/zinc/93/55/71/563935571.db2.gz MVBGCEFRKWZYQG-UHFFFAOYSA-N 1 0 328.799 4.164 50 0 EIAARO C[C@@H]1CCCC[C@H]1OCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000058345004 563943231 /nfs/dbraw/zinc/94/32/31/563943231.db2.gz UJBUNJBNRVMAAW-ZIFCJYIRSA-N 1 0 337.529 4.324 50 0 EIAARO [NH2+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)Nc1ccccc1 ZINC000058366282 563943871 /nfs/dbraw/zinc/94/38/71/563943871.db2.gz CQOWHTJXRDICKR-UHFFFAOYSA-N 1 0 336.370 4.149 50 0 EIAARO Cc1cc(-n2nc(C3CC3)nc2-c2cnc3ccccc3c2)cc[nH+]1 ZINC000065385380 563959138 /nfs/dbraw/zinc/95/91/38/563959138.db2.gz IGKOXAYPYHSNTJ-UHFFFAOYSA-N 1 0 327.391 4.063 50 0 EIAARO CC(C)c1noc([C@@H](C)[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000065393889 563959526 /nfs/dbraw/zinc/95/95/26/563959526.db2.gz LXCQIVKQRWYIIY-VXGBXAGGSA-N 1 0 341.377 4.494 50 0 EIAARO Cc1cc2oc(=O)cc(CN(C)[C@@H](C)c3nccs3)c2cc1C ZINC000065406239 563960072 /nfs/dbraw/zinc/96/00/72/563960072.db2.gz CGIIPZBDXSYVEZ-ZDUSSCGKSA-N 1 0 328.437 4.059 50 0 EIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000065410298 563960461 /nfs/dbraw/zinc/96/04/61/563960461.db2.gz LMRFCCRAPREINB-KRWDZBQOSA-N 1 0 349.434 4.166 50 0 EIAARO Cc1noc(-c2ccnc(-c3cccc([C@H](C)[NH+]4CCCC4)c3)c2)n1 ZINC000065526105 563961765 /nfs/dbraw/zinc/96/17/65/563961765.db2.gz ROWSEBVEBRZIPT-AWEZNQCLSA-N 1 0 334.423 4.264 50 0 EIAARO C[C@H](c1ccc(-c2nccn2-c2ccc3nccnc3c2)cc1)[NH+](C)C ZINC000071755205 563965278 /nfs/dbraw/zinc/96/52/78/563965278.db2.gz LIFHMFQXRQLNBS-OAHLLOKOSA-N 1 0 343.434 4.105 50 0 EIAARO C[NH+](C)CC[C@H]1CCCCN1Cc1ccc(F)c(C(F)(F)F)c1 ZINC000072159408 563966298 /nfs/dbraw/zinc/96/62/98/563966298.db2.gz ZRZQHJBXCHSSLF-CQSZACIVSA-N 1 0 332.385 4.151 50 0 EIAARO Cc1ncc([C@H](C)[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 ZINC000097016667 563966758 /nfs/dbraw/zinc/96/67/58/563966758.db2.gz LOSCESVVOJVBIJ-SGTLLEGYSA-N 1 0 347.409 4.423 50 0 EIAARO CC(C)(C)[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1F ZINC000097017304 563966797 /nfs/dbraw/zinc/96/67/97/563966797.db2.gz YYYDTODYKOXIQK-QGZVFWFLSA-N 1 0 346.412 4.371 50 0 EIAARO c1ccc2sc([C@@H]3CCC[N@H+]3Cc3cccc4nonc43)nc2c1 ZINC000077320049 563968921 /nfs/dbraw/zinc/96/89/21/563968921.db2.gz RIGZUVYMMRKONX-HNNXBMFYSA-N 1 0 336.420 4.170 50 0 EIAARO Cc1c2ccccc2[nH]c1C[N@H+]1CCCC[C@@H]1CCc1nccn1C ZINC000077322141 563968958 /nfs/dbraw/zinc/96/89/58/563968958.db2.gz JBDJHUWPHOPABY-QGZVFWFLSA-N 1 0 336.483 4.197 50 0 EIAARO Cc1ncsc1CC[NH2+][C@H](C)c1ccccc1Br ZINC000097032978 563971202 /nfs/dbraw/zinc/97/12/02/563971202.db2.gz UPYRDHOPKFVKSS-SNVBAGLBSA-N 1 0 325.275 4.107 50 0 EIAARO C[C@@H](Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000097037130 563971367 /nfs/dbraw/zinc/97/13/67/563971367.db2.gz JJCCIMQMVZPTNK-VOIUYBSRSA-N 1 0 342.508 4.193 50 0 EIAARO C[NH+](C)[C@H]1CCCCN(C(=O)c2cccc(-c3cccc(F)c3)c2)C1 ZINC000082139238 563972677 /nfs/dbraw/zinc/97/26/77/563972677.db2.gz WQKZMFHSQCFWPA-FQEVSTJZSA-N 1 0 340.442 4.049 50 0 EIAARO Cc1cccc(C)c1NC(=S)N1CCC([N@@H+](C)CCC(C)C)CC1 ZINC000000261595 563989674 /nfs/dbraw/zinc/98/96/74/563989674.db2.gz MGZOHJXBBVTXFT-UHFFFAOYSA-N 1 0 347.572 4.443 50 0 EIAARO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000225549322 563991309 /nfs/dbraw/zinc/99/13/09/563991309.db2.gz BAXFOZYYYZSFLH-GJZGRUSLSA-N 1 0 335.473 4.100 50 0 EIAARO CCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000348388 563991487 /nfs/dbraw/zinc/99/14/87/563991487.db2.gz WUCDVUYSHKJRHY-FCHUYYIVSA-N 1 0 339.479 4.388 50 0 EIAARO Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCc1ccccc1 ZINC000061002742 563992269 /nfs/dbraw/zinc/99/22/69/563992269.db2.gz WHBVYMASLNFQOQ-UHFFFAOYSA-N 1 0 339.870 4.226 50 0 EIAARO CCc1nc([C@H](C)[N@H+](C)CC2(O)CCCC2)oc1-c1ccccc1 ZINC000152007116 564004969 /nfs/dbraw/zinc/00/49/69/564004969.db2.gz FBQVSQGVCAJDHE-HNNXBMFYSA-N 1 0 328.456 4.202 50 0 EIAARO C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000000213910 564012212 /nfs/dbraw/zinc/01/22/12/564012212.db2.gz DGWITJVKJIVNMH-KRWDZBQOSA-N 1 0 326.459 4.183 50 0 EIAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000107058475 564026787 /nfs/dbraw/zinc/02/67/87/564026787.db2.gz FNWJCNKFBWSMCV-XNJGSVPQSA-N 1 0 340.870 4.023 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+][C@H](C)c1ccccc1Cl ZINC000107323716 564026846 /nfs/dbraw/zinc/02/68/46/564026846.db2.gz HTSGLJDFMSEAQY-HBUWYVDXSA-N 1 0 334.891 4.028 50 0 EIAARO O=C(CC[N@@H+]1CCC[C@H]1c1ccsc1)Nc1ccc2c(c1)CCC2 ZINC000048263559 564030340 /nfs/dbraw/zinc/03/03/40/564030340.db2.gz WIXAJBQJHPVRTD-IBGZPJMESA-N 1 0 340.492 4.403 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)CCCc2cccs2)cc1 ZINC000048286158 564030700 /nfs/dbraw/zinc/03/07/00/564030700.db2.gz JTCXSVHQFCLMND-UHFFFAOYSA-N 1 0 344.524 4.229 50 0 EIAARO COc1cc(C[NH2+][C@@H]2CCOc3ccccc32)ccc1OC(C)C ZINC000025357144 564037219 /nfs/dbraw/zinc/03/72/19/564037219.db2.gz WDCVFDQLVPPMKA-QGZVFWFLSA-N 1 0 327.424 4.096 50 0 EIAARO c1cn(CCC[NH2+]Cc2cn(Cc3ccccc3)c3ccccc23)cn1 ZINC000247969742 564052855 /nfs/dbraw/zinc/05/28/55/564052855.db2.gz HFCUQGFVKWYWEM-UHFFFAOYSA-N 1 0 344.462 4.066 50 0 EIAARO C[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000248141396 564053015 /nfs/dbraw/zinc/05/30/15/564053015.db2.gz UHQLTNWLWIUUCD-UHFFFAOYSA-N 1 0 347.249 4.020 50 0 EIAARO CC(C)(C)[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248229202 564053066 /nfs/dbraw/zinc/05/30/66/564053066.db2.gz KFTQEYIJSDJTTR-UHFFFAOYSA-N 1 0 338.430 4.021 50 0 EIAARO CC(C)(C)[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248256615 564053101 /nfs/dbraw/zinc/05/31/01/564053101.db2.gz UVOSTSHSVAUMSY-UHFFFAOYSA-N 1 0 338.430 4.021 50 0 EIAARO CCOc1cc(C[NH2+][C@@H]2CCOc3ccccc32)cc(Cl)c1OC ZINC000025357401 564054237 /nfs/dbraw/zinc/05/42/37/564054237.db2.gz OFAVBWMVKJHYQT-MRXNPFEDSA-N 1 0 347.842 4.361 50 0 EIAARO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c(C)c1 ZINC000025439526 564054388 /nfs/dbraw/zinc/05/43/88/564054388.db2.gz SFWPHDJFEPINOG-HXUWFJFHSA-N 1 0 336.479 4.257 50 0 EIAARO Clc1ccccc1Cn1cc[n+](COCCCc2ccccc2)c1 ZINC000261492820 564056159 /nfs/dbraw/zinc/05/61/59/564056159.db2.gz GQPKVSLULQYPTL-UHFFFAOYSA-N 1 0 341.862 4.084 50 0 EIAARO C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000005954495 564057289 /nfs/dbraw/zinc/05/72/89/564057289.db2.gz FVGFBPCNUYQRDN-GCJKJVERSA-N 1 0 347.458 4.444 50 0 EIAARO CCN(c1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1)C(C)C ZINC000012555693 564059326 /nfs/dbraw/zinc/05/93/26/564059326.db2.gz YGXBLMWCBGGNJB-UHFFFAOYSA-N 1 0 339.483 4.235 50 0 EIAARO CC(C)(C)C[C@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cccnc1 ZINC000534585417 564061149 /nfs/dbraw/zinc/06/11/49/564061149.db2.gz GQUZRGKGNMDMLV-FQEVSTJZSA-N 1 0 341.499 4.406 50 0 EIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C2CC2)cc1F ZINC000012677182 564062591 /nfs/dbraw/zinc/06/25/91/564062591.db2.gz XASDZBQTQPURDC-AUUYWEPGSA-N 1 0 326.415 4.202 50 0 EIAARO COc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3c3ccccc3)o2)cc1 ZINC000083952371 564065061 /nfs/dbraw/zinc/06/50/61/564065061.db2.gz GLEQIANVIWZKDF-SFHVURJKSA-N 1 0 335.407 4.082 50 0 EIAARO O=C(Nc1cnc2ccccc2c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012754834 564067192 /nfs/dbraw/zinc/06/71/92/564067192.db2.gz RRFPNSRRLDUASZ-UHFFFAOYSA-N 1 0 345.446 4.473 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000012779497 564069785 /nfs/dbraw/zinc/06/97/85/564069785.db2.gz OMOSVTPCIKDKSI-GOSISDBHSA-N 1 0 348.849 4.292 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1csc2ccccc21 ZINC000085313456 564072655 /nfs/dbraw/zinc/07/26/55/564072655.db2.gz GIJUIGHJKVNOFQ-MCMMXHMISA-N 1 0 329.490 4.490 50 0 EIAARO C[NH+](C)CCN(C(=O)c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000063829510 564079612 /nfs/dbraw/zinc/07/96/12/564079612.db2.gz KHOYUYUWZDGVTD-UHFFFAOYSA-N 1 0 342.508 4.225 50 0 EIAARO c1nc(-c2cnccn2)sc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000088701893 564079726 /nfs/dbraw/zinc/07/97/26/564079726.db2.gz WQKHEHUCANKAQF-GOSISDBHSA-N 1 0 336.464 4.231 50 0 EIAARO O=C1CCCN1Cc1ccc(C[NH2+]CC2CCCCCCC2)cc1 ZINC000075093169 564079991 /nfs/dbraw/zinc/07/99/91/564079991.db2.gz ZTRPXLLAJDHFLV-UHFFFAOYSA-N 1 0 328.500 4.259 50 0 EIAARO Cc1ccccc1C(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575621078 564083959 /nfs/dbraw/zinc/08/39/59/564083959.db2.gz NMCNBGXNTDSPAO-GOSISDBHSA-N 1 0 338.476 4.242 50 0 EIAARO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000013007178 564086429 /nfs/dbraw/zinc/08/64/29/564086429.db2.gz PHHFWMHLJCSKPL-UHFFFAOYSA-N 1 0 348.490 4.366 50 0 EIAARO CCCCn1c2ccccc2nc1NCc1nc2ccccc2n1C ZINC000001793028 564087708 /nfs/dbraw/zinc/08/77/08/564087708.db2.gz PQTJWXKIIHMDGW-UHFFFAOYSA-N 1 0 333.439 4.335 50 0 EIAARO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)c1 ZINC000245605291 564088760 /nfs/dbraw/zinc/08/87/60/564088760.db2.gz QUEQOOMYXCPJLE-VZAMPYOESA-N 1 0 326.278 4.446 50 0 EIAARO CC(C)(C)n1ncc2c1CCC[C@H]2[NH2+]Cc1ccc2ncccc2c1 ZINC000075584155 564089679 /nfs/dbraw/zinc/08/96/79/564089679.db2.gz UGONRJAKCQVJCX-LJQANCHMSA-N 1 0 334.467 4.354 50 0 EIAARO c1ccc(CC2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000006669663 564095694 /nfs/dbraw/zinc/09/56/94/564095694.db2.gz FFZPXCRTIQMJEO-UHFFFAOYSA-N 1 0 333.435 4.191 50 0 EIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)COCc2ccccc2)s1 ZINC000036100931 564096124 /nfs/dbraw/zinc/09/61/24/564096124.db2.gz PMLMEUIFXRGTIW-IBGZPJMESA-N 1 0 347.524 4.092 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169679066 564098100 /nfs/dbraw/zinc/09/81/00/564098100.db2.gz XAGKLLZFZIPBBI-DENIHFKCSA-N 1 0 341.495 4.173 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COc1ccccc1 ZINC000169678012 564098171 /nfs/dbraw/zinc/09/81/71/564098171.db2.gz BCEFFUNBHPCBGO-NVXWUHKLSA-N 1 0 333.497 4.097 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c(C)c1 ZINC000006877206 564100384 /nfs/dbraw/zinc/10/03/84/564100384.db2.gz PPFMPZSSRKOBLM-UHFFFAOYSA-N 1 0 343.515 4.279 50 0 EIAARO C[N@H+](CCCn1c2ccccc2oc1=O)Cc1ccc2ccccc2c1 ZINC000065500393 564106568 /nfs/dbraw/zinc/10/65/68/564106568.db2.gz OXUFKBPPCQZWPZ-UHFFFAOYSA-N 1 0 346.430 4.270 50 0 EIAARO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000065595800 564108069 /nfs/dbraw/zinc/10/80/69/564108069.db2.gz FPIHCOYPTPBNFS-UHFFFAOYSA-N 1 0 348.446 4.244 50 0 EIAARO Cc1cccc(OC2CC[NH+](C3CC(c4ccccc4F)C3)CC2)n1 ZINC000170595430 564109061 /nfs/dbraw/zinc/10/90/61/564109061.db2.gz ZSOGXRQHRBODAL-UHFFFAOYSA-N 1 0 340.442 4.319 50 0 EIAARO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000170601624 564109331 /nfs/dbraw/zinc/10/93/31/564109331.db2.gz AZNDSWXVZQQKBH-OXJNMPFZSA-N 1 0 346.434 4.247 50 0 EIAARO CC[C@H](C)C[N@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000170625047 564110389 /nfs/dbraw/zinc/11/03/89/564110389.db2.gz BZFZSTHBWTXYTB-ZDUSSCGKSA-N 1 0 341.480 4.130 50 0 EIAARO Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000089827823 564114075 /nfs/dbraw/zinc/11/40/75/564114075.db2.gz AOIWXGOTERAUCY-LAUBAEHRSA-N 1 0 336.410 4.241 50 0 EIAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000076056374 564115068 /nfs/dbraw/zinc/11/50/68/564115068.db2.gz FNWJCNKFBWSMCV-DCGLDWPTSA-N 1 0 340.870 4.023 50 0 EIAARO CCOC(=O)c1c(C[N@H+](C)[C@@H]2CCC[C@@H]2SC)oc2ccccc21 ZINC000076089746 564115616 /nfs/dbraw/zinc/11/56/16/564115616.db2.gz HCEUSORQMVIKQK-PBHICJAKSA-N 1 0 347.480 4.325 50 0 EIAARO Cc1cc(C(C)(C)C)ccc1OCCOCC[N@H+]1CCC[C@@H](C)C1 ZINC000002823941 564117014 /nfs/dbraw/zinc/11/70/14/564117014.db2.gz ROWMGARRALLJRX-QGZVFWFLSA-N 1 0 333.516 4.420 50 0 EIAARO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CSC(F)F)o2)C12CCC2 ZINC000236890795 564117698 /nfs/dbraw/zinc/11/76/98/564117698.db2.gz YWMPIMYNRMSNPP-UONOGXRCSA-N 1 0 331.428 4.173 50 0 EIAARO C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237645635 564117760 /nfs/dbraw/zinc/11/77/60/564117760.db2.gz TWCYVCOKCSXSIR-MEDUHNTESA-N 1 0 337.250 4.261 50 0 EIAARO Fc1cccnc1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000170687013 564121503 /nfs/dbraw/zinc/12/15/03/564121503.db2.gz QLQFRVFUOVPDGT-UHFFFAOYSA-N 1 0 345.421 4.113 50 0 EIAARO C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1cccc(O)c1 ZINC000194924098 564122572 /nfs/dbraw/zinc/12/25/72/564122572.db2.gz MRAPMCBEUCQZTH-CQSZACIVSA-N 1 0 339.464 4.194 50 0 EIAARO O[C@@H](C[C@H]1CCCCCN1Cc1ncc(C2CC2)o1)c1ccco1 ZINC000253416130 564130742 /nfs/dbraw/zinc/13/07/42/564130742.db2.gz WJVHRCCVMUSQPT-CVEARBPZSA-N 1 0 330.428 4.013 50 0 EIAARO CC1CC[NH+](Cc2ccc(NC(=O)C[C@H](O)CC(C)(C)C)cc2)CC1 ZINC000253431820 564131858 /nfs/dbraw/zinc/13/18/58/564131858.db2.gz UDYBVQQXIHJJMC-IBGZPJMESA-N 1 0 346.515 4.044 50 0 EIAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCCCCC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012883339 564135704 /nfs/dbraw/zinc/13/57/04/564135704.db2.gz TXVCKPLAKGEHSN-SHJAMOMRSA-N 1 0 331.500 4.321 50 0 biogenic EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccsc1 ZINC000013011173 564135896 /nfs/dbraw/zinc/13/58/96/564135896.db2.gz YZZDDKOIMRIFCI-CQSZACIVSA-N 1 0 343.279 4.088 50 0 EIAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000013068714 564135939 /nfs/dbraw/zinc/13/59/39/564135939.db2.gz ZKECQDSQCJMSJV-CHWSQXEVSA-N 1 0 341.282 4.444 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cc2cccs2)cc1NC(C)=O ZINC000095968548 564143211 /nfs/dbraw/zinc/14/32/11/564143211.db2.gz RUMQEPFCFYFTMR-ZIAGYGMSSA-N 1 0 346.496 4.245 50 0 EIAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000095969031 564143313 /nfs/dbraw/zinc/14/33/13/564143313.db2.gz RUCICVQYYCWHHY-CBYNUYRLSA-N 1 0 345.455 4.018 50 0 EIAARO Cc1noc(C)c1CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281261531 564143326 /nfs/dbraw/zinc/14/33/26/564143326.db2.gz OPLXXFDZBWFQAC-NSHDSACASA-N 1 0 326.362 4.074 50 0 EIAARO Cc1ccc2ncc(C[NH2+][C@H]3CCCOc4cc(Cl)ccc43)n2c1 ZINC000095989231 564144114 /nfs/dbraw/zinc/14/41/14/564144114.db2.gz DHMUFGJUTCXJKS-KRWDZBQOSA-N 1 0 341.842 4.300 50 0 EIAARO C[NH+](C)CCO[C@@H](c1ccccc1)c1ccccc1Br ZINC000096026459 564144902 /nfs/dbraw/zinc/14/49/02/564144902.db2.gz DCMSLAQPTQXLDH-KRWDZBQOSA-N 1 0 334.257 4.117 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+][C@H](C)Cc3c(C)noc3C)oc21 ZINC000096493401 564148744 /nfs/dbraw/zinc/14/87/44/564148744.db2.gz RMBHCHRJRQYDGM-YPMHNXCESA-N 1 0 328.412 4.328 50 0 EIAARO COc1ccc([C@@](O)(CC[NH+]2CCCCC2)C2CCCCC2)cc1 ZINC000003067475 564154919 /nfs/dbraw/zinc/15/49/19/564154919.db2.gz FLQKREVCPVXWBI-OAQYLSRUSA-N 1 0 331.500 4.339 50 0 EIAARO CCc1cccc(CC)c1NC(=O)C[NH2+][C@H](C)c1ccccc1OC ZINC000057870851 564156328 /nfs/dbraw/zinc/15/63/28/564156328.db2.gz WAITZZGIUHKLHE-OAHLLOKOSA-N 1 0 340.467 4.109 50 0 EIAARO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]Cc1nc(C)sc1C ZINC000353552965 564156969 /nfs/dbraw/zinc/15/69/69/564156969.db2.gz ABOGEGXZIVDQQA-ZHALLVOQSA-N 1 0 330.497 4.201 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+]([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000058012650 564157216 /nfs/dbraw/zinc/15/72/16/564157216.db2.gz VXGAVIRQFRIIMO-HLIPFELVSA-N 1 0 328.500 4.155 50 0 EIAARO Cc1c2ccccc2sc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000058151196 564157832 /nfs/dbraw/zinc/15/78/32/564157832.db2.gz CWWDPHPGOKEQSE-UHFFFAOYSA-N 1 0 338.476 4.418 50 0 EIAARO CC1(C)C[C@@H]([NH2+][C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 ZINC000032124141 564160929 /nfs/dbraw/zinc/16/09/29/564160929.db2.gz UNXPLMJNVBBABN-PXNSSMCTSA-N 1 0 339.435 4.052 50 0 biogenic EIAARO CCC(C)(C)[NH2+][C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 ZINC000008132464 564163014 /nfs/dbraw/zinc/16/30/14/564163014.db2.gz KDJQXSULVABSQQ-LJQANCHMSA-N 1 0 340.467 4.462 50 0 EIAARO C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000008318356 564164315 /nfs/dbraw/zinc/16/43/15/564164315.db2.gz VRGKGXPDPUJAKH-NSHDSACASA-N 1 0 348.796 4.418 50 0 EIAARO C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000008318359 564164320 /nfs/dbraw/zinc/16/43/20/564164320.db2.gz VRGKGXPDPUJAKH-LLVKDONJSA-N 1 0 348.796 4.418 50 0 EIAARO C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CCSc2ccccc21 ZINC000008728524 564167030 /nfs/dbraw/zinc/16/70/30/564167030.db2.gz CMXRZRFRIQCFQP-WMLDXEAASA-N 1 0 326.465 4.230 50 0 EIAARO O=C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1cc(Cl)cc(Cl)c1 ZINC000245237852 564168815 /nfs/dbraw/zinc/16/88/15/564168815.db2.gz ZKECQDSQCJMSJV-OLZOCXBDSA-N 1 0 341.282 4.444 50 0 EIAARO Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000069744492 564171976 /nfs/dbraw/zinc/17/19/76/564171976.db2.gz JAOOTKNIFOSERW-UHFFFAOYSA-N 1 0 335.451 4.028 50 0 EIAARO CCOCc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000042227119 564174760 /nfs/dbraw/zinc/17/47/60/564174760.db2.gz PUEHKUPWZJDFHX-UHFFFAOYSA-N 1 0 339.414 4.042 50 0 EIAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000042903265 564175686 /nfs/dbraw/zinc/17/56/86/564175686.db2.gz CWQPKWUYGVNYPP-UHFFFAOYSA-N 1 0 340.430 4.351 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000106075172 568417705 /nfs/dbraw/zinc/41/77/05/568417705.db2.gz GDZVJUURFDGLOS-KBAYOESNSA-N 1 0 332.513 4.066 50 0 EIAARO CCCOc1ccc([C@@H](O)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000002250657 568422365 /nfs/dbraw/zinc/42/23/65/568422365.db2.gz ZQANJCYEINMFHT-NHCUHLMSSA-N 1 0 325.452 4.346 50 0 EIAARO CC[NH+](CC)[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000023374027 1021402397 /nfs/dbraw/zinc/40/23/97/1021402397.db2.gz CEWHECCTAGHYFT-KRWDZBQOSA-N 1 0 347.890 4.220 50 0 EIAARO O=C(C1CC[NH+](Cc2cccc(-c3ccccc3)c2)CC1)N1CCCC1 ZINC000122503476 1021644358 /nfs/dbraw/zinc/64/43/58/1021644358.db2.gz SHOSZGDQOILKOH-UHFFFAOYSA-N 1 0 348.490 4.188 50 0 EIAARO CCCn1c(C)c[nH+]c1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000581816833 1021884641 /nfs/dbraw/zinc/88/46/41/1021884641.db2.gz HFZVBFCGPSMTOR-UHFFFAOYSA-N 1 0 345.531 4.353 50 0 EIAARO Cc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1Oc1cccnc1 ZINC000160634732 1022500012 /nfs/dbraw/zinc/50/00/12/1022500012.db2.gz FMOKZABZAXJOTR-QGZVFWFLSA-N 1 0 326.440 4.230 50 0 EIAARO Cc1ccc(C[N@@H+]2CCCCCCNC(=O)C[C@@H]2c2ccccc2)o1 ZINC000257191998 1022755338 /nfs/dbraw/zinc/75/53/38/1022755338.db2.gz QDKNNVRXOXJJBU-HXUWFJFHSA-N 1 0 340.467 4.212 50 0 EIAARO CCCCc1oc2ccccc2c1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000162587542 1023561310 /nfs/dbraw/zinc/56/13/10/1023561310.db2.gz UWYIFPZYJNNUMT-UHFFFAOYSA-N 1 0 342.483 4.076 50 0 EIAARO C[N@@H+]1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cccnc3)c2)n1 ZINC000019794884 1023643728 /nfs/dbraw/zinc/64/37/28/1023643728.db2.gz LUSSMHQVVDUVTQ-HXUWFJFHSA-N 1 0 332.451 4.096 50 0 EIAARO O=C(C1=CCCCC1)N1CCC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019811368 1023645857 /nfs/dbraw/zinc/64/58/57/1023645857.db2.gz UDTUBDYRWYMVMU-RTBURBONSA-N 1 0 344.524 4.061 50 0 EIAARO c1c(C[NH2+]Cc2ccccc2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000005014049 1025195239 /nfs/dbraw/zinc/19/52/39/1025195239.db2.gz HJMOIPLRBPPKKP-UHFFFAOYSA-N 1 0 340.430 4.224 50 0 EIAARO Clc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)s1 ZINC000039371591 1031152456 /nfs/dbraw/zinc/15/24/56/1031152456.db2.gz AERCABCMRDVEAX-GOSISDBHSA-N 1 0 338.948 4.490 50 0 EIAARO COc1ccc([C@H](C)[NH2+]Cc2scnc2C2CC2)c(C)c1OC ZINC000342289125 1031171505 /nfs/dbraw/zinc/17/15/05/1031171505.db2.gz VUMRFQAHTQIVAI-LBPRGKRZSA-N 1 0 332.469 4.197 50 0 EIAARO CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1Br ZINC000023280541 1031338873 /nfs/dbraw/zinc/33/88/73/1031338873.db2.gz QGCBFFQJWJNOSG-CYBMUJFWSA-N 1 0 342.277 4.231 50 0 EIAARO [NH2+]=C(NCCc1cccnc1)Nc1cccc(Oc2ccccc2)c1 ZINC000083036464 1040560311 /nfs/dbraw/zinc/56/03/11/1040560311.db2.gz BDSYQZQMIWZXPR-UHFFFAOYSA-N 1 0 332.407 4.053 50 0 EIAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000032565317 1041578332 /nfs/dbraw/zinc/57/83/32/1041578332.db2.gz WOVBJFPQHKPGPA-SFHVURJKSA-N 1 0 332.532 4.212 50 0 EIAARO O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000152699037 1042947696 /nfs/dbraw/zinc/94/76/96/1042947696.db2.gz MMKLAJDQQMLESF-UYAOXDASSA-N 1 0 326.484 4.077 50 0 EIAARO COc1ccc(C[N@@H+](Cc2ccsc2)C[C@@H]2CCCO2)cc1F ZINC000824721366 1044522047 /nfs/dbraw/zinc/52/20/47/1044522047.db2.gz KHBRFAJEXUFZEO-INIZCTEOSA-N 1 0 335.444 4.077 50 0 EIAARO COc1ccc2c(c1)[C@@H](C)[N@@H+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000824751105 1044526384 /nfs/dbraw/zinc/52/63/84/1044526384.db2.gz PKHKRQXGIDIHCF-CYBMUJFWSA-N 1 0 339.464 4.266 50 0 EIAARO CCc1[nH]c2ccc(C[NH2+]Cc3ccc(F)c(OC)c3)cc2c1C ZINC000012596610 1044946562 /nfs/dbraw/zinc/94/65/62/1044946562.db2.gz GXXPFAWSMMMTSH-UHFFFAOYSA-N 1 0 326.415 4.476 50 0 EIAARO Cc1cnc(-c2ccncc2)n1C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000575547412 1045255707 /nfs/dbraw/zinc/25/57/07/1045255707.db2.gz BLRXGYBZZUCTLK-GOSISDBHSA-N 1 0 338.499 4.298 50 0 EIAARO Cc1cnc(-c2ccccc2)n1CCNC(=O)Nc1ccc(C)c(C)c1 ZINC000575556204 1045261165 /nfs/dbraw/zinc/26/11/65/1045261165.db2.gz HJEKRRMBXJUAKK-UHFFFAOYSA-N 1 0 348.450 4.297 50 0 EIAARO OCC[C@H]1CCCCC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000585081327 1049390016 /nfs/dbraw/zinc/39/00/16/1049390016.db2.gz DQJKMFVEDWXNJU-OAHLLOKOSA-N 1 0 334.460 4.076 50 0 EIAARO CN(CCC[NH+]1CCCCCC1)C(=O)c1ccc(-c2ccco2)cc1 ZINC000952965912 1049683702 /nfs/dbraw/zinc/68/37/02/1049683702.db2.gz SJNMJUQSOVVCRA-UHFFFAOYSA-N 1 0 340.467 4.285 50 0 EIAARO CSc1cccc(CN(Cc2cc(C(C)=O)cn2C)C(C)C)c1 ZINC000952966677 1049685825 /nfs/dbraw/zinc/68/58/25/1049685825.db2.gz IZWLNKAOSNDAJR-UHFFFAOYSA-N 1 0 330.497 4.360 50 0 EIAARO COc1ccc(/C=C/CNCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000952988362 1049690824 /nfs/dbraw/zinc/69/08/24/1049690824.db2.gz NMUXNIFPSOTXFO-BQYQJAHWSA-N 1 0 328.500 4.097 50 0 EIAARO COC[C@@H](C)N(Cc1ccccc1C)Cc1c(F)ccc(OC)c1F ZINC000952991125 1049691294 /nfs/dbraw/zinc/69/12/94/1049691294.db2.gz ZKLNDJMSEGAMBM-OAHLLOKOSA-N 1 0 349.421 4.319 50 0 EIAARO COc1ccccc1-c1ncc(CN(C)[C@@H](C)c2cccnc2)s1 ZINC000952986448 1049692276 /nfs/dbraw/zinc/69/22/76/1049692276.db2.gz YBLZBJIXIAZNFM-AWEZNQCLSA-N 1 0 339.464 4.407 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000581807601 1060018106 /nfs/dbraw/zinc/01/81/06/1060018106.db2.gz KNPOIGSHHIGTEC-GOSISDBHSA-N 1 0 338.455 4.165 50 0 EIAARO COc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc2c1 ZINC000054670003 214249776 /nfs/dbraw/zinc/24/97/76/214249776.db2.gz DGNDDRSTROUEAX-IBGZPJMESA-N 1 0 335.403 4.139 50 0 EIAARO Cc1cc(C)c(C)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000055120396 214275931 /nfs/dbraw/zinc/27/59/31/214275931.db2.gz NDLBWEBBGZDQDR-MRXNPFEDSA-N 1 0 330.497 4.014 50 0 EIAARO CCN(C/C=C/c1ccccc1)C(=O)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000055153984 214280426 /nfs/dbraw/zinc/28/04/26/214280426.db2.gz RYRKAELOCSVUKZ-JEJOPICUSA-N 1 0 340.492 4.348 50 0 EIAARO CS[C@H](C)CC[NH+]1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000055183048 214284109 /nfs/dbraw/zinc/28/41/09/214284109.db2.gz RMYUKTFHYDKMPG-OAHLLOKOSA-N 1 0 336.549 4.104 50 0 EIAARO CSc1cccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000055197063 214287104 /nfs/dbraw/zinc/28/71/04/214287104.db2.gz OYRRUAPTYQETKH-FQEVSTJZSA-N 1 0 330.541 4.106 50 0 EIAARO C[C@H](C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1)c1ccccc1 ZINC000055403556 214320761 /nfs/dbraw/zinc/32/07/61/214320761.db2.gz GYFUQBVSSDYVQI-QGZVFWFLSA-N 1 0 338.499 4.376 50 0 EIAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccccc1F ZINC000004679279 210244397 /nfs/dbraw/zinc/24/43/97/210244397.db2.gz DKHUJUGQVOEQON-UHFFFAOYSA-N 1 0 343.377 4.087 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000004667013 210241396 /nfs/dbraw/zinc/24/13/96/210241396.db2.gz MMIRJOKAHDIIIE-OPYAIIAOSA-N 1 0 339.479 4.071 50 0 EIAARO C[C@H](C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1)c1ccccc1 ZINC000004600387 210230291 /nfs/dbraw/zinc/23/02/91/210230291.db2.gz DMLPBHVBMDDOKI-GOSISDBHSA-N 1 0 342.527 4.341 50 0 EIAARO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COc1ccccc1Cl ZINC000004317319 210169315 /nfs/dbraw/zinc/16/93/15/210169315.db2.gz ZRALWSXXWMBLDO-AWEZNQCLSA-N 1 0 325.880 4.123 50 0 EIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000003588757 210059533 /nfs/dbraw/zinc/05/95/33/210059533.db2.gz ZVIVIJNZRKXJKC-UHFFFAOYSA-N 1 0 333.545 4.197 50 0 EIAARO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044905897 213667754 /nfs/dbraw/zinc/66/77/54/213667754.db2.gz ANCFDGNRCWBZBB-SFHVURJKSA-N 1 0 336.479 4.390 50 0 EIAARO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003322026 210006329 /nfs/dbraw/zinc/00/63/29/210006329.db2.gz JSQYUKKJLJXHJF-ROUUACIJSA-N 1 0 336.479 4.479 50 0 EIAARO Cc1cccc2c(CC[NH2+]Cc3nc(-c4ccccc4C)no3)c[nH]c21 ZINC000067561590 215161889 /nfs/dbraw/zinc/16/18/89/215161889.db2.gz PDJSJCTYLMEWGX-UHFFFAOYSA-N 1 0 346.434 4.167 50 0 EIAARO CCc1c[nH]nc1C1CC[NH+](Cc2c(C)ccc3ncccc32)CC1 ZINC000067713736 215194036 /nfs/dbraw/zinc/19/40/36/215194036.db2.gz UMIVZIUNRPNVPV-UHFFFAOYSA-N 1 0 334.467 4.208 50 0 EIAARO CCCOCCN1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067726487 215195755 /nfs/dbraw/zinc/19/57/55/215195755.db2.gz JDUGMHVZAFDMOO-UHFFFAOYSA-N 1 0 347.480 4.050 50 0 EIAARO Cc1cc2c(c(-c3nc4c(C)ccc(F)c4cc3C)c1)O[C@@H](C[NH3+])C2 ZINC000067742538 215201272 /nfs/dbraw/zinc/20/12/72/215201272.db2.gz APADLPRNAKALPF-OAHLLOKOSA-N 1 0 336.410 4.228 50 0 EIAARO COCC(=O)Nc1ccccc1-c1ccc([C@@H](C)[NH+]2CCCC2)cc1 ZINC000067756684 215204073 /nfs/dbraw/zinc/20/40/73/215204073.db2.gz BTDRKCPHYYNZOG-MRXNPFEDSA-N 1 0 338.451 4.095 50 0 EIAARO COc1ccc(Oc2ccc(NC(C)=O)cc2)cc1C[NH+]1CCCC1 ZINC000067834400 215224705 /nfs/dbraw/zinc/22/47/05/215224705.db2.gz MKPOSGCANPAGLX-UHFFFAOYSA-N 1 0 340.423 4.042 50 0 EIAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000067895824 215243204 /nfs/dbraw/zinc/24/32/04/215243204.db2.gz YNJXZYWRRQOUCE-LJQANCHMSA-N 1 0 335.451 4.123 50 0 EIAARO C[NH+](C)Cc1ccccc1Oc1ccc(C(=O)N2CCCCC2)cc1 ZINC000067909758 215248142 /nfs/dbraw/zinc/24/81/42/215248142.db2.gz VJSFOJDQNMMNRX-UHFFFAOYSA-N 1 0 338.451 4.167 50 0 EIAARO CCc1cc(OCCOCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1Cl ZINC000002823025 209923435 /nfs/dbraw/zinc/92/34/35/209923435.db2.gz QRLNFGUEUKAUKK-IYBDPMFKSA-N 1 0 339.907 4.276 50 0 EIAARO CC(C)(C)OC(=O)N1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000040450013 213305510 /nfs/dbraw/zinc/30/55/10/213305510.db2.gz JOLUJGJHYSSPCF-OAQYLSRUSA-N 1 0 344.499 4.300 50 0 EIAARO O=C(CCOc1ccccc1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000040090479 213262370 /nfs/dbraw/zinc/26/23/70/213262370.db2.gz MVXUGLKMQKYCJT-UHFFFAOYSA-N 1 0 338.451 4.080 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(F)ccc1F ZINC000040089044 213261649 /nfs/dbraw/zinc/26/16/49/213261649.db2.gz QJJNKHMHFMJWPE-UHFFFAOYSA-N 1 0 330.378 4.203 50 0 EIAARO O=C1OC[C@@H](C[NH2+]C2CCCCC2)C1(c1ccccc1)c1ccccc1 ZINC000039304780 213234050 /nfs/dbraw/zinc/23/40/50/213234050.db2.gz YFCLRZJYPZKELV-HXUWFJFHSA-N 1 0 349.474 4.068 50 0 EIAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037560227 213156914 /nfs/dbraw/zinc/15/69/14/213156914.db2.gz PUFHNCRAVCTYOY-UHFFFAOYSA-N 1 0 340.442 4.233 50 0 EIAARO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000035335379 213022223 /nfs/dbraw/zinc/02/22/23/213022223.db2.gz IEUBBLOCLWLOKT-CYBMUJFWSA-N 1 0 334.257 4.179 50 0 EIAARO Fc1ccc(-c2ccc(C[NH2+]CCCn3ccnc3)o2)cc1Cl ZINC000035268964 213017425 /nfs/dbraw/zinc/01/74/25/213017425.db2.gz PDXIQCSKFVFUCK-UHFFFAOYSA-N 1 0 333.794 4.116 50 0 EIAARO C[N@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1cccc2ncccc12 ZINC000072129493 216020257 /nfs/dbraw/zinc/02/02/57/216020257.db2.gz ZHJGIGBMRJUWBT-UHFFFAOYSA-N 1 0 334.448 4.318 50 0 EIAARO OCCCC[N@@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072144076 216031166 /nfs/dbraw/zinc/03/11/66/216031166.db2.gz HCEQBEBRLLOVDD-INIZCTEOSA-N 1 0 329.406 4.123 50 0 EIAARO c1ccc(C2(c3ccccc3)C[C@H]2C[NH+]2CC(c3ccccn3)C2)cc1 ZINC000072152883 216040731 /nfs/dbraw/zinc/04/07/31/216040731.db2.gz UXKKMGNGWMFCSX-QFIPXVFZSA-N 1 0 340.470 4.487 50 0 EIAARO Cc1cccc(C[NH+]2CCN(Cc3ccc4cccc(F)c4n3)CC2)c1 ZINC000072167138 216057749 /nfs/dbraw/zinc/05/77/49/216057749.db2.gz CLUQGNPVMLCHQI-UHFFFAOYSA-N 1 0 349.453 4.000 50 0 EIAARO CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-c2ccccn2)cc1 ZINC000072169500 216060778 /nfs/dbraw/zinc/06/07/78/216060778.db2.gz KGXIQENFJBHPFX-NRFANRHFSA-N 1 0 332.451 4.219 50 0 EIAARO CC[N@H+](C)C[C@@H]1CCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000072303459 216142163 /nfs/dbraw/zinc/14/21/63/216142163.db2.gz WDLOGYMLZLZNOB-SCCNAQOGSA-N 1 0 342.527 4.151 50 0 EIAARO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000072354413 216161639 /nfs/dbraw/zinc/16/16/39/216161639.db2.gz ZIFNQLGQOFKWFN-MRXNPFEDSA-N 1 0 334.385 4.467 50 0 EIAARO Cc1cccc([C@@H]2CCC[N@H+](Cc3cnc(-c4ccco4)nc3)C2)c1 ZINC000072412014 216203923 /nfs/dbraw/zinc/20/39/23/216203923.db2.gz RHIJEFZXNNXKET-LJQANCHMSA-N 1 0 333.435 4.425 50 0 EIAARO CC(C)c1ccccc1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000110452 209428084 /nfs/dbraw/zinc/42/80/84/209428084.db2.gz PTNJKVOGKJNFCY-UHFFFAOYSA-N 1 0 333.545 4.406 50 0 EIAARO CC(C)(O)CCc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000072435777 216230882 /nfs/dbraw/zinc/23/08/82/216230882.db2.gz WVMVKRKRMBEVFA-UHFFFAOYSA-N 1 0 338.495 4.165 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027793182 212579341 /nfs/dbraw/zinc/57/93/41/212579341.db2.gz JZXPLEVNMGNKFG-IBGZPJMESA-N 1 0 342.870 4.215 50 0 EIAARO c1ccc(CCC[N@@H+]2CCC[C@@H](Nc3cnc4ccccc4n3)C2)cc1 ZINC000072478647 216257240 /nfs/dbraw/zinc/25/72/40/216257240.db2.gz CSVMCQHIVHGCDN-LJQANCHMSA-N 1 0 346.478 4.139 50 0 EIAARO O=C(Nc1ccc2scnc2c1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000023368437 212371444 /nfs/dbraw/zinc/37/14/44/212371444.db2.gz JUHKAQSZEGWJFB-NSHDSACASA-N 1 0 329.450 4.035 50 0 EIAARO C[N@H+](CCC(=O)N1CCc2ccccc21)Cc1ccc2ccccc2c1 ZINC000022199398 212281109 /nfs/dbraw/zinc/28/11/09/212281109.db2.gz HFNIBUOIGGTGJL-UHFFFAOYSA-N 1 0 344.458 4.251 50 0 EIAARO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000214987329 241100478 /nfs/dbraw/zinc/10/04/78/241100478.db2.gz IWHDWNRHRVHTEF-GOSISDBHSA-N 1 0 339.483 4.121 50 0 EIAARO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000215107712 241105485 /nfs/dbraw/zinc/10/54/85/241105485.db2.gz XNXGMBFRLZTMCV-FQEVSTJZSA-N 1 0 349.478 4.237 50 0 EIAARO C[C@@H](c1ccccn1)N(C)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000215722514 241139043 /nfs/dbraw/zinc/13/90/43/241139043.db2.gz SKMJBBNAOACBJT-INIZCTEOSA-N 1 0 329.513 4.322 50 0 EIAARO Clc1cccc2ccc(CN3CC[NH+](C4CCCCC4)CC3)nc12 ZINC000215444542 241124904 /nfs/dbraw/zinc/12/49/04/241124904.db2.gz RIRDGRLZTSXAOR-UHFFFAOYSA-N 1 0 343.902 4.339 50 0 EIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2CC)cc1OC ZINC000021720952 212243756 /nfs/dbraw/zinc/24/37/56/212243756.db2.gz FITYSZFLZBSASA-MRXNPFEDSA-N 1 0 344.455 4.290 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1C ZINC000021718077 212242690 /nfs/dbraw/zinc/24/26/90/212242690.db2.gz LHBILHQCVXWGFT-UHFFFAOYSA-N 1 0 343.515 4.279 50 0 EIAARO Cc1ccc(-c2ccsc2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000229713942 242191670 /nfs/dbraw/zinc/19/16/70/242191670.db2.gz HAXVMUZEKPPLPJ-ROUUACIJSA-N 1 0 340.492 4.080 50 0 EIAARO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000020919886 212187537 /nfs/dbraw/zinc/18/75/37/212187537.db2.gz ROZVVIDFSRLQBJ-CQSZACIVSA-N 1 0 343.377 4.328 50 0 EIAARO CC[C@](O)(c1ccc(O)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868801 212180546 /nfs/dbraw/zinc/18/05/46/212180546.db2.gz KAYFXOWCCDAIGV-YADHBBJMSA-N 1 0 339.479 4.260 50 0 EIAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000020540124 212146168 /nfs/dbraw/zinc/14/61/68/212146168.db2.gz OPNLVWSRSUFIQG-SFHVURJKSA-N 1 0 339.414 4.408 50 0 EIAARO c1c(C[NH2+]Cc2ccccn2)c2ccccc2n1Cc1ccccc1 ZINC000248109473 243529263 /nfs/dbraw/zinc/52/92/63/243529263.db2.gz MTDGELXWQFMOFF-UHFFFAOYSA-N 1 0 327.431 4.374 50 0 EIAARO Cc1ccc(SCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020500107 212140258 /nfs/dbraw/zinc/14/02/58/212140258.db2.gz FYAGEUWIKIDQSD-UHFFFAOYSA-N 1 0 340.536 4.295 50 0 EIAARO CCOc1cccc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)c1 ZINC000020406985 212125499 /nfs/dbraw/zinc/12/54/99/212125499.db2.gz HSROPUUNMBYMID-HNNXBMFYSA-N 1 0 348.450 4.097 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)[C@H](O)c1ccccc1 ZINC000020312678 212118128 /nfs/dbraw/zinc/11/81/28/212118128.db2.gz LLHIIAUCPXOGKE-VLIAUNLRSA-N 1 0 325.383 4.297 50 0 EIAARO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H](O)c1ccccc1 ZINC000019871863 212077469 /nfs/dbraw/zinc/07/74/69/212077469.db2.gz PYOXLNRAYGCQDI-MBSDFSHPSA-N 1 0 347.458 4.477 50 0 EIAARO Cc1nc(CC[NH+]2CCC(Oc3ccc(C)cc3)CC2)c(C)s1 ZINC000019791243 212068202 /nfs/dbraw/zinc/06/82/02/212068202.db2.gz DXKFPXOIZMKZAB-UHFFFAOYSA-N 1 0 330.497 4.154 50 0 EIAARO COc1ccc2ccccc2c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019635015 212053496 /nfs/dbraw/zinc/05/34/96/212053496.db2.gz DIWDJLXPQLNOOB-UHFFFAOYSA-N 1 0 346.474 4.166 50 0 EIAARO Cc1cccc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000019360243 212021073 /nfs/dbraw/zinc/02/10/73/212021073.db2.gz PSVANIBMLTVJAC-UHFFFAOYSA-N 1 0 348.412 4.332 50 0 EIAARO c1ccc([C@H]([NH2+]Cc2cccnc2)c2ccc3c(c2)CCCO3)cc1 ZINC000078656946 217096618 /nfs/dbraw/zinc/09/66/18/217096618.db2.gz SZWVUYPUUQNMIO-QFIPXVFZSA-N 1 0 330.431 4.286 50 0 EIAARO C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1 ZINC000079000531 217171325 /nfs/dbraw/zinc/17/13/25/217171325.db2.gz DKWCMJGEGLGWDF-QMMMGPOBSA-N 1 0 329.252 4.005 50 0 EIAARO c1nc2ccccc2n1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012525170 211398964 /nfs/dbraw/zinc/39/89/64/211398964.db2.gz UKBUALDTTNSGFN-UHFFFAOYSA-N 1 0 348.475 4.483 50 0 EIAARO CSCCC[N@@H+]1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012432786 211380603 /nfs/dbraw/zinc/38/06/03/211380603.db2.gz VIVXTILINCRPEU-QGZVFWFLSA-N 1 0 335.513 4.122 50 0 EIAARO C/C=C/c1ccc(OC[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c(OC)c1 ZINC000012374329 211359389 /nfs/dbraw/zinc/35/93/89/211359389.db2.gz FPASBUHPYSLGMT-KBOKABMXSA-N 1 0 349.515 4.272 50 0 EIAARO Cc1c(C)n(C[C@@H](O)C[NH+]2CCCCCC2)c2c1cccc2Cl ZINC000012421934 211376394 /nfs/dbraw/zinc/37/63/94/211376394.db2.gz MIAUFAILCWBVSD-INIZCTEOSA-N 1 0 334.891 4.148 50 0 EIAARO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCCC2)c(C(C)(C)C)c1 ZINC000012421491 211376170 /nfs/dbraw/zinc/37/61/70/211376170.db2.gz TUMCWCZQZXIOFD-QGZVFWFLSA-N 1 0 333.516 4.117 50 0 EIAARO CCc1c(N)c2c(C)c(C)n(CC[NH+](C)C)c2nc1-c1ccccc1 ZINC000012390376 211366842 /nfs/dbraw/zinc/36/68/42/211366842.db2.gz WZDMIRCVSVRYOO-UHFFFAOYSA-N 1 0 336.483 4.026 50 0 EIAARO Cc1oc(-c2cccc(C)c2)nc1C[N@H+](CC1CC1)C[C@H]1CCCO1 ZINC000012303392 211339388 /nfs/dbraw/zinc/33/93/88/211339388.db2.gz MINBZJCVMXIZJB-LJQANCHMSA-N 1 0 340.467 4.349 50 0 EIAARO CC[C@@H](C)C[NH+]1CCC2(C[C@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000012200493 211318536 /nfs/dbraw/zinc/31/85/36/211318536.db2.gz HZLYGAAAVCKYAP-QAPCUYQASA-N 1 0 346.540 4.495 50 0 EIAARO O=C(C1CCCC1)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012197110 211317344 /nfs/dbraw/zinc/31/73/44/211317344.db2.gz RLUAJDIJBBENAS-NRFANRHFSA-N 1 0 332.532 4.071 50 0 EIAARO Fc1ccc(/C=C/CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012072535 211286947 /nfs/dbraw/zinc/28/69/47/211286947.db2.gz XIZVMQSCBXHXHT-SGRIQBTBSA-N 1 0 328.475 4.037 50 0 EIAARO Cc1oc(-c2cccs2)nc1C[N@H+](CC1CC1)C[C@@H]1CCCO1 ZINC000012052107 211284805 /nfs/dbraw/zinc/28/48/05/211284805.db2.gz COCLUJQMLGASDH-HNNXBMFYSA-N 1 0 332.469 4.103 50 0 EIAARO c1cc(C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)n(-c2nccs2)c1 ZINC000011938622 211271647 /nfs/dbraw/zinc/27/16/47/211271647.db2.gz HVDVNMUZBSAZHK-QGZVFWFLSA-N 1 0 338.480 4.010 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)c1)c1ccccc1Cl ZINC000011917259 211269684 /nfs/dbraw/zinc/26/96/84/211269684.db2.gz HSCSMHKHFVDULP-LJQANCHMSA-N 1 0 344.886 4.461 50 0 EIAARO C/C=C(\C)C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000011874109 211262285 /nfs/dbraw/zinc/26/22/85/211262285.db2.gz GUBQDVJSYYRPSK-QHKMVGIOSA-N 1 0 341.480 4.179 50 0 EIAARO COc1ccc2[nH]cc([C@H](C[NH3+])c3ccc(C(F)(F)F)cc3)c2c1 ZINC000091690193 218048124 /nfs/dbraw/zinc/04/81/24/218048124.db2.gz HWKKDRSGABSBEN-OAHLLOKOSA-N 1 0 334.341 4.286 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC[C@H]2CCCCO2)cc1C ZINC000011663769 211230971 /nfs/dbraw/zinc/23/09/71/211230971.db2.gz XMWAPFUIXRKGLC-LJQANCHMSA-N 1 0 327.472 4.085 50 0 EIAARO FC(F)(F)c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c1 ZINC000010434612 211173055 /nfs/dbraw/zinc/17/30/55/211173055.db2.gz MTDDKIWXTNQNIX-AWEZNQCLSA-N 1 0 325.330 4.234 50 0 EIAARO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)cc1Cl ZINC000010310983 211161248 /nfs/dbraw/zinc/16/12/48/211161248.db2.gz RNSUTFSTMOQXNR-SFHVURJKSA-N 1 0 328.843 4.424 50 0 EIAARO O=C(c1cccc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095371173 218304291 /nfs/dbraw/zinc/30/42/91/218304291.db2.gz LMLLCMMSOREGRM-UYAOXDASSA-N 1 0 348.490 4.176 50 0 EIAARO Cc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000008862593 211012582 /nfs/dbraw/zinc/01/25/82/211012582.db2.gz HVTXPSVQUJGXOM-KRWDZBQOSA-N 1 0 329.469 4.015 50 0 EIAARO Cc1ncsc1CC[N@@H+](C)[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000095399428 218332884 /nfs/dbraw/zinc/33/28/84/218332884.db2.gz HJCDCQXVHXAZCQ-IBGZPJMESA-N 1 0 341.455 4.250 50 0 EIAARO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1Cn1cccn1 ZINC000095419418 218359386 /nfs/dbraw/zinc/35/93/86/218359386.db2.gz SCIFRFILUMUNJU-HOTGVXAUSA-N 1 0 339.439 4.253 50 0 EIAARO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)o1 ZINC000095419412 218359524 /nfs/dbraw/zinc/35/95/24/218359524.db2.gz NOZQKQSGAGPWKX-CVEARBPZSA-N 1 0 339.439 4.312 50 0 EIAARO c1ccc([C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C2CCCC2)nc1 ZINC000095412275 218349543 /nfs/dbraw/zinc/34/95/43/218349543.db2.gz XGLYUNQKAAWJSI-OAQYLSRUSA-N 1 0 336.483 4.098 50 0 EIAARO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000095419360 218359973 /nfs/dbraw/zinc/35/99/73/218359973.db2.gz XYKWCHDODVTSRF-HUUCEWRRSA-N 1 0 340.423 4.064 50 0 EIAARO Cc1nc(-c2ccc(CC[NH2+][C@H](C)C3CCOCC3)s2)cs1 ZINC000095419565 218359995 /nfs/dbraw/zinc/35/99/95/218359995.db2.gz MUJSKCSQGIMDBN-GFCCVEGCSA-N 1 0 336.526 4.127 50 0 EIAARO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(F)cc(Br)c2)cn1 ZINC000095420663 218362138 /nfs/dbraw/zinc/36/21/38/218362138.db2.gz RIENMJDFVCIWRV-LLVKDONJSA-N 1 0 340.240 4.216 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(-c2ccc3c(c2)CCCO3)cc1)c1cnccn1 ZINC000095421485 218362748 /nfs/dbraw/zinc/36/27/48/218362748.db2.gz JLLFCIRWROXLRM-MRXNPFEDSA-N 1 0 345.446 4.319 50 0 EIAARO O=C1C[C@@H](C[NH2+][C@H]2CCSc3ccc(F)cc32)c2ccccc2N1 ZINC000095423600 218365806 /nfs/dbraw/zinc/36/58/06/218365806.db2.gz QATPZMCCAIZREM-LRDDRELGSA-N 1 0 342.439 4.078 50 0 EIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1F ZINC000007946770 210867682 /nfs/dbraw/zinc/86/76/82/210867682.db2.gz CPICGQMQAMFITE-UHFFFAOYSA-N 1 0 348.849 4.251 50 0 EIAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2nc3ccccc3s2)C1 ZINC000095969035 218473351 /nfs/dbraw/zinc/47/33/51/218473351.db2.gz NVFGKXYPOQYVPS-DKIAMSCKSA-N 1 0 336.526 4.027 50 0 EIAARO Cc1cc(OCCOCC[NH+]2CCC(C)CC2)cc(C)c1Cl ZINC000005101370 210390226 /nfs/dbraw/zinc/39/02/26/210390226.db2.gz ULNWNVWYBNFTFZ-UHFFFAOYSA-N 1 0 325.880 4.084 50 0 EIAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000005094059 210387841 /nfs/dbraw/zinc/38/78/41/210387841.db2.gz JFSBBWZBQIMJGO-FQEVSTJZSA-N 1 0 347.462 4.042 50 0 EIAARO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000097143469 218973201 /nfs/dbraw/zinc/97/32/01/218973201.db2.gz ZBIZWGDBOBWZJX-HUUCEWRRSA-N 1 0 343.515 4.496 50 0 EIAARO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)c(OC)c1C ZINC000004982442 210347830 /nfs/dbraw/zinc/34/78/30/210347830.db2.gz VJGNWMYULLZXJF-GOSISDBHSA-N 1 0 326.440 4.134 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000004952873 210337137 /nfs/dbraw/zinc/33/71/37/210337137.db2.gz MGCVYWPQWZPCNR-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO Cc1cccc(-c2nc(=S)c3c(n2CCC[NH+](C)C)CCCC3)c1 ZINC000004826061 210288949 /nfs/dbraw/zinc/28/89/49/210288949.db2.gz AFWQBRNRQROILG-UHFFFAOYSA-N 1 0 341.524 4.419 50 0 EIAARO CCc1c2ccccc2[nH]c1C(=O)N(C)[C@H](C[NH+](C)C)c1ccccc1 ZINC000097578493 219036749 /nfs/dbraw/zinc/03/67/49/219036749.db2.gz IAKWOOJZAXYUCI-HXUWFJFHSA-N 1 0 349.478 4.105 50 0 EIAARO CC(C)(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299790418 258096302 /nfs/dbraw/zinc/09/63/02/258096302.db2.gz BLKAPJRQYABBAR-BBWFWOEESA-N 1 0 325.456 4.351 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc2ccccc2n1 ZINC000089905146 258066395 /nfs/dbraw/zinc/06/63/95/258066395.db2.gz SWJZHMCQBRRLHF-QGZVFWFLSA-N 1 0 342.446 4.330 50 0 EIAARO O=C(NCCCC[NH+]1CCCC1)Nc1ccc(OC2CCCC2)cc1 ZINC000040120623 262526505 /nfs/dbraw/zinc/52/65/05/262526505.db2.gz BYPPAOVDVZJZDZ-UHFFFAOYSA-N 1 0 345.487 4.006 50 0 EIAARO COCCC[NH2+]CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000003003174 523374107 /nfs/dbraw/zinc/37/41/07/523374107.db2.gz XSWNRULUVLYYDX-UHFFFAOYSA-N 1 0 327.468 4.017 50 0 EIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COC(C)(C)C)s1 ZINC000036101676 524405357 /nfs/dbraw/zinc/40/53/57/524405357.db2.gz PXGKVMFIJDEZIJ-INIZCTEOSA-N 1 0 327.534 4.081 50 0 EIAARO Cc1c(Cl)cccc1NC(=S)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000252457299 525777912 /nfs/dbraw/zinc/77/79/12/525777912.db2.gz WESHCXQQFSZURC-OLZOCXBDSA-N 1 0 339.936 4.198 50 0 EIAARO CC[C@H](C)c1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000042774601 563924925 /nfs/dbraw/zinc/92/49/25/563924925.db2.gz RQPCNPIJJYHKGA-LBPRGKRZSA-N 1 0 326.278 4.341 50 0 EIAARO Cc1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000000241416 563265383 /nfs/dbraw/zinc/26/53/83/563265383.db2.gz ZLTHNSWTHCRXKZ-UHFFFAOYSA-N 1 0 334.385 4.336 50 0 EIAARO CC(C)(C)c1cc(C(=O)NCC[NH+]2CCCC2)cc(C(C)(C)C)c1 ZINC000000383074 563300687 /nfs/dbraw/zinc/30/06/87/563300687.db2.gz JJJAZEISKYWVDO-UHFFFAOYSA-N 1 0 330.516 4.107 50 0 EIAARO CCOC(=O)c1c(C[NH2+]C2CCCCC2)oc2ccc(OC)cc21 ZINC000000553164 563345100 /nfs/dbraw/zinc/34/51/00/563345100.db2.gz QBUJOQZTYZPHKA-UHFFFAOYSA-N 1 0 331.412 4.040 50 0 EIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002164618 563424771 /nfs/dbraw/zinc/42/47/71/563424771.db2.gz QQWVYTCJSIMTRC-LBPRGKRZSA-N 1 0 344.286 4.379 50 0 EIAARO Clc1ccc(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000004981376 563517303 /nfs/dbraw/zinc/51/73/03/563517303.db2.gz PGXGCMIXIGLGBC-HXUWFJFHSA-N 1 0 326.871 4.020 50 0 EIAARO O=C(Nc1cccc(Cl)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006725629 563582734 /nfs/dbraw/zinc/58/27/34/563582734.db2.gz KRQZQYVWQVYWSS-UHFFFAOYSA-N 1 0 343.858 4.126 50 0 EIAARO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)N2c3ccccc3NC2=[NH+]1 ZINC000008741476 563638774 /nfs/dbraw/zinc/63/87/74/563638774.db2.gz DDJLOVIJRNKTOR-LJQANCHMSA-N 1 0 347.418 4.255 50 0 EIAARO CC(C)(C)c1ccc(C(=O)N2CCC(CC[NH+]3CCCC3)CC2)cc1 ZINC000032593853 563662741 /nfs/dbraw/zinc/66/27/41/563662741.db2.gz GOEXZNRVOSYRHS-UHFFFAOYSA-N 1 0 342.527 4.322 50 0 EIAARO Cc1c([C@H](C)[NH2+]Cc2ccccc2)cnn1-c1ccc(F)cc1F ZINC000012703823 563667985 /nfs/dbraw/zinc/66/79/85/563667985.db2.gz GYDKQJNBZQMVSF-ZDUSSCGKSA-N 1 0 327.378 4.310 50 0 EIAARO Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccccc3C)nc(=O)c2c1C ZINC000014138892 563744354 /nfs/dbraw/zinc/74/43/54/563744354.db2.gz CAGLAWAIGCWEGX-QWHCGFSZSA-N 1 0 341.480 4.322 50 0 EIAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccccc3C)nc(=O)c2c1C ZINC000014138895 563744903 /nfs/dbraw/zinc/74/49/03/563744903.db2.gz CAGLAWAIGCWEGX-OLZOCXBDSA-N 1 0 341.480 4.322 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccccc1 ZINC000014182296 563747746 /nfs/dbraw/zinc/74/77/46/563747746.db2.gz SSSMOWIQSNNNDT-JOCHJYFZSA-N 1 0 344.458 4.386 50 0 EIAARO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c2ccccc12 ZINC000019633181 563856250 /nfs/dbraw/zinc/85/62/50/563856250.db2.gz UKTGPJZPPUPWJN-UHFFFAOYSA-N 1 0 332.447 4.171 50 0 EIAARO C[NH+](C)Cc1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl ZINC000024809846 563876054 /nfs/dbraw/zinc/87/60/54/563876054.db2.gz QQZBTUCCKRVPQK-UHFFFAOYSA-N 1 0 337.250 4.236 50 0 EIAARO CC[NH+](CC)Cc1cccc(NC(=O)c2cn(C)c3ccccc23)c1 ZINC000024926282 563877559 /nfs/dbraw/zinc/87/75/59/563877559.db2.gz YJCRRNVHOCWNTM-UHFFFAOYSA-N 1 0 335.451 4.272 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2c(s1)CCCCC2)c1ccsc1 ZINC000025330315 563883210 /nfs/dbraw/zinc/88/32/10/563883210.db2.gz BNNAOHCKXWDBOK-HNNXBMFYSA-N 1 0 348.537 4.111 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 ZINC000025364276 563883937 /nfs/dbraw/zinc/88/39/37/563883937.db2.gz QUUFWPLNBGGLTE-CYBMUJFWSA-N 1 0 346.356 4.137 50 0 EIAARO CCC[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000025562299 563886013 /nfs/dbraw/zinc/88/60/13/563886013.db2.gz JUSYZCSBLWQLDA-DLBZAZTESA-N 1 0 330.497 4.051 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1c(F)cccc1F ZINC000027142473 563894878 /nfs/dbraw/zinc/89/48/78/563894878.db2.gz VUZNRTPESQIWRM-UHFFFAOYSA-N 1 0 330.378 4.203 50 0 EIAARO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)s1 ZINC000027223030 563895012 /nfs/dbraw/zinc/89/50/12/563895012.db2.gz XGWVQVAFVCAZSA-LJQANCHMSA-N 1 0 337.492 4.469 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027581705 563896885 /nfs/dbraw/zinc/89/68/85/563896885.db2.gz KQHFVPLGTLGQAM-OAQYLSRUSA-N 1 0 336.479 4.260 50 0 EIAARO Cc1ccc(-c2c[n+](-c3ccc4c(c3)OCO4)c3n2CCCCC3)cc1 ZINC000027788674 563899533 /nfs/dbraw/zinc/89/95/33/563899533.db2.gz ZAPNFQCZGMOHGO-UHFFFAOYSA-N 1 0 347.438 4.195 50 0 EIAARO c1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000030545236 563909971 /nfs/dbraw/zinc/90/99/71/563909971.db2.gz ZJJSGEYAJNUMOP-NRFANRHFSA-N 1 0 346.430 4.274 50 0 EIAARO CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccccc1OC(F)F ZINC000030904745 563911650 /nfs/dbraw/zinc/91/16/50/563911650.db2.gz HPENNPCVIRNKFG-QGZVFWFLSA-N 1 0 348.393 4.487 50 0 EIAARO CCSCC[C@H](C)[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072305340 563914566 /nfs/dbraw/zinc/91/45/66/563914566.db2.gz VSPYRXCJWRUCSS-HNNXBMFYSA-N 1 0 344.565 4.097 50 0 EIAARO CC1=C(CC[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(C)(C)CCC1 ZINC000022023244 563918412 /nfs/dbraw/zinc/91/84/12/563918412.db2.gz TWFDXIWDJAWJAK-MSOLQXFVSA-N 1 0 340.511 4.184 50 0 EIAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000048441271 563930488 /nfs/dbraw/zinc/93/04/88/563930488.db2.gz DGHDQSCGOAHSQJ-INIZCTEOSA-N 1 0 339.483 4.011 50 0 EIAARO C[C@@H]([NH2+]CCSc1ccccc1F)c1ccc([S@@](C)=O)cc1 ZINC000095422371 563935164 /nfs/dbraw/zinc/93/51/64/563935164.db2.gz FPUVJCGXPANCRG-DMZKTXOQSA-N 1 0 337.485 4.006 50 0 EIAARO CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ccccc3)c2)CC1 ZINC000058245108 563940640 /nfs/dbraw/zinc/94/06/40/563940640.db2.gz NEUUSMPODCEJJB-UHFFFAOYSA-N 1 0 337.467 4.240 50 0 EIAARO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)Nc1ccccc1Cl ZINC000058394250 563944874 /nfs/dbraw/zinc/94/48/74/563944874.db2.gz SIJOSOHXFQZGOU-INIZCTEOSA-N 1 0 328.843 4.158 50 0 EIAARO CN(C(=O)c1cccc2ccccc21)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000060106926 563949660 /nfs/dbraw/zinc/94/96/60/563949660.db2.gz IOZFSRPRHQEEJI-IBGZPJMESA-N 1 0 336.479 4.319 50 0 EIAARO CC[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1F ZINC000096415078 563951103 /nfs/dbraw/zinc/95/11/03/563951103.db2.gz QTGBMCXMJQYULT-MEDUHNTESA-N 1 0 346.377 4.098 50 0 EIAARO Clc1ccc(-c2csc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000096484319 563955364 /nfs/dbraw/zinc/95/53/64/563955364.db2.gz FKLACJKOWPDBLI-HZPDHXFCSA-N 1 0 347.915 4.180 50 0 EIAARO Cc1ccc(-c2c(-c3ccccc3)ncn2[C@@H]2C[NH+]3CCC2CC3)o1 ZINC000065370637 563958382 /nfs/dbraw/zinc/95/83/82/563958382.db2.gz WSOQWXNXXCVECJ-GOSISDBHSA-N 1 0 333.435 4.385 50 0 EIAARO O=C(NCC1=CCC[N@H+](CCC2CCCCC2)C1)c1ccccc1 ZINC000065393931 563959548 /nfs/dbraw/zinc/95/95/48/563959548.db2.gz ZDBPQXRRNTWSDC-UHFFFAOYSA-N 1 0 326.484 4.019 50 0 EIAARO C/C(=C\c1ccccc1)C[N@@H+]1CCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000065398391 563959804 /nfs/dbraw/zinc/95/98/04/563959804.db2.gz WWKWHUZDWBTERO-IDCODDLRSA-N 1 0 346.434 4.372 50 0 EIAARO c1nc(-c2ccccc2)c(COCc2ccccc2)n1C1CC[NH2+]CC1 ZINC000065460217 563961114 /nfs/dbraw/zinc/96/11/14/563961114.db2.gz YSEJZZWJYMSASQ-UHFFFAOYSA-N 1 0 347.462 4.191 50 0 EIAARO Cc1nnc(C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000097110955 563967992 /nfs/dbraw/zinc/96/79/92/563967992.db2.gz IPVUBBHYIFUVFG-UKRRQHHQSA-N 1 0 339.361 4.213 50 0 EIAARO C[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000097165433 563968499 /nfs/dbraw/zinc/96/84/99/563968499.db2.gz SHJOXLLHZVOLMF-OXJNMPFZSA-N 1 0 342.508 4.023 50 0 EIAARO C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc2c(ccc3ccccc23)o1 ZINC000097034659 563971236 /nfs/dbraw/zinc/97/12/36/563971236.db2.gz DUHKCAMTTOUQPZ-VFNWGFHPSA-N 1 0 339.435 4.026 50 0 EIAARO Cc1cc2cccc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCCC3)c2o1 ZINC000082091327 563972035 /nfs/dbraw/zinc/97/20/35/563972035.db2.gz UKEXSNOOTAKRKK-GOSISDBHSA-N 1 0 340.467 4.222 50 0 EIAARO Cc1cc2cccc(C(=O)N3CCC[C@@H](C[NH+]4CCCCC4)C3)c2o1 ZINC000082097734 563972177 /nfs/dbraw/zinc/97/21/77/563972177.db2.gz CMPCLVJPRJJKBB-KRWDZBQOSA-N 1 0 340.467 4.079 50 0 EIAARO O=C(CN1CC[C@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000247425834 563973821 /nfs/dbraw/zinc/97/38/21/563973821.db2.gz SLRLKULDMBMYPI-OLZOCXBDSA-N 1 0 341.282 4.444 50 0 EIAARO CCc1c2ccccc2[nH]c1C(=O)N(C)CCC[NH+]1CCCCCC1 ZINC000097155636 563981367 /nfs/dbraw/zinc/98/13/67/563981367.db2.gz FNUNTEKZFWJPHO-UHFFFAOYSA-N 1 0 341.499 4.068 50 0 EIAARO Fc1ccc([C@@H]2CCN2Cc2ccc(C[NH+]3CCCC3)s2)cc1 ZINC000097814955 563981971 /nfs/dbraw/zinc/98/19/71/563981971.db2.gz FKGQVMVHTWRZLK-IBGZPJMESA-N 1 0 330.472 4.430 50 0 EIAARO C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)c1cncc(F)c1 ZINC000248149333 563995322 /nfs/dbraw/zinc/99/53/22/563995322.db2.gz QNWGPYRIGBWJJF-PMUMKWKESA-N 1 0 333.476 4.016 50 0 EIAARO COc1cc([C@@H](C)[NH2+]CCN2CCCCC2)ccc1SC(F)F ZINC000128276680 563996115 /nfs/dbraw/zinc/99/61/15/563996115.db2.gz LFIHOMMHUZROBY-CYBMUJFWSA-N 1 0 344.471 4.146 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000005446861 564004135 /nfs/dbraw/zinc/00/41/35/564004135.db2.gz LECIWVMMBWBHEY-PXXWCDJASA-N 1 0 349.559 4.233 50 0 EIAARO C[C@@H](Cc1ccccc1F)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000000212522 564012243 /nfs/dbraw/zinc/01/22/43/564012243.db2.gz USSRJIISWXGUKV-KRWDZBQOSA-N 1 0 326.459 4.011 50 0 EIAARO C[C@H](O)C[N@H+](C)CC/C=C1\c2ccccc2CSc2ccccc21 ZINC000104973528 564024464 /nfs/dbraw/zinc/02/44/64/564024464.db2.gz RZTBVIDBPCDVPL-ZVCOJXFSSA-N 1 0 339.504 4.427 50 0 EIAARO Cc1ccc(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044877178 564027272 /nfs/dbraw/zinc/02/72/72/564027272.db2.gz QXRSMEXAGMHOIU-GOSISDBHSA-N 1 0 336.479 4.157 50 0 EIAARO Cc1nccn1-c1ccc(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000048782271 564032215 /nfs/dbraw/zinc/03/22/15/564032215.db2.gz GPUUHDFGGGUUAN-UHFFFAOYSA-N 1 0 347.249 4.172 50 0 EIAARO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2ccc(Cl)s2)cc1 ZINC000048784973 564032271 /nfs/dbraw/zinc/03/22/71/564032271.db2.gz AQDFOHGKZOBQEE-UHFFFAOYSA-N 1 0 337.876 4.221 50 0 EIAARO CCN(CC)CC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247876469 564052787 /nfs/dbraw/zinc/05/27/87/564052787.db2.gz AOOQBALUERVKSG-UHFFFAOYSA-N 1 0 349.522 4.429 50 0 EIAARO CCN1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000249685491 564053173 /nfs/dbraw/zinc/05/31/73/564053173.db2.gz FUSJRYUTNLUVHU-NRFANRHFSA-N 1 0 347.506 4.264 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000025421127 564054326 /nfs/dbraw/zinc/05/43/26/564054326.db2.gz ZNMHWYKYSJSLGU-MRXNPFEDSA-N 1 0 342.439 4.073 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000012530758 564058249 /nfs/dbraw/zinc/05/82/49/564058249.db2.gz ZXMBDRGAYPXLAV-OAHLLOKOSA-N 1 0 349.434 4.007 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000012530761 564058269 /nfs/dbraw/zinc/05/82/69/564058269.db2.gz ZXMBDRGAYPXLAV-HNNXBMFYSA-N 1 0 349.434 4.007 50 0 EIAARO C[C@H]([NH2+]Cc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003284441 564059020 /nfs/dbraw/zinc/05/90/20/564059020.db2.gz UZAQKDSLSVVUPR-VIFPVBQESA-N 1 0 329.252 4.172 50 0 EIAARO O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000120825019 564059675 /nfs/dbraw/zinc/05/96/75/564059675.db2.gz RNEYYKFRRKJQHY-UHFFFAOYSA-N 1 0 333.435 4.019 50 0 EIAARO Oc1cccc2c1CC[C@@H]2[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083455497 564063276 /nfs/dbraw/zinc/06/32/76/564063276.db2.gz XBTXINYRECFQFJ-AWEZNQCLSA-N 1 0 328.462 4.354 50 0 EIAARO c1csc([C@H](CNc2ncnc3sccc32)[NH+]2CCCC2)c1 ZINC000012747942 564065997 /nfs/dbraw/zinc/06/59/97/564065997.db2.gz QIXMDIUHESGGMI-ZDUSSCGKSA-N 1 0 330.482 4.002 50 0 EIAARO O=C(OCC[NH+]1CCCCC1)c1sc2cccc(F)c2c1Cl ZINC000001421415 564066584 /nfs/dbraw/zinc/06/65/84/564066584.db2.gz YLBBASRZJVLERT-UHFFFAOYSA-N 1 0 341.835 4.337 50 0 EIAARO c1ccc(C[NH2+][C@@H]2CCCN(CCCc3nc4ccccc4o3)C2)cc1 ZINC000084539311 564068620 /nfs/dbraw/zinc/06/86/20/564068620.db2.gz CORMOUVZLRXHEH-LJQANCHMSA-N 1 0 349.478 4.015 50 0 EIAARO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1csc2ccccc21 ZINC000085313459 564072672 /nfs/dbraw/zinc/07/26/72/564072672.db2.gz GIJUIGHJKVNOFQ-XMHCIUCPSA-N 1 0 329.490 4.490 50 0 EIAARO FC(F)(F)c1nnc(C2CC[NH+](Cc3ccccc3Cl)CC2)o1 ZINC000075165316 564081007 /nfs/dbraw/zinc/08/10/07/564081007.db2.gz REJWLTODGFGEFH-UHFFFAOYSA-N 1 0 345.752 4.121 50 0 EIAARO CC(C)C[C@@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000075314091 564081825 /nfs/dbraw/zinc/08/18/25/564081825.db2.gz PNCKIKRPDOMCKT-NPYXIHBLSA-N 1 0 349.544 4.150 50 0 EIAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCC1)n2C(C)C ZINC000075330278 564081860 /nfs/dbraw/zinc/08/18/60/564081860.db2.gz XVSQEPPCVJWBQD-UHFFFAOYSA-N 1 0 342.487 4.342 50 0 EIAARO Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000575617222 564083537 /nfs/dbraw/zinc/08/35/37/564083537.db2.gz MURXRTZSKQUFQX-AWEZNQCLSA-N 1 0 339.826 4.085 50 0 EIAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2nc3ccccc3s2)C1 ZINC000221902249 564084258 /nfs/dbraw/zinc/08/42/58/564084258.db2.gz NVFGKXYPOQYVPS-OTSWZTIHSA-N 1 0 336.526 4.027 50 0 EIAARO CCc1ccc([C@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000075572514 564089602 /nfs/dbraw/zinc/08/96/02/564089602.db2.gz REUNPEJSVZDKIZ-HNNXBMFYSA-N 1 0 332.488 4.299 50 0 EIAARO O=c1cc(C[NH2+][C@@H]2CCCc3ccccc32)c2cc3c(cc2o1)CCC3 ZINC000006552450 564091952 /nfs/dbraw/zinc/09/19/52/564091952.db2.gz JDVWASOULQRXKN-OAQYLSRUSA-N 1 0 345.442 4.449 50 0 EIAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3C(C)C)cs2)c1OC ZINC000064517505 564091973 /nfs/dbraw/zinc/09/19/73/564091973.db2.gz MUXWMYIHJYSHML-MRXNPFEDSA-N 1 0 346.496 4.448 50 0 EIAARO C[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(Cl)cc1Cl ZINC000006602164 564092693 /nfs/dbraw/zinc/09/26/93/564092693.db2.gz WIZSQNWCIBHXEW-LBPRGKRZSA-N 1 0 329.271 4.047 50 0 EIAARO COc1cccc(OCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624524 564094611 /nfs/dbraw/zinc/09/46/11/564094611.db2.gz BIJAOTQPTHIZPE-FQEVSTJZSA-N 1 0 326.440 4.086 50 0 biogenic EIAARO COc1ccccc1OCCC[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000006624650 564094629 /nfs/dbraw/zinc/09/46/29/564094629.db2.gz ADUGBERARZJNJN-SFHVURJKSA-N 1 0 326.440 4.086 50 0 biogenic EIAARO O[C@@H](COc1ccc(C[NH2+]CCc2ccccc2)cc1)c1ccccc1 ZINC000006650913 564095428 /nfs/dbraw/zinc/09/54/28/564095428.db2.gz ZCMAHSNEMVOQPI-QHCPKHFHSA-N 1 0 347.458 4.131 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1C ZINC000169681686 564098228 /nfs/dbraw/zinc/09/82/28/564098228.db2.gz CYEWWCOQGVJLTK-PZJWPPBQSA-N 1 0 341.495 4.344 50 0 EIAARO CC[C@H]1c2ccsc2CC[N@H+]1CCCn1c(=O)oc2ccccc21 ZINC000065592127 564107996 /nfs/dbraw/zinc/10/79/96/564107996.db2.gz HXNKWYVGTBECBT-HNNXBMFYSA-N 1 0 342.464 4.056 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cc2ccccc2o1 ZINC000007448011 564108579 /nfs/dbraw/zinc/10/85/79/564108579.db2.gz QKZUWQNMMBMOLN-UHFFFAOYSA-N 1 0 348.446 4.349 50 0 EIAARO CCC[N@H+](Cc1ccc2ncccc2c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000170591375 564108795 /nfs/dbraw/zinc/10/87/95/564108795.db2.gz LAVSSFRRWSDJNX-KRWDZBQOSA-N 1 0 347.462 4.474 50 0 EIAARO Cc1ccc([C@@H](CNc2ncnc3c4ccccc4oc32)[NH+](C)C)cc1 ZINC000170596179 564109109 /nfs/dbraw/zinc/10/91/09/564109109.db2.gz GVIZXJUYNPQQDB-QGZVFWFLSA-N 1 0 346.434 4.399 50 0 EIAARO Cc1ccc([C@H](CNc2ncnc3c4ccccc4oc32)[NH+](C)C)cc1 ZINC000170596181 564109114 /nfs/dbraw/zinc/10/91/14/564109114.db2.gz GVIZXJUYNPQQDB-KRWDZBQOSA-N 1 0 346.434 4.399 50 0 EIAARO O=C(c1cc2ccccc2o1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000071820058 564111248 /nfs/dbraw/zinc/11/12/48/564111248.db2.gz BTEFBNFJDKBVCL-UHFFFAOYSA-N 1 0 340.467 4.161 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 ZINC000016779881 564113348 /nfs/dbraw/zinc/11/33/48/564113348.db2.gz OWPBLRLTNHTYAQ-UHFFFAOYSA-N 1 0 330.859 4.112 50 0 EIAARO CC1(c2ccccc2)CCC([NH2+]CCCOC2CCOCC2)CC1 ZINC000090083624 564116274 /nfs/dbraw/zinc/11/62/74/564116274.db2.gz IBGGKTQMGFCQCS-UHFFFAOYSA-N 1 0 331.500 4.062 50 0 EIAARO CCc1cc(OCCOCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1Cl ZINC000002823026 564116995 /nfs/dbraw/zinc/11/69/95/564116995.db2.gz QRLNFGUEUKAUKK-HOTGVXAUSA-N 1 0 339.907 4.276 50 0 EIAARO C[C@@H]1CCC[N@H+](CCCCOc2cccc(Br)c2)C1 ZINC000002822894 564116996 /nfs/dbraw/zinc/11/69/96/564116996.db2.gz VDONTZRAAXPZEC-CQSZACIVSA-N 1 0 326.278 4.340 50 0 EIAARO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(CSC(F)F)o2)C12CCC2 ZINC000236975029 564117719 /nfs/dbraw/zinc/11/77/19/564117719.db2.gz YWMPIMYNRMSNPP-KGLIPLIRSA-N 1 0 331.428 4.173 50 0 EIAARO c1coc(-c2ncc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCCO3)s2)c1 ZINC000193068546 564118363 /nfs/dbraw/zinc/11/83/63/564118363.db2.gz DIKRGGLHOCNTEH-FUHWJXTLSA-N 1 0 340.448 4.413 50 0 EIAARO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(Cl)cs1 ZINC000194429704 564120510 /nfs/dbraw/zinc/12/05/10/564120510.db2.gz SXRANUOJLBQLQR-YBTHPKLGSA-N 1 0 327.902 4.332 50 0 EIAARO COc1ccccc1C[C@@H](C)[NH2+][C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000170669667 564121289 /nfs/dbraw/zinc/12/12/89/564121289.db2.gz FRCBQYITQVKREN-FOIQADDNSA-N 1 0 337.467 4.489 50 0 EIAARO Cc1cc([C@@H](C)[NH2+]Cc2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)s1 ZINC000194562306 564121673 /nfs/dbraw/zinc/12/16/73/564121673.db2.gz AUGQHSPAQWXROH-SNVBAGLBSA-N 1 0 347.509 4.131 50 0 EIAARO Clc1ccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000000182096 564130177 /nfs/dbraw/zinc/13/01/77/564130177.db2.gz DRLMWJOAQUSBMS-UHFFFAOYSA-N 1 0 330.903 4.287 50 0 EIAARO CC[NH+](CC)Cc1cccc(NC(=O)c2c[nH]c(=O)c3ccccc23)c1 ZINC000253536889 564133045 /nfs/dbraw/zinc/13/30/45/564133045.db2.gz LSJNXYDQRWZNDV-UHFFFAOYSA-N 1 0 349.434 4.035 50 0 EIAARO CC1=C2C[C@@H]3[C@H](C[NH+]4CCC(C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012659876 564135438 /nfs/dbraw/zinc/13/54/38/564135438.db2.gz BBDDLXJVGOEGNB-SHJAMOMRSA-N 1 0 331.500 4.177 50 0 biogenic EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000013011179 564135919 /nfs/dbraw/zinc/13/59/19/564135919.db2.gz ZITFMXDGJYBRNE-AWEZNQCLSA-N 1 0 343.279 4.088 50 0 EIAARO C[C@@H](OC(=O)CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095468922 564141219 /nfs/dbraw/zinc/14/12/19/564141219.db2.gz BWDJRPHDBVRKQY-WIYYLYMNSA-N 1 0 337.463 4.073 50 0 EIAARO Fc1ccc(Br)cc1CSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000095956237 564142557 /nfs/dbraw/zinc/14/25/57/564142557.db2.gz KQYYUANLRDPNOY-STQMWFEESA-N 1 0 343.265 4.092 50 0 EIAARO COc1ccc(CC[NH2+][C@@H]2CC(C)(C)Cc3occc32)cc1OC ZINC000095967074 564143000 /nfs/dbraw/zinc/14/30/00/564143000.db2.gz RAHUIICDHJWCQK-MRXNPFEDSA-N 1 0 329.440 4.143 50 0 EIAARO CS[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000095967916 564143075 /nfs/dbraw/zinc/14/30/75/564143075.db2.gz GCKMXBXQHMDWOJ-PMACEKPBSA-N 1 0 349.540 4.146 50 0 EIAARO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2C2CCCC2)c1Cl ZINC000096006925 564144550 /nfs/dbraw/zinc/14/45/50/564144550.db2.gz SVKLNUQBMASCTP-LBPRGKRZSA-N 1 0 335.801 4.247 50 0 EIAARO C[C@H](Cc1ccccc1)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000096013592 564144782 /nfs/dbraw/zinc/14/47/82/564144782.db2.gz HJTWQVVMOKSKTB-GOSISDBHSA-N 1 0 336.479 4.216 50 0 EIAARO CC(C)[NH+](CCOC(=O)[C@H](c1cccs1)[C@@H]1C=CCC1)C(C)C ZINC000096028073 564145036 /nfs/dbraw/zinc/14/50/36/564145036.db2.gz WQQMRGJZJZVYOZ-AEFFLSMTSA-N 1 0 335.513 4.460 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C/C=C/[C@@](O)(c1ccccc1)c1ccccn1 ZINC000096028194 564145078 /nfs/dbraw/zinc/14/50/78/564145078.db2.gz YOGCIXBRKGGRLY-BSRDEGCASA-N 1 0 336.479 4.137 50 0 EIAARO COCC[C@@H]([NH2+]Cc1c(C)noc1C)c1ccc(Cl)c(Cl)c1 ZINC000284348797 564149019 /nfs/dbraw/zinc/14/90/19/564149019.db2.gz CRUJPHMDZODUHD-MRXNPFEDSA-N 1 0 343.254 4.466 50 0 EIAARO CCc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000002644541 564151772 /nfs/dbraw/zinc/15/17/72/564151772.db2.gz YZFWDYAPPWGHIE-OAQYLSRUSA-N 1 0 349.474 4.274 50 0 EIAARO CCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000002922726 564153075 /nfs/dbraw/zinc/15/30/75/564153075.db2.gz AVOHPWHGCOAMEF-LEWJYISDSA-N 1 0 327.468 4.028 50 0 EIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003060225 564154859 /nfs/dbraw/zinc/15/48/59/564154859.db2.gz ATDBXTIUHHLKRS-ZDUSSCGKSA-N 1 0 339.936 4.232 50 0 EIAARO C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211540 564156019 /nfs/dbraw/zinc/15/60/19/564156019.db2.gz GCGQKWVEEUIHKE-WMLDXEAASA-N 1 0 329.469 4.095 50 0 EIAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCCC2)cc1 ZINC000008211843 564163594 /nfs/dbraw/zinc/16/35/94/564163594.db2.gz LGSSYLGHHBQJGD-UHFFFAOYSA-N 1 0 333.435 4.144 50 0 EIAARO COc1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc(OC)c1OC ZINC000008403007 564165137 /nfs/dbraw/zinc/16/51/37/564165137.db2.gz XQRWVLYBJVRVPB-BRWVUGGUSA-N 1 0 333.472 4.161 50 0 EIAARO CC[N@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(C(C)=O)cc2c1=O ZINC000008571847 564165719 /nfs/dbraw/zinc/16/57/19/564165719.db2.gz SNUJXLVNQXEEPN-UHFFFAOYSA-N 1 0 348.446 4.474 50 0 EIAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717521 564166814 /nfs/dbraw/zinc/16/68/14/564166814.db2.gz UVXOXEXXADIFKD-HNNXBMFYSA-N 1 0 327.472 4.079 50 0 EIAARO CCN(CC)c1ccc2[nH]c(C)c(C[N@@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008717367 564166844 /nfs/dbraw/zinc/16/68/44/564166844.db2.gz GRICOGBHJODKFU-OAHLLOKOSA-N 1 0 341.499 4.469 50 0 EIAARO COc1cccc([C@H](O)C[N@H+](C)Cc2csc3ccccc23)c1 ZINC000172287520 564167512 /nfs/dbraw/zinc/16/75/12/564167512.db2.gz YJXISMYWLCICPN-GOSISDBHSA-N 1 0 327.449 4.075 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCSc3ccccc32)o1 ZINC000042956912 564176031 /nfs/dbraw/zinc/17/60/31/564176031.db2.gz IZEXMNCFHXTVTH-HNNXBMFYSA-N 1 0 325.437 4.305 50 0 EIAARO Cc1ccc(C[N@H+](Cc2cn3c(n2)nc(C)cc3C)C(C)C)s1 ZINC000077482568 564176729 /nfs/dbraw/zinc/17/67/29/564176729.db2.gz VZLJAVJSAAHMFW-UHFFFAOYSA-N 1 0 328.485 4.127 50 0 EIAARO O[C@]12CCCC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000022023018 1020873797 /nfs/dbraw/zinc/87/37/97/1020873797.db2.gz XSKNHOKETLLVAN-VSKRKVRLSA-N 1 0 337.463 4.221 50 0 EIAARO Clc1ccc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)s1 ZINC000023359015 1021364806 /nfs/dbraw/zinc/36/48/06/1021364806.db2.gz LHKNDMKISWHBJM-INIZCTEOSA-N 1 0 346.927 4.123 50 0 EIAARO c1cncc(-c2noc(CC[C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)c1 ZINC000257177965 1022611730 /nfs/dbraw/zinc/61/17/30/1022611730.db2.gz YORIOSYHIMNTDM-INIZCTEOSA-N 1 0 340.471 4.109 50 0 EIAARO Cc1ccsc1C[N@@H+]1CCCCCNC(=O)C[C@@H]1c1ccccc1 ZINC000257179809 1022651193 /nfs/dbraw/zinc/65/11/93/1022651193.db2.gz JNBIOHUBIWABTD-GOSISDBHSA-N 1 0 342.508 4.290 50 0 EIAARO CC[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C)cc1 ZINC000193849904 1022804055 /nfs/dbraw/zinc/80/40/55/1022804055.db2.gz XVEKJVRLBBUAES-GOSISDBHSA-N 1 0 331.504 4.008 50 0 EIAARO CSc1ccccc1C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000014961341 1025504899 /nfs/dbraw/zinc/50/48/99/1025504899.db2.gz ALIXTMNMJWAAER-QGZVFWFLSA-N 1 0 346.540 4.183 50 0 EIAARO Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccnc2)c1 ZINC000015076971 1034103076 /nfs/dbraw/zinc/10/30/76/1034103076.db2.gz HVIATMRXPYHCAK-FQEVSTJZSA-N 1 0 332.451 4.051 50 0 EIAARO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000257181310 1036257816 /nfs/dbraw/zinc/25/78/16/1036257816.db2.gz FMKITUOSJPIVQX-FQEVSTJZSA-N 1 0 338.499 4.471 50 0 EIAARO C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1nc2cc(F)ccc2[nH]1 ZINC000821175218 1043918515 /nfs/dbraw/zinc/91/85/15/1043918515.db2.gz POKNEXAUWQXNKE-ZDUSSCGKSA-N 1 0 336.414 4.294 50 0 EIAARO Cc1cccc(-c2ccc(N3CCC([NH2+]Cc4ccno4)CC3)cc2)c1 ZINC000020534583 1044955485 /nfs/dbraw/zinc/95/54/85/1044955485.db2.gz JCRKSQGINJSFGE-UHFFFAOYSA-N 1 0 347.462 4.409 50 0 EIAARO Cc1nc(CO[C@@H]2CCN(c3cc(C)[nH+]c4ccccc43)C2)cs1 ZINC000377179899 1045271770 /nfs/dbraw/zinc/27/17/70/1045271770.db2.gz PQJSLCMIROGBDE-MRXNPFEDSA-N 1 0 339.464 4.104 50 0 EIAARO CCc1nnc(C2CC[NH+](Cc3c(Cl)oc4ccccc43)CC2)[nH]1 ZINC000682998890 1045561311 /nfs/dbraw/zinc/56/13/11/1045561311.db2.gz DXIQEAHPMQNZTB-UHFFFAOYSA-N 1 0 344.846 4.146 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000581805644 1060013815 /nfs/dbraw/zinc/01/38/15/1060013815.db2.gz DRMIPCOUBIQDBC-HNNXBMFYSA-N 1 0 342.418 4.077 50 0 EIAARO c1sc(-c2ccccc2)nc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052002594 214113262 /nfs/dbraw/zinc/11/32/62/214113262.db2.gz SEMSADLYRRDNHE-UHFFFAOYSA-N 1 0 341.524 4.260 50 0 EIAARO CCOc1ccc2nc(C[N@@H+]3CCCC4(CCOCC4)C3)ccc2c1 ZINC000097681922 219047657 /nfs/dbraw/zinc/04/76/57/219047657.db2.gz YRGKQCQXCITRHJ-UHFFFAOYSA-N 1 0 340.467 4.026 50 0 EIAARO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(-c2cccs2)cc1F ZINC000054174696 214221893 /nfs/dbraw/zinc/22/18/93/214221893.db2.gz GZRRWSNWJRHLDS-QGZVFWFLSA-N 1 0 341.455 4.455 50 0 EIAARO COc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc2c1 ZINC000054670001 214249749 /nfs/dbraw/zinc/24/97/49/214249749.db2.gz DGNDDRSTROUEAX-LJQANCHMSA-N 1 0 335.403 4.139 50 0 EIAARO COc1cccc(C[NH2+]C2CCCC2)c1OCc1ccccc1F ZINC000004700679 210251626 /nfs/dbraw/zinc/25/16/26/210251626.db2.gz YASLMIAPMNAFNY-UHFFFAOYSA-N 1 0 329.415 4.446 50 0 EIAARO COc1ccc2c(C[N@H+]3CC=C(c4ccccc4)CC3)cc(=O)oc2c1 ZINC000055043887 214266366 /nfs/dbraw/zinc/26/63/66/214266366.db2.gz OSDUWIFNRWRJRD-UHFFFAOYSA-N 1 0 347.414 4.091 50 0 biogenic,in-vitro EIAARO CCCCC(=O)Nc1ccc(NC(=O)C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000055244517 214293963 /nfs/dbraw/zinc/29/39/63/214293963.db2.gz WFUIYUPDHXMRGR-MRXNPFEDSA-N 1 0 345.487 4.018 50 0 EIAARO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@@H](C)Cc1cc(C)ccn1 ZINC000055385176 214315948 /nfs/dbraw/zinc/31/59/48/214315948.db2.gz IGFAFWUVQSDLJG-HNNXBMFYSA-N 1 0 328.504 4.021 50 0 EIAARO CC[N@H+](CCc1nc2cc(C)ccc2[nH]1)Cc1ccc(C(C)=O)cc1 ZINC000055360491 214311864 /nfs/dbraw/zinc/31/18/64/214311864.db2.gz AAFYILQBFJXNBI-UHFFFAOYSA-N 1 0 335.451 4.139 50 0 EIAARO CCCCOc1ccc(CNCCC[NH+](CC)CC)cc1OCC ZINC000004686979 210247231 /nfs/dbraw/zinc/24/72/31/210247231.db2.gz HSDGSLLBDKEQAB-UHFFFAOYSA-N 1 0 336.520 4.086 50 0 EIAARO CCOc1ccc(-c2c[nH+]c(NCc3ccccc3F)n2C)cc1 ZINC000004678875 210245172 /nfs/dbraw/zinc/24/51/72/210245172.db2.gz OGNRGMTVRPOWEE-UHFFFAOYSA-N 1 0 325.387 4.237 50 0 EIAARO COc1ccc(-c2c[nH+]c(NCc3ccc(Cl)cc3)n2C)cc1 ZINC000004678676 210244172 /nfs/dbraw/zinc/24/41/72/210244172.db2.gz ZIUUXKHDWSVSAH-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO Clc1ccccc1COc1ccccc1C[NH2+]C[C@@H]1CCCO1 ZINC000004657509 210240194 /nfs/dbraw/zinc/24/01/94/210240194.db2.gz QSMRCCPFFQKYGZ-KRWDZBQOSA-N 1 0 331.843 4.188 50 0 EIAARO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+]C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000004614380 210232554 /nfs/dbraw/zinc/23/25/54/210232554.db2.gz CBTXPJWPSUNNAZ-GSQFEDNKSA-N 1 0 340.511 4.497 50 0 EIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000004555587 210220071 /nfs/dbraw/zinc/22/00/71/210220071.db2.gz HSMCHHYUYAFXIB-HNNXBMFYSA-N 1 0 347.871 4.208 50 0 EIAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1cccc(C)c1 ZINC000004413472 210189600 /nfs/dbraw/zinc/18/96/00/210189600.db2.gz PMOCGFMONYEUSD-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000004159474 210135390 /nfs/dbraw/zinc/13/53/90/210135390.db2.gz BKXIJSTVKQIFLU-URANKQGBSA-N 1 0 349.559 4.235 50 0 EIAARO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[NH+]1CCC(C)CC1 ZINC000004028560 210102717 /nfs/dbraw/zinc/10/27/17/210102717.db2.gz BBDDLXJVGOEGNB-VGUOSERISA-N 1 0 331.500 4.177 50 0 biogenic EIAARO O=c1c(C[NH+]2CCC(Cc3ccccc3)CC2)coc2ccccc21 ZINC000003684202 210073478 /nfs/dbraw/zinc/07/34/78/210073478.db2.gz WZWRAAKVOATXPL-UHFFFAOYSA-N 1 0 333.431 4.248 50 0 in-vivo EIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cccc(C)c2C)CC1 ZINC000003589512 210058667 /nfs/dbraw/zinc/05/86/67/210058667.db2.gz FNCPRPOMNNZOGA-UHFFFAOYSA-N 1 0 333.545 4.197 50 0 EIAARO C[C@H](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000003455887 210044637 /nfs/dbraw/zinc/04/46/37/210044637.db2.gz NAOBXQQJEIURCD-MJGOQNOKSA-N 1 0 340.467 4.117 50 0 EIAARO CCOc1cc(C[NH+]2CCCC2)ccc1Oc1cnc2ccccc2n1 ZINC000067490349 215153998 /nfs/dbraw/zinc/15/39/98/215153998.db2.gz ZPVSXHHUHWKNQT-UHFFFAOYSA-N 1 0 349.434 4.417 50 0 EIAARO Brc1cc(-c2ccccc2)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042774747 213533052 /nfs/dbraw/zinc/53/30/52/213533052.db2.gz ATPAZUVNAOIACA-AWEZNQCLSA-N 1 0 346.268 4.495 50 0 EIAARO C[N@@H+]1CCC=C([C@@H]2CCCCN2C(=O)c2cc3ccccc3s2)C1 ZINC000067677055 215182273 /nfs/dbraw/zinc/18/22/73/215182273.db2.gz HHKWVUWLUWFRHA-KRWDZBQOSA-N 1 0 340.492 4.158 50 0 EIAARO CC(C)(C)C[N@@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067742532 215201221 /nfs/dbraw/zinc/20/12/21/215201221.db2.gz ADVDGOWJOQXSNV-UHFFFAOYSA-N 1 0 346.858 4.348 50 0 EIAARO COc1ccccc1-c1cccc(-c2cccc3c2O[C@H](C[NH3+])C3)c1 ZINC000067850566 215229698 /nfs/dbraw/zinc/22/96/98/215229698.db2.gz INTPKKBZTGRWTF-SFHVURJKSA-N 1 0 331.415 4.291 50 0 EIAARO CC[NH+](CC)CCCOC(=O)C(c1ccccc1)c1ccccc1 ZINC000001827163 209797542 /nfs/dbraw/zinc/79/75/42/209797542.db2.gz STNOBQQZVRBHSV-UHFFFAOYSA-N 1 0 325.452 4.094 50 0 EIAARO COc1ccc(-c2cc([C@H](O)[C@H]3CCCC[NH2+]3)c3ccccc3n2)cc1 ZINC000001608704 209766634 /nfs/dbraw/zinc/76/66/34/209766634.db2.gz PKDJQOGOVQLPPG-IRLDBZIGSA-N 1 0 348.446 4.086 50 0 in-vitro EIAARO Fc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000040086364 213259808 /nfs/dbraw/zinc/25/98/08/213259808.db2.gz CXDQJWVKJLCDSN-HXUWFJFHSA-N 1 0 335.426 4.238 50 0 EIAARO Cc1nc2sccn2c1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000040088646 213261316 /nfs/dbraw/zinc/26/13/16/213261316.db2.gz SFQYRTDUVMKKGX-UHFFFAOYSA-N 1 0 325.359 4.013 50 0 EIAARO COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)c(OC)c1OC ZINC000039985625 213248499 /nfs/dbraw/zinc/24/84/99/213248499.db2.gz UDEQKYISFRPRFA-GOSISDBHSA-N 1 0 329.440 4.199 50 0 EIAARO C(=C/c1ccccc1)\C[NH+]1CCC(Cn2cnc3ccccc32)CC1 ZINC000036708863 213112567 /nfs/dbraw/zinc/11/25/67/213112567.db2.gz BGJFXOLIIAPSNA-RMKNXTFCSA-N 1 0 331.463 4.462 50 0 EIAARO CC1CC[NH+]([C@@H](CNC(=O)c2cccs2)c2cccs2)CC1 ZINC000036310359 213083526 /nfs/dbraw/zinc/08/35/26/213083526.db2.gz HUPNETLTZKOMDW-AWEZNQCLSA-N 1 0 334.510 4.013 50 0 EIAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COCc1ccco1 ZINC000036100047 213067765 /nfs/dbraw/zinc/06/77/65/213067765.db2.gz UYENTJZSVQLSSU-HXUWFJFHSA-N 1 0 345.483 4.014 50 0 EIAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1 ZINC000036096651 213062749 /nfs/dbraw/zinc/06/27/49/213062749.db2.gz LLSXYVHTNHJGRY-QGZVFWFLSA-N 1 0 333.497 4.036 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000035023339 213005612 /nfs/dbraw/zinc/00/56/12/213005612.db2.gz WCDKJXUJAFXWJF-UEXGIBASSA-N 1 0 339.479 4.356 50 0 EIAARO CC1(C)CC(Nc2ncnc3sc4c(c32)CCCC4)CC(C)(C)[NH2+]1 ZINC000000148070 209452046 /nfs/dbraw/zinc/45/20/46/209452046.db2.gz ORCHOAQNSDIIHT-UHFFFAOYSA-N 1 0 344.528 4.291 50 0 EIAARO [NH3+]CCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000000056477 209393055 /nfs/dbraw/zinc/39/30/55/209393055.db2.gz JXPQMHIXNPWEEK-UHFFFAOYSA-N 1 0 333.431 4.346 50 0 biogenic,in-vitro EIAARO Cc1cccc([C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000072477410 216255446 /nfs/dbraw/zinc/25/54/46/216255446.db2.gz ZNRGNWVTIROSLE-SFHVURJKSA-N 1 0 341.524 4.431 50 0 EIAARO c1ccc(OC2CCCC2)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000023372921 212372397 /nfs/dbraw/zinc/37/23/97/212372397.db2.gz POEKYZFOASKQSP-LJQANCHMSA-N 1 0 328.500 4.068 50 0 EIAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1Cl ZINC000023128067 212351730 /nfs/dbraw/zinc/35/17/30/212351730.db2.gz IYIWNYLLLXITNQ-UHFFFAOYSA-N 1 0 348.899 4.044 50 0 EIAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc2ccccc2c1 ZINC000022793431 212325106 /nfs/dbraw/zinc/32/51/06/212325106.db2.gz BCUWOTNVVMAPBF-UHFFFAOYSA-N 1 0 337.419 4.155 50 0 EIAARO COc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)cc(OC)c1OC ZINC000022781603 212323255 /nfs/dbraw/zinc/32/32/55/212323255.db2.gz HJINAYCDMYDJAC-GFCCVEGCSA-N 1 0 335.831 4.217 50 0 EIAARO COc1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000022784015 212322852 /nfs/dbraw/zinc/32/28/52/212322852.db2.gz XZFXESHTISZFJJ-GFCCVEGCSA-N 1 0 335.831 4.217 50 0 EIAARO CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000022696716 212317057 /nfs/dbraw/zinc/31/70/57/212317057.db2.gz FTNGLBYJDHNKIB-NRFANRHFSA-N 1 0 336.479 4.092 50 0 EIAARO COc1ccc(C[NH2+][C@@H](C)CC(C)(C)c2ccc(C)o2)cc1OC ZINC000022077597 212276801 /nfs/dbraw/zinc/27/68/01/212276801.db2.gz LTUAVHZKSHKCTF-AWEZNQCLSA-N 1 0 331.456 4.451 50 0 EIAARO COc1cccc([C@H]2CC[N@@H+]2Cc2ccc(-n3cccn3)cc2C)c1 ZINC000215344046 241121329 /nfs/dbraw/zinc/12/13/29/241121329.db2.gz RTQRGHPNPOEJGU-OAQYLSRUSA-N 1 0 333.435 4.136 50 0 EIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000021720064 212244050 /nfs/dbraw/zinc/24/40/50/212244050.db2.gz SZWMOMHVDRCMDH-SFHVURJKSA-N 1 0 336.439 4.327 50 0 EIAARO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000020919893 212188458 /nfs/dbraw/zinc/18/84/58/212188458.db2.gz ROZVVIDFSRLQBJ-AWEZNQCLSA-N 1 0 343.377 4.328 50 0 EIAARO COc1ccc([C@@H](C)C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000242302221 243016552 /nfs/dbraw/zinc/01/65/52/243016552.db2.gz YQOODWXTJVWMFQ-OXJNMPFZSA-N 1 0 327.468 4.148 50 0 EIAARO COc1cccc(CC[NH2+]Cc2c[nH]nc2-c2cc3ccccc3o2)c1 ZINC000020908000 212186179 /nfs/dbraw/zinc/18/61/79/212186179.db2.gz IBPUFEQVIMGAQV-UHFFFAOYSA-N 1 0 347.418 4.164 50 0 EIAARO Cc1oc(-c2ccsc2)nc1C[N@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000020821407 212174464 /nfs/dbraw/zinc/17/44/64/212174464.db2.gz SXVKJCAAIVUXHO-QGZVFWFLSA-N 1 0 346.496 4.493 50 0 EIAARO COc1cccc(NC(=O)CCC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000020534723 212144564 /nfs/dbraw/zinc/14/45/64/212144564.db2.gz NLDBUIDJWWLTOK-UHFFFAOYSA-N 1 0 344.499 4.459 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000020506847 212141460 /nfs/dbraw/zinc/14/14/60/212141460.db2.gz WEKALSXFBRPZOT-IBGZPJMESA-N 1 0 331.843 4.373 50 0 EIAARO C[N@H+](CCc1ccccc1)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000020388344 212124189 /nfs/dbraw/zinc/12/41/89/212124189.db2.gz XGOQPWFJFWOXKZ-UHFFFAOYSA-N 1 0 327.815 4.065 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)c1ccccc1 ZINC000020312630 212118177 /nfs/dbraw/zinc/11/81/77/212118177.db2.gz BYJGOCWNKCACRL-WZONZLPQSA-N 1 0 347.458 4.477 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H](O)c1ccccc1 ZINC000020312644 212118236 /nfs/dbraw/zinc/11/82/36/212118236.db2.gz BYJGOCWNKCACRL-MBSDFSHPSA-N 1 0 347.458 4.477 50 0 EIAARO Fc1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019781656 212065932 /nfs/dbraw/zinc/06/59/32/212065932.db2.gz MXPMPAJSEQWCSP-UHFFFAOYSA-N 1 0 334.438 4.297 50 0 EIAARO Brc1ccccc1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000019608353 212051582 /nfs/dbraw/zinc/05/15/82/212051582.db2.gz DJFBBNZOXCQBNF-INIZCTEOSA-N 1 0 327.225 4.166 50 0 EIAARO FC(F)(F)c1ccccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019537398 212040662 /nfs/dbraw/zinc/04/06/62/212040662.db2.gz KQEROGTWFRPRET-UHFFFAOYSA-N 1 0 334.385 4.023 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000017067850 211949176 /nfs/dbraw/zinc/94/91/76/211949176.db2.gz AFCRRNYVMAZKBE-CHWSQXEVSA-N 1 0 330.453 4.302 50 0 EIAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)Nc2cccnc2)c1 ZINC000079075987 217188445 /nfs/dbraw/zinc/18/84/45/217188445.db2.gz BSZFYPZSGCNYLE-UHFFFAOYSA-N 1 0 340.471 4.025 50 0 EIAARO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000079109638 217195407 /nfs/dbraw/zinc/19/54/07/217195407.db2.gz GKVCLBCFBQHXGF-ZWKOTPCHSA-N 1 0 348.556 4.042 50 0 EIAARO Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000014245474 211721279 /nfs/dbraw/zinc/72/12/79/211721279.db2.gz ZXBILFXROHASLE-UHFFFAOYSA-N 1 0 347.462 4.002 50 0 EIAARO c1coc(-c2n[nH]c(CC[NH2+][C@H]3CCCC[C@@H]3C3=CCCCC3)n2)c1 ZINC000089672843 217826154 /nfs/dbraw/zinc/82/61/54/217826154.db2.gz LKEVLVPXNHSYAR-SJORKVTESA-N 1 0 340.471 4.256 50 0 EIAARO COC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000012456569 211387148 /nfs/dbraw/zinc/38/71/48/211387148.db2.gz SYQVQGJKXXBCHP-MRXNPFEDSA-N 1 0 334.847 4.304 50 0 EIAARO CSCCC[N@@H+]1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000012432787 211380429 /nfs/dbraw/zinc/38/04/29/211380429.db2.gz VIVXTILINCRPEU-KRWDZBQOSA-N 1 0 335.513 4.122 50 0 EIAARO C[C@@H]([NH2+]C[C@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000012383890 211362972 /nfs/dbraw/zinc/36/29/72/211362972.db2.gz HXFPAKGMNBNTBT-OTBHMBEGSA-N 1 0 333.516 4.320 50 0 EIAARO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](CC(C)C)C3)c1 ZINC000012333697 211350967 /nfs/dbraw/zinc/35/09/67/211350967.db2.gz NJRGEWNOCWZPQS-UHFFFAOYSA-N 1 0 341.451 4.221 50 0 EIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012297573 211334441 /nfs/dbraw/zinc/33/44/41/211334441.db2.gz NZLDOEGINURESY-QHCPKHFHSA-N 1 0 346.474 4.052 50 0 EIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012297572 211334468 /nfs/dbraw/zinc/33/44/68/211334468.db2.gz NZLDOEGINURESY-HSZRJFAPSA-N 1 0 346.474 4.052 50 0 EIAARO COc1cccc(C[NH2+]Cc2cccnc2N(C)C2CCCCC2)c1 ZINC000012074151 211286926 /nfs/dbraw/zinc/28/69/26/211286926.db2.gz XHVFUARFBRNEGM-UHFFFAOYSA-N 1 0 339.483 4.149 50 0 EIAARO O=C(c1cc(F)ccc1F)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011997725 211277812 /nfs/dbraw/zinc/27/78/12/211277812.db2.gz NCXJWJAGWMFLMO-QGZVFWFLSA-N 1 0 343.417 4.492 50 0 EIAARO COc1cc(C[C@H](C)[NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)ccc1O ZINC000011957356 211274050 /nfs/dbraw/zinc/27/40/50/211274050.db2.gz ZULLUKANCNLRJT-ZDUSSCGKSA-N 1 0 338.451 4.220 50 0 EIAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000011938390 211272349 /nfs/dbraw/zinc/27/23/49/211272349.db2.gz CSOMEFJHBLTJGH-INIZCTEOSA-N 1 0 328.843 4.138 50 0 EIAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+](C)C ZINC000011934255 211272130 /nfs/dbraw/zinc/27/21/30/211272130.db2.gz WYLNUDWCHJHAKW-UHFFFAOYSA-N 1 0 327.378 4.188 50 0 EIAARO CCC[C@]1(CO)CCC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000091519375 218016980 /nfs/dbraw/zinc/01/69/80/218016980.db2.gz GUAZXXIWVUMNGN-FQEVSTJZSA-N 1 0 328.456 4.025 50 0 EIAARO O=C(CCC1CC[NH+](Cc2cc3ccccc3o2)CC1)N1CCCC1 ZINC000011878568 211262002 /nfs/dbraw/zinc/26/20/02/211262002.db2.gz FTYBRYUMYIKQGQ-UHFFFAOYSA-N 1 0 340.467 4.047 50 0 EIAARO c1ccc(CCC[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 ZINC000011816142 211249733 /nfs/dbraw/zinc/24/97/33/211249733.db2.gz ZITKNBWJDNKWPD-FQEVSTJZSA-N 1 0 344.462 4.138 50 0 EIAARO Cc1cccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccnc2)c1C ZINC000011817264 211249549 /nfs/dbraw/zinc/24/95/49/211249549.db2.gz NEFQKOSNYTYFDP-LJQANCHMSA-N 1 0 332.451 4.051 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000011612280 211225337 /nfs/dbraw/zinc/22/53/37/211225337.db2.gz VPRPANWSSJGICN-FGTMMUONSA-N 1 0 336.479 4.418 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000011612278 211225507 /nfs/dbraw/zinc/22/55/07/211225507.db2.gz VPRPANWSSJGICN-KZNAEPCWSA-N 1 0 336.479 4.418 50 0 EIAARO Cc1ccc2c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)coc2c1C ZINC000010812931 211189886 /nfs/dbraw/zinc/18/98/86/211189886.db2.gz SNEDDMHUGVAQJW-UHFFFAOYSA-N 1 0 342.483 4.018 50 0 EIAARO O=C(NCc1ccccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010337957 211166043 /nfs/dbraw/zinc/16/60/43/211166043.db2.gz KIBIKQPNJPVOPE-UHFFFAOYSA-N 1 0 342.870 4.256 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000010329710 211164055 /nfs/dbraw/zinc/16/40/55/211164055.db2.gz VJYNUBHXYZKNOT-LJQANCHMSA-N 1 0 342.458 4.156 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1)c1cccc2ccccc21 ZINC000010330375 211163617 /nfs/dbraw/zinc/16/36/17/211163617.db2.gz HEPMHEYRJKFWNH-FQEVSTJZSA-N 1 0 333.435 4.264 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000010035746 211144230 /nfs/dbraw/zinc/14/42/30/211144230.db2.gz DPOALMCWVPDCFQ-RYUDHWBXSA-N 1 0 339.361 4.233 50 0 EIAARO COc1ccc([C@@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009547868 211101275 /nfs/dbraw/zinc/10/12/75/211101275.db2.gz VAHZNFBZMLURDU-ICSRJNTNSA-N 1 0 325.452 4.332 50 0 EIAARO COc1ccc(C)cc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009479161 211089502 /nfs/dbraw/zinc/08/95/02/211089502.db2.gz ZDLWHGNLNPUXDX-UHFFFAOYSA-N 1 0 338.451 4.242 50 0 EIAARO CCC[C@H](C)[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000095350093 218283912 /nfs/dbraw/zinc/28/39/12/218283912.db2.gz GTTLBZUHOPHMPO-LBPRGKRZSA-N 1 0 332.517 4.163 50 0 EIAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000095358402 218291708 /nfs/dbraw/zinc/29/17/08/218291708.db2.gz XMWWZUTZKILZME-MRXNPFEDSA-N 1 0 349.425 4.445 50 0 EIAARO CC(C)n1ccnc1[C@H]1CCC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC000095363194 218295815 /nfs/dbraw/zinc/29/58/15/218295815.db2.gz LRXHMWXUYBKGDA-IBGZPJMESA-N 1 0 349.482 4.029 50 0 EIAARO O=C(Nc1ccc([C@H]2[NH2+]CCc3sccc32)cc1)c1ccccc1 ZINC000008855252 211011959 /nfs/dbraw/zinc/01/19/59/211011959.db2.gz KQCJVQATUOVCLS-LJQANCHMSA-N 1 0 334.444 4.236 50 0 EIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000008863077 211011804 /nfs/dbraw/zinc/01/18/04/211011804.db2.gz XENAAIRIUDHXLS-SFHVURJKSA-N 1 0 346.471 4.234 50 0 EIAARO CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000008753061 211000036 /nfs/dbraw/zinc/00/00/36/211000036.db2.gz CEWPTAYMEWANIJ-MGPUTAFESA-N 1 0 338.451 4.203 50 0 EIAARO C[C@@]1([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCCc2ccccc21 ZINC000095397862 218331046 /nfs/dbraw/zinc/33/10/46/218331046.db2.gz WZUFCTKSOZDLLX-OAQYLSRUSA-N 1 0 335.426 4.353 50 0 EIAARO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)c(C)s1 ZINC000095419431 218359373 /nfs/dbraw/zinc/35/93/73/218359373.db2.gz OOGUYISZOWZHQH-ZIAGYGMSSA-N 1 0 326.469 4.357 50 0 EIAARO c1nc(C2CCC2)sc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000095415510 218354305 /nfs/dbraw/zinc/35/43/05/218354305.db2.gz JJYBYEKDXWEHJC-UHFFFAOYSA-N 1 0 328.481 4.206 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cccc3cccnc32)c1 ZINC000095419927 218360605 /nfs/dbraw/zinc/36/06/05/218360605.db2.gz HDUZUDZJTWYNQM-HNNXBMFYSA-N 1 0 333.435 4.087 50 0 EIAARO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000095420609 218361380 /nfs/dbraw/zinc/36/13/80/218361380.db2.gz JWGXPNYWUHXCDJ-GOSISDBHSA-N 1 0 338.842 4.006 50 0 EIAARO O=C(c1ccco1)N1CCC([NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000095421816 218363877 /nfs/dbraw/zinc/36/38/77/218363877.db2.gz MRJDQPBPCXTSSJ-FQEVSTJZSA-N 1 0 338.451 4.015 50 0 EIAARO COc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H](CCO)c1cccs1 ZINC000095423031 218365124 /nfs/dbraw/zinc/36/51/24/218365124.db2.gz NCBVCTKAWAGWEQ-RISCZKNCSA-N 1 0 325.861 4.184 50 0 EIAARO COC(=O)c1ccc(CNC2(c3ccc(F)cc3F)CCCCC2)o1 ZINC000095454720 218398580 /nfs/dbraw/zinc/39/85/80/218398580.db2.gz ZNVYUWPDALVERV-UHFFFAOYSA-N 1 0 349.377 4.294 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(Cl)s2)cc1 ZINC000007828542 210854193 /nfs/dbraw/zinc/85/41/93/210854193.db2.gz AYQJTNDXDGTWFV-UHFFFAOYSA-N 1 0 336.888 4.173 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C(C)(C)C)c1ccccc1 ZINC000005073884 210384256 /nfs/dbraw/zinc/38/42/56/210384256.db2.gz QCDAHAHOFXFTEW-SJLPKXTDSA-N 1 0 327.468 4.075 50 0 EIAARO C[N@H+](CCNC(=O)c1csc2c1CCCCC2)C1CCCCC1 ZINC000005070473 210383753 /nfs/dbraw/zinc/38/37/53/210383753.db2.gz NMIAILHUDZSEQU-UHFFFAOYSA-N 1 0 334.529 4.011 50 0 EIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000005045785 210373521 /nfs/dbraw/zinc/37/35/21/210373521.db2.gz IQDMRNHAOGKQJW-CMAIMYMYSA-N 1 0 340.511 4.060 50 0 EIAARO Cc1nc([C@H]2CCCCN2Cc2ccccc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097546547 219033988 /nfs/dbraw/zinc/03/39/88/219033988.db2.gz ZAFYEYIPVKNUHD-HXUWFJFHSA-N 1 0 347.466 4.006 50 0 EIAARO Fc1cnc2c(c1)nccc2NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000328592575 258043779 /nfs/dbraw/zinc/04/37/79/258043779.db2.gz DVKVEORUUFUETG-QGZVFWFLSA-N 1 0 340.402 4.001 50 0 EIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1c(Cl)cccc1Cl ZINC000002171834 258049673 /nfs/dbraw/zinc/04/96/73/258049673.db2.gz OAAGFPCQIUVWSN-LBPRGKRZSA-N 1 0 344.286 4.379 50 0 EIAARO Cc1ccc2cc(C[NH2+]CCc3ccc(F)cc3)c(N(C)C)nc2c1 ZINC000299758140 258076390 /nfs/dbraw/zinc/07/63/90/258076390.db2.gz DFUMCKABONKBLN-UHFFFAOYSA-N 1 0 337.442 4.081 50 0 EIAARO Cc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000055292040 132194730 /nfs/dbraw/zinc/19/47/30/132194730.db2.gz ICMAQZYBGVQXGD-UHFFFAOYSA-N 1 0 340.414 4.398 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 ZINC000057369628 132199974 /nfs/dbraw/zinc/19/99/74/132199974.db2.gz GSANSHMHDXCJMM-OXQOHEQNSA-N 1 0 334.463 4.022 50 0 EIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCC(C)C)cc1 ZINC000036101747 524420999 /nfs/dbraw/zinc/42/09/99/524420999.db2.gz QZKAFLYGUQYFMB-JOCHJYFZSA-N 1 0 341.495 4.031 50 0 EIAARO CC[C@@H](C)c1ccc(OC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774589 563924926 /nfs/dbraw/zinc/92/49/26/563924926.db2.gz LCKSSPAHIALMDM-OLZOCXBDSA-N 1 0 326.278 4.341 50 0 EIAARO C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c2ccsc2S1 ZINC000108461295 564028228 /nfs/dbraw/zinc/02/82/28/564028228.db2.gz BQMRMHBEIDYWOT-LMWOUKEDSA-N 1 0 341.567 4.318 50 0 EIAARO C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)[NH+]1CCC(C)CC1 ZINC000008318232 564164262 /nfs/dbraw/zinc/16/42/62/564164262.db2.gz HCIVKSLZTFPCSE-LBPRGKRZSA-N 1 0 328.428 4.060 50 0 EIAARO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[NH+]2CCCC2)cc1 ZINC000000082238 563219023 /nfs/dbraw/zinc/21/90/23/563219023.db2.gz KAQCQBSUUSBGRM-UHFFFAOYSA-N 1 0 344.480 4.222 50 0 EIAARO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000002178111 563425539 /nfs/dbraw/zinc/42/55/39/563425539.db2.gz NVXJONJLJBARJK-UHFFFAOYSA-N 1 0 333.859 4.435 50 0 EIAARO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(SC3CCCC3)cc2)C1 ZINC000071911751 563586380 /nfs/dbraw/zinc/58/63/80/563586380.db2.gz QJQUFSAEZXFHAJ-HNNXBMFYSA-N 1 0 347.528 4.137 50 0 EIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)cnn1-c1ccccc1 ZINC000012590337 563664308 /nfs/dbraw/zinc/66/43/08/563664308.db2.gz JZBQEEMPOUDLOL-CYBMUJFWSA-N 1 0 327.378 4.310 50 0 EIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc2ccccc21 ZINC000032721272 563703237 /nfs/dbraw/zinc/70/32/37/563703237.db2.gz ZYEWZWRPWNWQIS-QFIPXVFZSA-N 1 0 344.458 4.407 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F ZINC000032851134 563762661 /nfs/dbraw/zinc/76/26/61/563762661.db2.gz HFLSHCPPMBBRGF-BDJLRTHQSA-N 1 0 332.806 4.083 50 0 EIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3ccc(C)s3)c2C)cc1 ZINC000014976823 563769532 /nfs/dbraw/zinc/76/95/32/563769532.db2.gz VKPNQDBANHPQAA-CQSZACIVSA-N 1 0 341.480 4.410 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCCC2)o1 ZINC000015860202 563796647 /nfs/dbraw/zinc/79/66/47/563796647.db2.gz GBWYVSQXFNSNAB-KRWDZBQOSA-N 1 0 346.858 4.198 50 0 EIAARO O=C(CCC1CCCCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016602324 563815860 /nfs/dbraw/zinc/81/58/60/563815860.db2.gz SKXAYPNVGUXEJS-UHFFFAOYSA-N 1 0 328.500 4.128 50 0 EIAARO CC(C)c1ccc(C(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 ZINC000017015108 563828382 /nfs/dbraw/zinc/82/83/82/563828382.db2.gz JQSVCVYWJSWBHL-UHFFFAOYSA-N 1 0 345.466 4.395 50 0 EIAARO c1ccc(C[NH+]2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000022576452 563863435 /nfs/dbraw/zinc/86/34/35/563863435.db2.gz VMINCUMTJOZUCW-UHFFFAOYSA-N 1 0 346.474 4.036 50 0 EIAARO C[NH+](C)C[C@H](NC(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000022893319 563865232 /nfs/dbraw/zinc/86/52/32/563865232.db2.gz YUFQADXUXOUBQX-FQEVSTJZSA-N 1 0 333.435 4.264 50 0 EIAARO CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000025156822 563881579 /nfs/dbraw/zinc/88/15/79/563881579.db2.gz LYHLATABDYOCRS-PMACEKPBSA-N 1 0 340.511 4.137 50 0 EIAARO C[N@H+](CC(=O)Nc1cccc2ncccc21)[C@H]1CCCc2ccccc21 ZINC000025948841 563889157 /nfs/dbraw/zinc/88/91/57/563889157.db2.gz GNXCGPDWEOBOJT-NRFANRHFSA-N 1 0 345.446 4.183 50 0 EIAARO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222447 563894836 /nfs/dbraw/zinc/89/48/36/563894836.db2.gz BXVVJLNDJWFHCA-NRFANRHFSA-N 1 0 331.463 4.407 50 0 EIAARO Cc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222444 563894889 /nfs/dbraw/zinc/89/48/89/563894889.db2.gz BXVVJLNDJWFHCA-OAQYLSRUSA-N 1 0 331.463 4.407 50 0 EIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000027580623 563896858 /nfs/dbraw/zinc/89/68/58/563896858.db2.gz CGTSTEFHIIJTKD-INIZCTEOSA-N 1 0 348.899 4.359 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1cccs1)c1ccccc1Cl ZINC000027578788 563896914 /nfs/dbraw/zinc/89/69/14/563896914.db2.gz JEIIFRYYKOCOBQ-OAHLLOKOSA-N 1 0 336.888 4.214 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCCC2)cc1 ZINC000027581710 563897136 /nfs/dbraw/zinc/89/71/36/563897136.db2.gz KQHFVPLGTLGQAM-NRFANRHFSA-N 1 0 336.479 4.260 50 0 EIAARO Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027661957 563898086 /nfs/dbraw/zinc/89/80/86/563898086.db2.gz VYIYRELLMNMUOL-IBGZPJMESA-N 1 0 342.870 4.215 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027662126 563898143 /nfs/dbraw/zinc/89/81/43/563898143.db2.gz NJFVGYHNBSXSKW-QGZVFWFLSA-N 1 0 328.481 4.014 50 0 EIAARO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027663932 563898581 /nfs/dbraw/zinc/89/85/81/563898581.db2.gz MIHUQSXSUJXUJU-QGZVFWFLSA-N 1 0 328.481 4.014 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000027794349 563899751 /nfs/dbraw/zinc/89/97/51/563899751.db2.gz GIFRODDAIMMEOB-IBGZPJMESA-N 1 0 342.870 4.215 50 0 EIAARO Cc1ccccc1C(=O)NC[C@H](c1cccs1)[NH+]1CCCCC1 ZINC000027794981 563899763 /nfs/dbraw/zinc/89/97/63/563899763.db2.gz XSQJMFFMUJMBFE-QGZVFWFLSA-N 1 0 328.481 4.014 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029482368 563906525 /nfs/dbraw/zinc/90/65/25/563906525.db2.gz RLXVWLYARMPNNF-GOSISDBHSA-N 1 0 328.843 4.206 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCc2ccccc21 ZINC000029483153 563906863 /nfs/dbraw/zinc/90/68/63/563906863.db2.gz GXFMNXUKLWXDFV-QGZVFWFLSA-N 1 0 332.806 4.037 50 0 EIAARO CC(=O)c1ccc(-[n+]2ccn(Cc3c(Cl)cccc3Cl)c2)cc1 ZINC000030516172 563909809 /nfs/dbraw/zinc/90/98/09/563909809.db2.gz KFRNBQDGWBHMSW-UHFFFAOYSA-N 1 0 346.237 4.323 50 0 EIAARO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072305256 563914719 /nfs/dbraw/zinc/91/47/19/563914719.db2.gz CLZCHNXWRMROKB-GJZGRUSLSA-N 1 0 340.920 4.193 50 0 EIAARO Cc1ccc2oc(=O)cc(C[N@H+](C)Cc3ccc(Cl)cc3)c2c1 ZINC000033018635 563914776 /nfs/dbraw/zinc/91/47/76/563914776.db2.gz RNBRPGUJNFQUJV-UHFFFAOYSA-N 1 0 327.811 4.387 50 0 EIAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)CCc1ccccc1)CC2 ZINC000023283590 563919406 /nfs/dbraw/zinc/91/94/06/563919406.db2.gz PAAGEPWOGWIBJB-INIZCTEOSA-N 1 0 325.452 4.083 50 0 EIAARO Brc1cc(-c2ccccc2)ccc1O[C@H]1CCC[NH2+]C1 ZINC000042774736 563924949 /nfs/dbraw/zinc/92/49/49/563924949.db2.gz ABJZHIMUHXSHQZ-HNNXBMFYSA-N 1 0 332.241 4.247 50 0 EIAARO Brc1cc(-c2ccccc2)ccc1OC1CC[NH2+]CC1 ZINC000042774740 563924951 /nfs/dbraw/zinc/92/49/51/563924951.db2.gz GQEQNFLSWOCHTH-UHFFFAOYSA-N 1 0 332.241 4.247 50 0 EIAARO C[C@@H]([NH2+][C@H](C)c1ccc(Oc2cccnc2)c(F)c1)c1cnn(C)c1 ZINC000096478378 563955182 /nfs/dbraw/zinc/95/51/82/563955182.db2.gz BKIJMQIGZFAWNR-ZIAGYGMSSA-N 1 0 340.402 4.158 50 0 EIAARO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cccs1 ZINC000065370989 563958414 /nfs/dbraw/zinc/95/84/14/563958414.db2.gz KAVKHUFRTLZNSY-QGZVFWFLSA-N 1 0 328.481 4.094 50 0 EIAARO Cc1cccc(C(C)(C)C)c1NC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC000065397203 563959789 /nfs/dbraw/zinc/95/97/89/563959789.db2.gz PJBUKJPGHXIXEG-UHFFFAOYSA-N 1 0 343.515 4.242 50 0 EIAARO Cn1ncc(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)CC2)c1C1CC1 ZINC000065508113 563961712 /nfs/dbraw/zinc/96/17/12/563961712.db2.gz TWVXAMNNAQYWNL-QFIPXVFZSA-N 1 0 349.478 4.128 50 0 EIAARO CCc1nc(C)c(C[NH+]2CCC(c3n[nH]cc3-c3ccccc3)CC2)[nH]1 ZINC000071314928 563964139 /nfs/dbraw/zinc/96/41/39/563964139.db2.gz GYZYKGOIKCYSTE-UHFFFAOYSA-N 1 0 349.482 4.050 50 0 EIAARO Cc1c2cc(C)cc(CNC(=O)[C@H](C)[NH+](C)C)c2[nH]c1-c1ccccc1 ZINC000071735828 563964857 /nfs/dbraw/zinc/96/48/57/563964857.db2.gz LUYNWRUAOGWKPA-INIZCTEOSA-N 1 0 349.478 4.018 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@H](CCc3ccccc3F)C2)ccc1O ZINC000071776236 563965766 /nfs/dbraw/zinc/96/57/66/563965766.db2.gz GPHGBPPHTHSNGL-MRXNPFEDSA-N 1 0 343.442 4.385 50 0 EIAARO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Cl)o1 ZINC000097001822 563966597 /nfs/dbraw/zinc/96/65/97/563966597.db2.gz FCLFMBVLAKCIGA-UHFFFAOYSA-N 1 0 330.856 4.106 50 0 EIAARO COc1ccc([C@@H]([NH2+]C2CCSCC2)c2ccc(F)cc2)cc1 ZINC000096999661 563966609 /nfs/dbraw/zinc/96/66/09/563966609.db2.gz MRMDMBREBWOZJF-IBGZPJMESA-N 1 0 331.456 4.409 50 0 EIAARO c1[nH]nc(-c2cccnc2)c1C[NH2+]Cc1ccccc1OC1CCCC1 ZINC000097159258 563968335 /nfs/dbraw/zinc/96/83/35/563968335.db2.gz SGRYIULCDLRGLB-UHFFFAOYSA-N 1 0 348.450 4.083 50 0 EIAARO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000097162451 563968430 /nfs/dbraw/zinc/96/84/30/563968430.db2.gz NTNPVXVTTRAYEL-SMDDNHRTSA-N 1 0 340.254 4.082 50 0 EIAARO C[C@H](Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@@](C)=O)cc1 ZINC000097037132 563971351 /nfs/dbraw/zinc/97/13/51/563971351.db2.gz JJCCIMQMVZPTNK-FYSMJZIKSA-N 1 0 342.508 4.193 50 0 EIAARO Cc1cc(C)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1C ZINC000091350844 563975309 /nfs/dbraw/zinc/97/53/09/563975309.db2.gz BVRNAHGVPKOQDJ-JTHBVZDNSA-N 1 0 349.522 4.103 50 0 EIAARO COc1ccc(C(N)=O)cc1-c1ccc([C@@H](C)[NH+]2CCCCC2)cc1 ZINC000096163257 563979868 /nfs/dbraw/zinc/97/98/68/563979868.db2.gz RFOHLYDWJLVYOO-OAHLLOKOSA-N 1 0 338.451 4.008 50 0 EIAARO c1cc([C@@H]2CCCO2)sc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000097117079 563981283 /nfs/dbraw/zinc/98/12/83/563981283.db2.gz SZUAFOZZHZJHCW-KRWDZBQOSA-N 1 0 339.464 4.075 50 0 EIAARO CCc1nc2ccccc2c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000000104391 563986412 /nfs/dbraw/zinc/98/64/12/563986412.db2.gz NHHBLYXTJNNTMJ-GJZGRUSLSA-N 1 0 339.483 4.022 50 0 EIAARO COCC[NH2+]Cc1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000247881974 563996393 /nfs/dbraw/zinc/99/63/93/563996393.db2.gz QNSPTOJVCLHNAN-UHFFFAOYSA-N 1 0 346.833 4.218 50 0 EIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000005446626 564004130 /nfs/dbraw/zinc/00/41/30/564004130.db2.gz YTJILCCPFZPZBS-HKUYNNGSSA-N 1 0 340.854 4.097 50 0 EIAARO Cc1cc(Sc2ccccc2)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000155602220 564008193 /nfs/dbraw/zinc/00/81/93/564008193.db2.gz IWCIBHYHTWGFPV-UHFFFAOYSA-N 1 0 326.465 4.084 50 0 EIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1cccc(C)c1 ZINC000018177345 564018556 /nfs/dbraw/zinc/01/85/56/564018556.db2.gz FYZGDUSEYJZZRM-UHFFFAOYSA-N 1 0 325.456 4.159 50 0 EIAARO CC[N@H+](Cc1ccccc1)C1CCN(Cc2cccc(F)c2)CC1 ZINC000000546524 564022734 /nfs/dbraw/zinc/02/27/34/564022734.db2.gz YDNNEAXOSLWMBL-UHFFFAOYSA-N 1 0 326.459 4.312 50 0 EIAARO O=C(Nc1ccccc1-c1cccs1)C1CC[NH+](C2CC2)CC1 ZINC000225588372 564024897 /nfs/dbraw/zinc/02/48/97/564024897.db2.gz VVIUSPRFHYQGMM-UHFFFAOYSA-N 1 0 326.465 4.228 50 0 EIAARO CC(C)c1ccc(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000105675695 564025288 /nfs/dbraw/zinc/02/52/88/564025288.db2.gz NBZWKSXFOKSUSU-JKSUJKDBSA-N 1 0 333.545 4.359 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1ccccc1Cl ZINC000107323710 564026853 /nfs/dbraw/zinc/02/68/53/564026853.db2.gz HTSGLJDFMSEAQY-LBTNJELSSA-N 1 0 334.891 4.028 50 0 EIAARO CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1cccc(Br)c1 ZINC000222115277 564036750 /nfs/dbraw/zinc/03/67/50/564036750.db2.gz QUEQOOMYXCPJLE-MKBNYLNASA-N 1 0 326.278 4.446 50 0 EIAARO COc1cccc(NC2CC[NH+](Cc3cc(C)sc3C)CC2)c1 ZINC000225560665 564047807 /nfs/dbraw/zinc/04/78/07/564047807.db2.gz HNBKXBVBFLSZBU-UHFFFAOYSA-N 1 0 330.497 4.450 50 0 EIAARO OCC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247744070 564052791 /nfs/dbraw/zinc/05/27/91/564052791.db2.gz PUJWUGVLYQZMKR-UHFFFAOYSA-N 1 0 349.261 4.078 50 0 EIAARO Cc1cccc(Cn2nc(C[NH2+]C(C)(C)C)c(-c3ccccc3)n2)c1 ZINC000247901552 564052834 /nfs/dbraw/zinc/05/28/34/564052834.db2.gz IUOQFAQKALTQSJ-UHFFFAOYSA-N 1 0 334.467 4.190 50 0 EIAARO CCN(CC)CC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248092882 564052913 /nfs/dbraw/zinc/05/29/13/564052913.db2.gz LWCNJRLUJKTDMF-UHFFFAOYSA-N 1 0 349.522 4.429 50 0 EIAARO Cc1c2cccc(F)c2oc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000025443532 564054378 /nfs/dbraw/zinc/05/43/78/564054378.db2.gz HKOCVJVJBUDMOZ-UHFFFAOYSA-N 1 0 346.446 4.265 50 0 EIAARO Clc1ccc(Cn2cc[n+](COCCCc3ccccc3)c2)cc1 ZINC000261492933 564056148 /nfs/dbraw/zinc/05/61/48/564056148.db2.gz OUBCHDJKGRIUDB-UHFFFAOYSA-N 1 0 341.862 4.084 50 0 EIAARO COc1ccc(C[NH2+][C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000078420595 564061956 /nfs/dbraw/zinc/06/19/56/564061956.db2.gz KUOQEPMQMAWIOY-LJQANCHMSA-N 1 0 339.439 4.067 50 0 EIAARO C[C@H]1C[C@@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012736484 564064693 /nfs/dbraw/zinc/06/46/93/564064693.db2.gz WNNAXJRUAKSABZ-JTSKRJEESA-N 1 0 348.490 4.222 50 0 EIAARO C[C@@H](c1cccs1)N(C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000084661326 564069511 /nfs/dbraw/zinc/06/95/11/564069511.db2.gz FYPHJVJLNYYTKL-HNNXBMFYSA-N 1 0 328.481 4.177 50 0 EIAARO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc([S@](C)=O)cc3)oc21 ZINC000085299264 564072465 /nfs/dbraw/zinc/07/24/65/564072465.db2.gz MJVYCTUFHLBTKM-YEBMWUKDSA-N 1 0 343.448 4.030 50 0 EIAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000012809658 564072543 /nfs/dbraw/zinc/07/25/43/564072543.db2.gz WRNMDDVBKGRLBU-SGTLLEGYSA-N 1 0 330.378 4.033 50 0 EIAARO Cc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012809866 564072554 /nfs/dbraw/zinc/07/25/54/564072554.db2.gz IUPMUJYWPGJCSN-YLJYHZDGSA-N 1 0 337.467 4.342 50 0 EIAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000005968101 564072760 /nfs/dbraw/zinc/07/27/60/564072760.db2.gz ZDOYPOMEISNALF-HKUYNNGSSA-N 1 0 327.468 4.209 50 0 EIAARO CC(=O)N1CC[C@@H](Nc2cc[nH+]c3ccccc23)c2ccc(F)cc2C1 ZINC000185251326 564073332 /nfs/dbraw/zinc/07/33/32/564073332.db2.gz IDDAEFXFKNYPRF-OAQYLSRUSA-N 1 0 349.409 4.279 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000012922766 564078422 /nfs/dbraw/zinc/07/84/22/564078422.db2.gz NEMDARSPMGQNQX-GUYCJALGSA-N 1 0 328.843 4.253 50 0 EIAARO COc1ccc(C[N@H+](Cc2ccc(-n3cccn3)cc2)C2CC2)cc1 ZINC000016355078 564082292 /nfs/dbraw/zinc/08/22/92/564082292.db2.gz UMEFTEALBHTOBY-UHFFFAOYSA-N 1 0 333.435 4.046 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCC[C@](O)(c1ccccc1)c1cccnc1 ZINC000102196803 564083206 /nfs/dbraw/zinc/08/32/06/564083206.db2.gz NPQAWCNDVWTXAM-KNKQGSTJSA-N 1 0 338.495 4.361 50 0 EIAARO CC(C)Cc1nc(CN2CCC[C@@H]2Cc2ccccc2Cl)no1 ZINC000064249444 564085657 /nfs/dbraw/zinc/08/56/57/564085657.db2.gz JNCHFWZTMJTEOR-OAHLLOKOSA-N 1 0 333.863 4.129 50 0 EIAARO CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)c1 ZINC000245605285 564088765 /nfs/dbraw/zinc/08/87/65/564088765.db2.gz QUEQOOMYXCPJLE-NOXHYTERSA-N 1 0 326.278 4.446 50 0 EIAARO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000006508066 564091179 /nfs/dbraw/zinc/09/11/79/564091179.db2.gz YILMSOSNBRMZDD-JTQLQIEISA-N 1 0 334.769 4.029 50 0 EIAARO O[C@@H]1c2ccc(-c3ccc(F)cc3Cl)cc2OC[C@H]1[NH+]1CCCC1 ZINC000426387868 564093563 /nfs/dbraw/zinc/09/35/63/564093563.db2.gz MXJUJXRYQBKQMP-IEBWSBKVSA-N 1 0 347.817 4.036 50 0 EIAARO CC[N@H+](C)C[C@@H](C)CNC(=O)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000426394769 564093605 /nfs/dbraw/zinc/09/36/05/564093605.db2.gz YIWNHFAFBPVKQP-HNNXBMFYSA-N 1 0 342.458 4.119 50 0 EIAARO CN(CC[NH+]1CCCC1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000426535012 564094019 /nfs/dbraw/zinc/09/40/19/564094019.db2.gz BOIIHFWRYPLWOL-UHFFFAOYSA-N 1 0 347.462 4.003 50 0 EIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COc2ccccc2)c1 ZINC000036100696 564096151 /nfs/dbraw/zinc/09/61/51/564096151.db2.gz CHRRRSIGIZYEKE-OAQYLSRUSA-N 1 0 341.495 4.283 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COc1ccccc1 ZINC000169678013 564098145 /nfs/dbraw/zinc/09/81/45/564098145.db2.gz BCEFFUNBHPCBGO-DOTOQJQBSA-N 1 0 333.497 4.097 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1C ZINC000169681685 564098207 /nfs/dbraw/zinc/09/82/07/564098207.db2.gz CYEWWCOQGVJLTK-TZIWHRDSSA-N 1 0 341.495 4.344 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000065154925 564102051 /nfs/dbraw/zinc/10/20/51/564102051.db2.gz IYJHQFWHYGSNIN-OAHLLOKOSA-N 1 0 335.451 4.349 50 0 EIAARO Cc1ccc(/C=C/C(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000065479863 564106325 /nfs/dbraw/zinc/10/63/25/564106325.db2.gz SYNXLNYFDOEHGB-OUKQBFOZSA-N 1 0 348.490 4.051 50 0 EIAARO CC[C@@H]1c2ccsc2CC[N@H+]1CCCn1c(=O)oc2ccccc21 ZINC000065592125 564108015 /nfs/dbraw/zinc/10/80/15/564108015.db2.gz HXNKWYVGTBECBT-OAHLLOKOSA-N 1 0 342.464 4.056 50 0 EIAARO Fc1ccc2sc(C[NH2+]Cc3c[nH]nc3-c3cccnc3)cc2c1 ZINC000065595055 564108091 /nfs/dbraw/zinc/10/80/91/564108091.db2.gz UGHMGTRYKOMJKP-UHFFFAOYSA-N 1 0 338.411 4.115 50 0 EIAARO C[C@H](Nc1ncnc2c(F)cccc12)c1cccc(-n2ccnc2)c1 ZINC000170606595 564109649 /nfs/dbraw/zinc/10/96/49/564109649.db2.gz ANCZUMIJAZINJR-ZDUSSCGKSA-N 1 0 333.370 4.128 50 0 EIAARO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@@H]2CCCc3ccccc32)c1C ZINC000007546173 564110336 /nfs/dbraw/zinc/11/03/36/564110336.db2.gz RJVYRMJVTMHWHI-KBXCAEBGSA-N 1 0 338.451 4.073 50 0 EIAARO Fc1cccc(Cl)c1[C@H](C[NH2+]Cc1cccs1)N1CCCC1 ZINC000089768030 564113616 /nfs/dbraw/zinc/11/36/16/564113616.db2.gz XARVYHBXFFCXJR-INIZCTEOSA-N 1 0 338.879 4.467 50 0 EIAARO CCC(=O)N1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@@H](CC)C1 ZINC000089949172 564115846 /nfs/dbraw/zinc/11/58/46/564115846.db2.gz OPTASWMFBKSHDM-YOEHRIQHSA-N 1 0 330.497 4.028 50 0 EIAARO CCOc1cc(C[NH2+]Cc2cc(F)cc3cccnc32)ccc1OC ZINC000089990991 564116103 /nfs/dbraw/zinc/11/61/03/564116103.db2.gz ZJTGDWFHBHNWPQ-UHFFFAOYSA-N 1 0 340.398 4.071 50 0 EIAARO CCOC(=O)C1CC[NH+](CCCOc2cc(C)ccc2C(C)C)CC1 ZINC000006704041 564117476 /nfs/dbraw/zinc/11/74/76/564117476.db2.gz LHWFVQDUQUFFCB-UHFFFAOYSA-N 1 0 347.499 4.162 50 0 EIAARO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252370583 564118365 /nfs/dbraw/zinc/11/83/65/564118365.db2.gz YHPJZFFADHNXOR-GBESFXJTSA-N 1 0 331.500 4.062 50 0 EIAARO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000170677570 564121401 /nfs/dbraw/zinc/12/14/01/564121401.db2.gz NXUZUKMPUTZNSE-KXBFYZLASA-N 1 0 326.440 4.030 50 0 EIAARO CCOC(=O)c1c(C[N@H+](C)[C@H]2CCC[C@H]2SC)oc2ccccc21 ZINC000252669301 564124806 /nfs/dbraw/zinc/12/48/06/564124806.db2.gz HCEUSORQMVIKQK-WMLDXEAASA-N 1 0 347.480 4.325 50 0 EIAARO Clc1cccc(Cl)c1CSc1nnc(C2CC[NH2+]CC2)o1 ZINC000007952236 564136152 /nfs/dbraw/zinc/13/61/52/564136152.db2.gz YNKKJUZBAWMQJT-UHFFFAOYSA-N 1 0 344.267 4.136 50 0 EIAARO O=C(Nc1cccc(F)c1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC000078949947 564137454 /nfs/dbraw/zinc/13/74/54/564137454.db2.gz IWVIRQFKMACSJX-UHFFFAOYSA-N 1 0 332.463 4.447 50 0 EIAARO COCc1cc(C[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)ccc1F ZINC000095422710 564140129 /nfs/dbraw/zinc/14/01/29/564140129.db2.gz CMUMKEJVHOUKNZ-OAHLLOKOSA-N 1 0 339.414 4.009 50 0 EIAARO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccccc1C(C)(C)C ZINC000095467010 564141090 /nfs/dbraw/zinc/14/10/90/564141090.db2.gz XXAQJJMKSNYJEI-HNNXBMFYSA-N 1 0 331.504 4.178 50 0 EIAARO Cc1cc(N[C@H](C)CCCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000095945475 564142190 /nfs/dbraw/zinc/14/21/90/564142190.db2.gz OIXJJQWLENGPLZ-CQSZACIVSA-N 1 0 332.410 4.468 50 0 EIAARO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2ccsc2)CC1 ZINC000096407284 564147408 /nfs/dbraw/zinc/14/74/08/564147408.db2.gz VIZSAVAMPHGJIA-INIZCTEOSA-N 1 0 342.508 4.023 50 0 EIAARO C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccsc1 ZINC000096476618 564148470 /nfs/dbraw/zinc/14/84/70/564148470.db2.gz BKOJOHJNBHRHKI-LLVKDONJSA-N 1 0 342.386 4.274 50 0 EIAARO O[C@@H](C[NH2+]CCC1=CCCCC1)COc1c(Cl)cccc1Cl ZINC000002653744 564151950 /nfs/dbraw/zinc/15/19/50/564151950.db2.gz NXDXASPELVAKCA-AWEZNQCLSA-N 1 0 344.282 4.213 50 0 EIAARO COc1ccc([C@](O)(CC[NH+]2CCCCC2)C2CCCCC2)cc1 ZINC000003067476 564154915 /nfs/dbraw/zinc/15/49/15/564154915.db2.gz FLQKREVCPVXWBI-NRFANRHFSA-N 1 0 331.500 4.339 50 0 EIAARO C[C@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211389 564156028 /nfs/dbraw/zinc/15/60/28/564156028.db2.gz ZFIGNLOEBSAXKI-SUMWQHHRSA-N 1 0 348.899 4.357 50 0 EIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC(C)(C)C)cc1 ZINC000031077547 564158667 /nfs/dbraw/zinc/15/86/67/564158667.db2.gz LEAWPCQLVGGJSD-UHFFFAOYSA-N 1 0 338.495 4.468 50 0 EIAARO CC(=O)c1ccc2[nH]c(C)c(C[N@@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717273 564166750 /nfs/dbraw/zinc/16/67/50/564166750.db2.gz GKHCXOPJHRNSJE-UHFFFAOYSA-N 1 0 326.440 4.216 50 0 EIAARO CCN(CC)c1ccc2[nH]c(C)c(C[NH+]3CCC(C)CC3)c(=O)c2c1 ZINC000008717372 564166827 /nfs/dbraw/zinc/16/68/27/564166827.db2.gz JKAQRGOOZVRSIU-UHFFFAOYSA-N 1 0 341.499 4.327 50 0 EIAARO COc1ccc(Cl)c2c(=O)c(C[N@@H+]3CCCC[C@H]3C)c(C)[nH]c12 ZINC000008717471 564166840 /nfs/dbraw/zinc/16/68/40/564166840.db2.gz GHIHOVVBHIOILI-LLVKDONJSA-N 1 0 334.847 4.285 50 0 EIAARO COc1ccc2cc(C[NH2+][C@@H](C)c3ccc4c(c3)OCCO4)ccc2c1 ZINC000008728631 564167040 /nfs/dbraw/zinc/16/70/40/564167040.db2.gz XYVFZDGEXMQRIO-HNNXBMFYSA-N 1 0 349.430 4.470 50 0 EIAARO CCN1N=C2/C(=C/c3ccc(C)cc3)C[NH2+]C[C@@H]2[C@H]1c1ccc(C)cc1 ZINC000245380896 564169148 /nfs/dbraw/zinc/16/91/48/564169148.db2.gz SWQBZQSVTPIJFW-WDNDMZGNSA-N 1 0 345.490 4.339 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(F)c1 ZINC000174024676 564173731 /nfs/dbraw/zinc/17/37/31/564173731.db2.gz RVFIKDIZCBTWMC-OAHLLOKOSA-N 1 0 349.409 4.324 50 0 EIAARO O=C(N[C@H]1CCC[C@H]1n1ccnc1)c1sc2ccccc2c1Cl ZINC000071843165 564175896 /nfs/dbraw/zinc/17/58/96/564175896.db2.gz IXLHSRJQJJHWTA-QWHCGFSZSA-N 1 0 345.855 4.275 50 0 EIAARO CCCOc1ccc([C@@H](O)[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000002250659 568422363 /nfs/dbraw/zinc/42/23/63/568422363.db2.gz ZQANJCYEINMFHT-LEWJYISDSA-N 1 0 325.452 4.346 50 0 EIAARO O[C@H](Cn1c2ccccc2c2cc(Cl)ccc21)C[NH+]1CCCCC1 ZINC000002227921 1021395413 /nfs/dbraw/zinc/39/54/13/1021395413.db2.gz GWZRVROTTFACQU-INIZCTEOSA-N 1 0 342.870 4.295 50 0 EIAARO Cc1cnc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815874 1021885476 /nfs/dbraw/zinc/88/54/76/1021885476.db2.gz JURKRUWWOLTFRX-FQEVSTJZSA-N 1 0 349.453 4.368 50 0 EIAARO O[C@H](C[NH2+]C1CCCCC1)COc1ccc(-c2ccccc2)cc1 ZINC000004279613 1023890621 /nfs/dbraw/zinc/89/06/21/1023890621.db2.gz JJAAIENUQPAXII-HXUWFJFHSA-N 1 0 325.452 4.016 50 0 EIAARO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)C[C@@H](C)SC2CCCCC2)C1 ZINC000888096074 1025996378 /nfs/dbraw/zinc/99/63/78/1025996378.db2.gz JJLFRFWQGVJMRM-JFIYKMOQSA-N 1 0 340.577 4.068 50 0 EIAARO Brc1ccc2c(c1)[C@@H](c1c[nH]c3ccccc31)[NH2+]CC2 ZINC000526055993 1029111809 /nfs/dbraw/zinc/11/18/09/1029111809.db2.gz KHLGLGAFUULBJR-KRWDZBQOSA-N 1 0 327.225 4.166 50 0 EIAARO Cc1ccc2[nH+]ccc(N3CC[C@@H](c4ccccc4)[C@@H](CO)C3)c2c1 ZINC000585082747 1033526395 /nfs/dbraw/zinc/52/63/95/1033526395.db2.gz XCVCHJUVCOKJII-MOPGFXCFSA-N 1 0 332.447 4.146 50 0 EIAARO CCCOc1ccc(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000156688720 1036132815 /nfs/dbraw/zinc/13/28/15/1036132815.db2.gz HMVIVUPEAIZYKN-SFHVURJKSA-N 1 0 338.451 4.407 50 0 EIAARO Clc1ccc2c(c1)C=C(C[NH2+][C@H](c1nccs1)C1CC1)CO2 ZINC000174549954 1038999064 /nfs/dbraw/zinc/99/90/64/1038999064.db2.gz VHFQIKJMEDDCNH-INIZCTEOSA-N 1 0 332.856 4.313 50 0 EIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)N1C1CCCCCCC1 ZINC000011872709 1043487977 /nfs/dbraw/zinc/48/79/77/1043487977.db2.gz GHBUSUCDSRWZHQ-FQEVSTJZSA-N 1 0 346.490 4.409 50 0 EIAARO COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)cc1C ZINC000011933562 1043754873 /nfs/dbraw/zinc/75/48/73/1043754873.db2.gz CPXNSCVAUSERJS-JOCHJYFZSA-N 1 0 342.527 4.092 50 0 EIAARO Cc1cccc(-c2ncc(C[N@@H+]3CCC[C@H]3c3cccnc3)cn2)c1 ZINC000825224761 1044619807 /nfs/dbraw/zinc/61/98/07/1044619807.db2.gz DZVLSFMVAOMOAN-FQEVSTJZSA-N 1 0 330.435 4.184 50 0 EIAARO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000179429894 1049568318 /nfs/dbraw/zinc/56/83/18/1049568318.db2.gz XIZFMGDWLKYTLY-OAHLLOKOSA-N 1 0 336.888 4.199 50 0 EIAARO CCCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2-n2nc(C)cc2C)C1 ZINC000952969616 1049683541 /nfs/dbraw/zinc/68/35/41/1049683541.db2.gz BWEXAPGIWSZVGN-LJQANCHMSA-N 1 0 345.462 4.019 50 0 EIAARO Cc1ccc(CN(C(=O)[C@H]2CCCCC[N@H+]2C)C2CCCC2)s1 ZINC000952973734 1049686883 /nfs/dbraw/zinc/68/68/83/1049686883.db2.gz AFVWEVQOKRGHIP-GOSISDBHSA-N 1 0 334.529 4.202 50 0 EIAARO C[N@@H+](Cc1ccnc2ccccc12)C[C@@H]1CCN(c2ccccc2)C1 ZINC000952982850 1049688106 /nfs/dbraw/zinc/68/81/06/1049688106.db2.gz SBMZQWQXOYXZGL-SFHVURJKSA-N 1 0 331.463 4.193 50 0 EIAARO Cc1nc2cc(C[NH2+]Cc3ccc([C@@H]4CCCCO4)o3)ccc2n1C ZINC000952968472 1049688246 /nfs/dbraw/zinc/68/82/46/1049688246.db2.gz CIHKZNLPLMVAQY-IBGZPJMESA-N 1 0 339.439 4.006 50 0 EIAARO COc1ccccc1-c1ncc(CN(C)[C@H](C)c2cccnc2)s1 ZINC000952986463 1049692439 /nfs/dbraw/zinc/69/24/39/1049692439.db2.gz YBLZBJIXIAZNFM-CQSZACIVSA-N 1 0 339.464 4.407 50 0 EIAARO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000581808075 1060017175 /nfs/dbraw/zinc/01/71/75/1060017175.db2.gz WXNLNCYYWMBHMP-OAQYLSRUSA-N 1 0 346.478 4.399 50 0 EIAARO CC(C)CC(=O)N1CCC(Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000581810071 1060021700 /nfs/dbraw/zinc/02/17/00/1060021700.db2.gz NXMDPVXYWKZEBD-UHFFFAOYSA-N 1 0 342.527 4.110 50 0 EIAARO CCC[C@H](O)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004708722 210254540 /nfs/dbraw/zinc/25/45/40/210254540.db2.gz CWTIKDCZHYEJHS-NRFANRHFSA-N 1 0 346.490 4.295 50 0 EIAARO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1cccs1 ZINC000054417197 214236791 /nfs/dbraw/zinc/23/67/91/214236791.db2.gz DSAITJXZUGWSEM-IBGZPJMESA-N 1 0 342.508 4.010 50 0 EIAARO Cc1ccnc(C[C@@H](C)[N@H+](C)Cc2cccc(Oc3ncccn3)c2)c1 ZINC000055035871 214265208 /nfs/dbraw/zinc/26/52/08/214265208.db2.gz GXAHGHLOOPHRHM-QGZVFWFLSA-N 1 0 348.450 4.035 50 0 EIAARO Cc1nc(C)c([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000055173292 214283204 /nfs/dbraw/zinc/28/32/04/214283204.db2.gz NHSJXNSLJBIWOF-VIFPVBQESA-N 1 0 338.860 4.035 50 0 EIAARO COCC[N@H+](Cc1sccc1C)Cc1cnc2ccccc2c1 ZINC000055309045 214305832 /nfs/dbraw/zinc/30/58/32/214305832.db2.gz MFWZABCIHJAFAM-UHFFFAOYSA-N 1 0 326.465 4.253 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccncc1 ZINC000055358208 214311024 /nfs/dbraw/zinc/31/10/24/214311024.db2.gz YMZJFARGYILQHK-CQSZACIVSA-N 1 0 326.469 4.334 50 0 EIAARO CCOc1ccc(Br)cc1C[NH2+]Cc1cccs1 ZINC000055561888 214329614 /nfs/dbraw/zinc/32/96/14/214329614.db2.gz ASWGUBUKSKBKQZ-UHFFFAOYSA-N 1 0 326.259 4.199 50 0 EIAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCc3cc(Cl)ccc32)o1 ZINC000056998803 214399466 /nfs/dbraw/zinc/39/94/66/214399466.db2.gz CZFLWTJQELBIOX-KRWDZBQOSA-N 1 0 346.858 4.192 50 0 EIAARO COc1ccc(OC)c(CNc2[nH+]cc(-c3ccc(C)cc3)n2C)c1 ZINC000004678367 210243855 /nfs/dbraw/zinc/24/38/55/210243855.db2.gz PIELEORYRYNABK-UHFFFAOYSA-N 1 0 337.423 4.025 50 0 EIAARO CC1(C)CC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000004619774 210233350 /nfs/dbraw/zinc/23/33/50/210233350.db2.gz FYQRCRGUPBVYTH-UHFFFAOYSA-N 1 0 344.286 4.424 50 0 EIAARO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000004089643 210117605 /nfs/dbraw/zinc/11/76/05/210117605.db2.gz IWGYCEVMEKPQPP-UHFFFAOYSA-N 1 0 325.452 4.386 50 0 biogenic EIAARO O=C(CC12CC3CC(CC(C3)C1)C2)OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004027673 210103664 /nfs/dbraw/zinc/10/36/64/210103664.db2.gz KOIVYNLRZMNEAK-GKHXVQBSSA-N 1 0 345.527 4.401 50 0 biogenic EIAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000003904794 210090330 /nfs/dbraw/zinc/09/03/30/210090330.db2.gz ALSKJBPWZSRVLV-KURKYZTESA-N 1 0 336.479 4.133 50 0 EIAARO CCCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)c3c(C)noc3C)c2C1 ZINC000066513252 215049633 /nfs/dbraw/zinc/04/96/33/215049633.db2.gz FIRGRVFVZQBJGS-ZDUSSCGKSA-N 1 0 341.455 4.149 50 0 EIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000003588676 210059449 /nfs/dbraw/zinc/05/94/49/210059449.db2.gz KVSLVYBGLKKWLD-UHFFFAOYSA-N 1 0 333.545 4.197 50 0 EIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc2c(s1)CCC2 ZINC000003432692 210037446 /nfs/dbraw/zinc/03/74/46/210037446.db2.gz NNNYKSDGAKKJSY-UHFFFAOYSA-N 1 0 346.540 4.155 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000003304502 210002118 /nfs/dbraw/zinc/00/21/18/210002118.db2.gz YJNUSYXLPUIDNG-CALCHBBNSA-N 1 0 338.451 4.395 50 0 EIAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)c(C)c1 ZINC000003058396 209958734 /nfs/dbraw/zinc/95/87/34/209958734.db2.gz STINECUBUPCQSN-UHFFFAOYSA-N 1 0 345.556 4.339 50 0 EIAARO CC(C)C[NH+](CC(C)C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000002988713 209950936 /nfs/dbraw/zinc/95/09/36/209950936.db2.gz BEDDGJVDIQPLEL-IBGZPJMESA-N 1 0 335.532 4.338 50 0 EIAARO CC(C)c1cc(C2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)[nH]n1 ZINC000067756452 215205210 /nfs/dbraw/zinc/20/52/10/215205210.db2.gz DKKDFCCALLYDNJ-UHFFFAOYSA-N 1 0 349.482 4.098 50 0 EIAARO COc1cc(Oc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1OC ZINC000067790797 215214335 /nfs/dbraw/zinc/21/43/35/215214335.db2.gz NGVIQCUJIOQTDH-UHFFFAOYSA-N 1 0 343.423 4.101 50 0 EIAARO Fc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000002843006 209927327 /nfs/dbraw/zinc/92/73/27/209927327.db2.gz MGPRIISQUGCRKP-UHFFFAOYSA-N 1 0 343.899 4.032 50 0 EIAARO CC(C)c1cc(C2CC[NH+](Cc3cccn3-c3cccnc3)CC2)[nH]n1 ZINC000067908778 215247517 /nfs/dbraw/zinc/24/75/17/215247517.db2.gz BSUJNFQOUUKTSR-UHFFFAOYSA-N 1 0 349.482 4.098 50 0 EIAARO C[NH+](C)C1(CNC(=O)Nc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000002617461 209873688 /nfs/dbraw/zinc/87/36/88/209873688.db2.gz IWELQSHVPXXCIO-UHFFFAOYSA-N 1 0 344.286 4.379 50 0 EIAARO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccc(F)cc2F)c1 ZINC000040145457 213272473 /nfs/dbraw/zinc/27/24/73/213272473.db2.gz FTNSVMYJUHBXAW-UHFFFAOYSA-N 1 0 347.409 4.128 50 0 EIAARO Fc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c(F)c1 ZINC000039769816 213242108 /nfs/dbraw/zinc/24/21/08/213242108.db2.gz VOXCPUZBKUNEOO-UXHICEINSA-N 1 0 334.454 4.194 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)C1(c2cccs2)CCCC1)c1ccsc1 ZINC000038673308 213220663 /nfs/dbraw/zinc/22/06/63/213220663.db2.gz ACOSDVGQGJRCLJ-OAHLLOKOSA-N 1 0 348.537 4.041 50 0 EIAARO CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037560467 213156164 /nfs/dbraw/zinc/15/61/64/213156164.db2.gz YALCSLQSHFTYFN-UHFFFAOYSA-N 1 0 340.442 4.152 50 0 EIAARO OCCCC[N@@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072121674 216015497 /nfs/dbraw/zinc/01/54/97/216015497.db2.gz ASOZNSONVFRYFY-OAHLLOKOSA-N 1 0 329.406 4.123 50 0 EIAARO CC(C)C[NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1 ZINC000036154234 213074282 /nfs/dbraw/zinc/07/42/82/213074282.db2.gz HTTZUCOKLALNLO-UHFFFAOYSA-N 1 0 347.871 4.051 50 0 EIAARO Cc1ccccc1-c1csc2[nH]c(C[NH2+]CCC(C)C)nc(=O)c12 ZINC000036154266 213074305 /nfs/dbraw/zinc/07/43/05/213074305.db2.gz BKDICVGFBUYLIX-UHFFFAOYSA-N 1 0 341.480 4.096 50 0 EIAARO Cc1ccc(-c2nccn2[C@@H]2CC[N@@H+](C)C[C@@H]2Cc2ccccc2)o1 ZINC000072142124 216027720 /nfs/dbraw/zinc/02/77/20/216027720.db2.gz ZVRSKIXJFJSRLP-RBUKOAKNSA-N 1 0 335.451 4.187 50 0 EIAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072142936 216028016 /nfs/dbraw/zinc/02/80/16/216028016.db2.gz XOSGBUQDCWJRQN-BXBHGGAKSA-N 1 0 329.488 4.363 50 0 EIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000000317711 209534743 /nfs/dbraw/zinc/53/47/43/209534743.db2.gz QYZBCJYLCZHUKA-KNTRCKAVSA-N 1 0 340.511 4.060 50 0 EIAARO O=C(Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000072406769 216196709 /nfs/dbraw/zinc/19/67/09/216196709.db2.gz DCVXSGAFZWIEPK-FQEVSTJZSA-N 1 0 344.458 4.259 50 0 EIAARO Cc1ccc([C@@H](Cn2ccnc2-c2cccc(F)c2F)[NH+](C)C)o1 ZINC000072419997 216209075 /nfs/dbraw/zinc/20/90/75/216209075.db2.gz IARVUPQUWTYGAR-OAHLLOKOSA-N 1 0 331.366 4.033 50 0 EIAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cn3cccn3)c2)c1 ZINC000072422756 216211774 /nfs/dbraw/zinc/21/17/74/216211774.db2.gz NESKCLXIDZJXQF-QFIPXVFZSA-N 1 0 347.462 4.277 50 0 EIAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccccc3OC)c2c1 ZINC000000081036 209407536 /nfs/dbraw/zinc/40/75/36/209407536.db2.gz LIIFMWYUUONDLP-UHFFFAOYSA-N 1 0 336.391 4.472 50 0 EIAARO O=C(Nc1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000000066413 209397087 /nfs/dbraw/zinc/39/70/87/209397087.db2.gz WFUDCKRXGABLPG-UHFFFAOYSA-N 1 0 343.858 4.080 50 0 EIAARO CCCNC(=[NH2+])c1c(C)nccc1-c1ccc(Br)cc1 ZINC000072447016 216236138 /nfs/dbraw/zinc/23/61/38/216236138.db2.gz JMYICBZMSDCETK-UHFFFAOYSA-N 1 0 332.245 4.144 50 0 EIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000072469417 216249325 /nfs/dbraw/zinc/24/93/25/216249325.db2.gz NLASTAVKDDIERN-FQEVSTJZSA-N 1 0 332.447 4.085 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1)c1ccccc1Cl ZINC000027578778 212566697 /nfs/dbraw/zinc/56/66/97/212566697.db2.gz SJECBYCVETZLLB-LJQANCHMSA-N 1 0 344.886 4.082 50 0 EIAARO COc1ccccc1CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000023280666 212366704 /nfs/dbraw/zinc/36/67/04/212366704.db2.gz YNWXGDYKFPKTME-CQSZACIVSA-N 1 0 337.385 4.477 50 0 EIAARO Cc1ccccc1Oc1ncccc1CNC1CC[NH+](C(C)C)CC1 ZINC000023338299 212369278 /nfs/dbraw/zinc/36/92/78/212369278.db2.gz HUXSYORBZWBMJS-UHFFFAOYSA-N 1 0 339.483 4.145 50 0 EIAARO CCOc1cc(CNc2[nH+]cc(-c3ccc(C)cc3)n2C)ccc1O ZINC000023170912 212356536 /nfs/dbraw/zinc/35/65/36/212356536.db2.gz LESXJAGTOHSPCR-UHFFFAOYSA-N 1 0 337.423 4.112 50 0 EIAARO COc1cc(OC)c(C[NH2+][C@@H](C)c2cc(C)ccc2C)c(OC)c1 ZINC000022786419 212324801 /nfs/dbraw/zinc/32/48/01/212324801.db2.gz MGAUGHKHDYPOKZ-HNNXBMFYSA-N 1 0 329.440 4.180 50 0 EIAARO COc1cc(C[NH2+][C@H](C)CC(C)(C)c2ccc(C)o2)cc(OC)c1 ZINC000022077590 212277292 /nfs/dbraw/zinc/27/72/92/212277292.db2.gz NDDGNRPPHSAHAL-CQSZACIVSA-N 1 0 331.456 4.451 50 0 EIAARO COCC[N@@H+](Cc1cccc2c3ccccc3oc21)C[C@@H]1CCCO1 ZINC000215066659 241106335 /nfs/dbraw/zinc/10/63/35/241106335.db2.gz NUPCFGZWHPLKQO-KRWDZBQOSA-N 1 0 339.435 4.213 50 0 EIAARO CCn1ccc2c1cccc2C[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000215238505 241114276 /nfs/dbraw/zinc/11/42/76/241114276.db2.gz FATJBTJXIBCIOC-FQEVSTJZSA-N 1 0 349.478 4.237 50 0 EIAARO C[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC[NH2+]1 ZINC000021948290 212266501 /nfs/dbraw/zinc/26/65/01/212266501.db2.gz VYUQPZHRDKLOPX-HXUWFJFHSA-N 1 0 342.486 4.272 50 0 EIAARO CCOc1cc([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)ccc1O ZINC000021658079 212237821 /nfs/dbraw/zinc/23/78/21/212237821.db2.gz QOGYIGMISCWRSF-GOSISDBHSA-N 1 0 342.826 4.161 50 0 EIAARO Brc1ccc2[nH]c(C[N@@H+]3CC[C@H]4CCCC[C@H]43)nc2c1 ZINC000230142326 242240576 /nfs/dbraw/zinc/24/05/76/242240576.db2.gz BBEKGSQQVIMMNP-IAQYHMDHSA-N 1 0 334.261 4.090 50 0 EIAARO C[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)(C)C[NH+](C)C ZINC000076091954 216710479 /nfs/dbraw/zinc/71/04/79/216710479.db2.gz JRFTUAVOCSOEDB-JTQLQIEISA-N 1 0 332.275 4.091 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)c(F)c1 ZINC000020997495 212196803 /nfs/dbraw/zinc/19/68/03/212196803.db2.gz ZKQVNEURHANVFR-MRXNPFEDSA-N 1 0 345.462 4.136 50 0 EIAARO CC[C@@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868798 212180968 /nfs/dbraw/zinc/18/09/68/212180968.db2.gz KAYFXOWCCDAIGV-FCHUYYIVSA-N 1 0 339.479 4.260 50 0 EIAARO CCN1CC[NH+](CCCCOc2ccc(C(C)(C)C)cc2C)CC1 ZINC000020390103 212124343 /nfs/dbraw/zinc/12/43/43/212124343.db2.gz SHKUUAMJPVSMNB-UHFFFAOYSA-N 1 0 332.532 4.089 50 0 EIAARO Clc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000020358201 212122816 /nfs/dbraw/zinc/12/28/16/212122816.db2.gz MQPKSHNJHJHMPA-NHCUHLMSSA-N 1 0 340.898 4.308 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000019990565 212092792 /nfs/dbraw/zinc/09/27/92/212092792.db2.gz DHFKOHSBFPYHRO-SFHVURJKSA-N 1 0 327.811 4.423 50 0 EIAARO Cc1nc(C)c(-c2cccc(-c3ccn(CCC[NH+](C)C)n3)c2)s1 ZINC000019940102 212088721 /nfs/dbraw/zinc/08/87/21/212088721.db2.gz MRGHAMWOMBBAOP-UHFFFAOYSA-N 1 0 340.496 4.242 50 0 EIAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000019782068 212066327 /nfs/dbraw/zinc/06/63/27/212066327.db2.gz KGBYHODQBBPBQV-OAHLLOKOSA-N 1 0 333.426 4.266 50 0 EIAARO Clc1cccc(Cl)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019633804 212053110 /nfs/dbraw/zinc/05/31/10/212053110.db2.gz SLBZXVVFZPJITM-UHFFFAOYSA-N 1 0 335.278 4.311 50 0 EIAARO OCC1(Cc2ccc(Cl)cc2)CC[NH+](CCc2ccccc2)CC1 ZINC000019300362 212014246 /nfs/dbraw/zinc/01/42/46/212014246.db2.gz MANUMIUQGHBKNN-UHFFFAOYSA-N 1 0 343.898 4.200 50 0 EIAARO Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]Cc2ccncc2)cc1 ZINC000078552700 217074218 /nfs/dbraw/zinc/07/42/18/217074218.db2.gz VZGIYBDCZCUQDQ-HXUWFJFHSA-N 1 0 346.409 4.102 50 0 EIAARO CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000015831508 211857710 /nfs/dbraw/zinc/85/77/10/211857710.db2.gz LIRCLKQCUHTKNQ-FQEVSTJZSA-N 1 0 342.527 4.465 50 0 EIAARO Cc1c2ccc3ccccc3c2oc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000014197373 211707646 /nfs/dbraw/zinc/70/76/46/211707646.db2.gz PULYIROWORCWLZ-UHFFFAOYSA-N 1 0 348.446 4.251 50 0 EIAARO OCCCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000013726845 211623824 /nfs/dbraw/zinc/62/38/24/211623824.db2.gz BDSBMPNGFQINGY-UHFFFAOYSA-N 1 0 333.859 4.171 50 0 EIAARO O[C@H](C[NH2+]C1CCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421959 211376742 /nfs/dbraw/zinc/37/67/42/211376742.db2.gz HYLHIIQLLYTSNA-OAHLLOKOSA-N 1 0 346.902 4.067 50 0 EIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000012441524 211383304 /nfs/dbraw/zinc/38/33/04/211383304.db2.gz OQPLGNISNWHIEG-ZCHVWDMZSA-N 1 0 335.491 4.407 50 0 EIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000012441526 211383006 /nfs/dbraw/zinc/38/30/06/211383006.db2.gz OQPLGNISNWHIEG-ZFLSFVSKSA-N 1 0 335.491 4.407 50 0 EIAARO CCC(=O)N1CC[C@@H]([NH2+]Cc2csc3ccccc23)[C@H](CC)C1 ZINC000089949173 217895272 /nfs/dbraw/zinc/89/52/72/217895272.db2.gz OPTASWMFBKSHDM-RHSMWYFYSA-N 1 0 330.497 4.028 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)cc1O ZINC000012319705 211344361 /nfs/dbraw/zinc/34/43/61/211344361.db2.gz NOMMNZQFRKCLSG-IBGZPJMESA-N 1 0 340.467 4.094 50 0 EIAARO c1cc(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)n(-c2nccs2)c1 ZINC000011938623 211271885 /nfs/dbraw/zinc/27/18/85/211271885.db2.gz HVDVNMUZBSAZHK-KRWDZBQOSA-N 1 0 338.480 4.010 50 0 EIAARO CCn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091452087 218008087 /nfs/dbraw/zinc/00/80/87/218008087.db2.gz BYATUTZXMXUBNJ-OAHLLOKOSA-N 1 0 337.389 4.301 50 0 EIAARO C[NH+](C)C1(CNC(=O)Nc2cccc3ccccc32)CCCCC1 ZINC000011004760 211199592 /nfs/dbraw/zinc/19/95/92/211199592.db2.gz RDEUGJVQILOGMQ-UHFFFAOYSA-N 1 0 325.456 4.226 50 0 EIAARO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)cc1Cl ZINC000010310981 211161750 /nfs/dbraw/zinc/16/17/50/211161750.db2.gz RNSUTFSTMOQXNR-GOSISDBHSA-N 1 0 328.843 4.424 50 0 EIAARO C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1NCc1ccco1 ZINC000009434873 211082733 /nfs/dbraw/zinc/08/27/33/211082733.db2.gz DKJYZTVZGIUPOS-FOIQADDNSA-N 1 0 336.435 4.169 50 0 EIAARO Cc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc1 ZINC000008862594 211012949 /nfs/dbraw/zinc/01/29/49/211012949.db2.gz HVTXPSVQUJGXOM-QGZVFWFLSA-N 1 0 329.469 4.015 50 0 EIAARO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095401047 218335417 /nfs/dbraw/zinc/33/54/17/218335417.db2.gz WYOQIJNWQJCASY-YPMHNXCESA-N 1 0 331.466 4.238 50 0 EIAARO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095401049 218335796 /nfs/dbraw/zinc/33/57/96/218335796.db2.gz WYOQIJNWQJCASY-DGCLKSJQSA-N 1 0 331.466 4.238 50 0 EIAARO COc1ccc([C@H](C)[NH2+]CC2(c3ccccc3)CC2)cc1NC(C)=O ZINC000095419851 218359674 /nfs/dbraw/zinc/35/96/74/218359674.db2.gz COLJQTJHFJLSNB-HNNXBMFYSA-N 1 0 338.451 4.036 50 0 EIAARO COc1cccc(C[NH2+]Cc2ccc(Cl)c3cccnc23)c1OC ZINC000095415415 218353271 /nfs/dbraw/zinc/35/32/71/218353271.db2.gz APMZXDZULQNFIO-UHFFFAOYSA-N 1 0 342.826 4.195 50 0 EIAARO CSCC[C@H]([NH2+][C@@H](C)c1cccc(C)c1)c1nnc2ccccn21 ZINC000095419561 218359962 /nfs/dbraw/zinc/35/99/62/218359962.db2.gz KVQVFBJSCAZXGB-RDJZCZTQSA-N 1 0 340.496 4.183 50 0 EIAARO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccccc1OC(F)F ZINC000095419989 218360450 /nfs/dbraw/zinc/36/04/50/218360450.db2.gz OWPWMIUQAZSDTN-AWEZNQCLSA-N 1 0 347.409 4.134 50 0 EIAARO c1cn(Cc2ccc(C[NH2+][C@H]3CCSc4ccccc43)cc2)cn1 ZINC000095420156 218360515 /nfs/dbraw/zinc/36/05/15/218360515.db2.gz ADZVKHKUAOJZKV-IBGZPJMESA-N 1 0 335.476 4.258 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(COC(C)C)c2)c1 ZINC000095420470 218360689 /nfs/dbraw/zinc/36/06/89/218360689.db2.gz VQHKZLDNJMCOLK-INIZCTEOSA-N 1 0 340.467 4.421 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(OC(C)C)c(F)c2)c1 ZINC000095422039 218364196 /nfs/dbraw/zinc/36/41/96/218364196.db2.gz RJTDZPMWZGVWEO-AWEZNQCLSA-N 1 0 344.430 4.422 50 0 EIAARO CSC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000095423531 218366238 /nfs/dbraw/zinc/36/62/38/218366238.db2.gz SSCZKMBUFLZEBG-NSHDSACASA-N 1 0 348.434 4.154 50 0 EIAARO Cc1noc(C)c1CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000095423667 218366266 /nfs/dbraw/zinc/36/62/66/218366266.db2.gz GVHQHCLLGYCFSL-SFHVURJKSA-N 1 0 326.440 4.260 50 0 EIAARO CCOc1cc(C[NH2+]Cc2cccs2)cc(Cl)c1OCC ZINC000005019265 210364486 /nfs/dbraw/zinc/36/44/86/210364486.db2.gz AWHWPSKYLWKFMQ-UHFFFAOYSA-N 1 0 325.861 4.489 50 0 EIAARO CCCCCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)cc1 ZINC000004988007 210351472 /nfs/dbraw/zinc/35/14/72/210351472.db2.gz BDDGVQWUFQGKSV-IBGZPJMESA-N 1 0 347.499 4.421 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(Br)cc2Cl)C1 ZINC000004914037 210320888 /nfs/dbraw/zinc/32/08/88/210320888.db2.gz UHCPLTZEQRQLPP-RYUDHWBXSA-N 1 0 346.696 4.459 50 0 EIAARO CC(C)c1cc(CN(C)Cc2cc(C[NH+]3CCCC3)cs2)no1 ZINC000097370275 219015901 /nfs/dbraw/zinc/01/59/01/219015901.db2.gz MKFFNKYIVGDRFM-UHFFFAOYSA-N 1 0 333.501 4.087 50 0 EIAARO CC1(C)CC(NC(=S)Nc2cccc3ccccc32)CC(C)(C)[NH2+]1 ZINC000004818747 210286866 /nfs/dbraw/zinc/28/68/66/210286866.db2.gz YNPHGOXZVYZRFM-UHFFFAOYSA-N 1 0 341.524 4.435 50 0 EIAARO C[C@H](c1ccc(-c2ncc(F)c(N3CCCC3)n2)cc1)[NH+]1CCCC1 ZINC000097568929 219035735 /nfs/dbraw/zinc/03/57/35/219035735.db2.gz MPDWILASVVQHIY-OAHLLOKOSA-N 1 0 340.446 4.040 50 0 EIAARO O=C(CC[NH+]1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000000073766 258047541 /nfs/dbraw/zinc/04/75/41/258047541.db2.gz VVSLUBIQMFSLRU-UHFFFAOYSA-N 1 0 349.887 4.278 50 0 EIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2)N1Cc1ccc(Cl)cc1 ZINC000299770876 258083784 /nfs/dbraw/zinc/08/37/84/258083784.db2.gz NRFTWJDRVXQOOK-IBGZPJMESA-N 1 0 342.870 4.011 50 0 EIAARO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000095459056 258067191 /nfs/dbraw/zinc/06/71/91/258067191.db2.gz KNTBNDQNQAETKB-SUMWQHHRSA-N 1 0 348.512 4.315 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 ZINC000057369635 132200178 /nfs/dbraw/zinc/20/01/78/132200178.db2.gz GSANSHMHDXCJMM-UZLBHIALSA-N 1 0 334.463 4.022 50 0 EIAARO CCC[N@@H+](Cc1ccc(C)s1)C[C@@H](O)COc1ccccc1C ZINC000036101497 521683193 /nfs/dbraw/zinc/68/31/93/521683193.db2.gz ZKESOYJUWCWXMJ-QGZVFWFLSA-N 1 0 333.497 4.017 50 0 EIAARO CCN(CCC[NH+](C)C)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000170605325 528440388 /nfs/dbraw/zinc/44/03/88/528440388.db2.gz XJHMLNSYGDCPNZ-UHFFFAOYSA-N 1 0 337.467 4.063 50 0 EIAARO COc1ccc(C[NH2+][C@H]2CC(C)(C)OC[C@@H]2Cc2ccccc2)cc1 ZINC000000197364 563258033 /nfs/dbraw/zinc/25/80/33/563258033.db2.gz YXAXNNGFZSMSET-FPOVZHCZSA-N 1 0 339.479 4.211 50 0 EIAARO C[C@H](C[NH+]1CCCCC1)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000000550705 563344888 /nfs/dbraw/zinc/34/48/88/563344888.db2.gz IZESOZHYTXOOBW-GOSISDBHSA-N 1 0 337.463 4.236 50 0 EIAARO CCC[NH+]1CCC(NC(=S)Nc2ccc([C@@H](C)CC)cc2)CC1 ZINC000002857944 563456761 /nfs/dbraw/zinc/45/67/61/563456761.db2.gz OGXPXIBOSCLNSV-HNNXBMFYSA-N 1 0 333.545 4.361 50 0 EIAARO Cc1cc(Br)ccc1OCCC[NH+]1CCC(C)CC1 ZINC000003001255 563469166 /nfs/dbraw/zinc/46/91/66/563469166.db2.gz GSGYNZVPLUKBBW-UHFFFAOYSA-N 1 0 326.278 4.258 50 0 EIAARO CCc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006700000 563579382 /nfs/dbraw/zinc/57/93/82/563579382.db2.gz YAFKXMOIGGNTOU-UHFFFAOYSA-N 1 0 337.467 4.035 50 0 EIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2ccco2)CC1 ZINC000012711705 563668747 /nfs/dbraw/zinc/66/87/47/563668747.db2.gz UUTFUVYLHJJDFQ-UHFFFAOYSA-N 1 0 341.451 4.058 50 0 EIAARO c1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)cc2c1[nH]c1c2CCCC1 ZINC000012717340 563669018 /nfs/dbraw/zinc/66/90/18/563669018.db2.gz DJQNGBPCDYTVMG-UHFFFAOYSA-N 1 0 348.446 4.108 50 0 EIAARO Cc1ccccc1C[N@@H+]1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012761750 563670596 /nfs/dbraw/zinc/67/05/96/563670596.db2.gz LDFGEXFIRVWMMU-OAQYLSRUSA-N 1 0 343.898 4.466 50 0 EIAARO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)COCc1ccccc1Cl ZINC000012973794 563679821 /nfs/dbraw/zinc/67/98/21/563679821.db2.gz DZGLRRIOCGEZEE-IBGZPJMESA-N 1 0 347.886 4.128 50 0 EIAARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000014979830 563769874 /nfs/dbraw/zinc/76/98/74/563769874.db2.gz BODMMEJPDMPSCC-KRWDZBQOSA-N 1 0 343.854 4.444 50 0 EIAARO CC(C)=CCC[C@@H](C)C[NH+]1CCC(CCC(=O)N2CCCC2)CC1 ZINC000015073016 563775949 /nfs/dbraw/zinc/77/59/49/563775949.db2.gz KQVJFCWZXVQXBW-LJQANCHMSA-N 1 0 334.548 4.484 50 0 EIAARO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000015634700 563789097 /nfs/dbraw/zinc/78/90/97/563789097.db2.gz BKXIJSTVKQIFLU-YOHGGFGZSA-N 1 0 349.559 4.235 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)c1ccccc1)c1ccccc1 ZINC000032903886 563789537 /nfs/dbraw/zinc/78/95/37/563789537.db2.gz LYYDTACEWCLSHC-FQEVSTJZSA-N 1 0 338.495 4.164 50 0 EIAARO Cc1cc(N(C)Cc2ccccc2N2CCOCC2)c2ccccc2[nH+]1 ZINC000032902984 563789905 /nfs/dbraw/zinc/78/99/05/563789905.db2.gz HFBCLRJEBNBBKE-UHFFFAOYSA-N 1 0 347.462 4.016 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000016480403 563812843 /nfs/dbraw/zinc/81/28/43/563812843.db2.gz PJFCCGOBCVOMPV-QFIPXVFZSA-N 1 0 333.431 4.089 50 0 EIAARO COc1cccc(NC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000016551478 563814496 /nfs/dbraw/zinc/81/44/96/563814496.db2.gz ZMHBIWJVVDGUGF-UHFFFAOYSA-N 1 0 339.439 4.325 50 0 EIAARO Fc1cc(C[NH+]2CCCCC2)c2c(c1)CO[C@H](c1ccccc1)O2 ZINC000016699008 563821530 /nfs/dbraw/zinc/82/15/30/563821530.db2.gz BICCBKXFTNQVHV-FQEVSTJZSA-N 1 0 327.399 4.419 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000017067854 563831959 /nfs/dbraw/zinc/83/19/59/563831959.db2.gz AFCRRNYVMAZKBE-BETUJISGSA-N 1 0 330.453 4.302 50 0 EIAARO Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000017070673 563833278 /nfs/dbraw/zinc/83/32/78/563833278.db2.gz FCBALOICTOLOND-UHFFFAOYSA-N 1 0 335.879 4.131 50 0 EIAARO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)c2ccccc12 ZINC000019633838 563856234 /nfs/dbraw/zinc/85/62/34/563856234.db2.gz DSFKKSILLCYFBF-UHFFFAOYSA-N 1 0 346.474 4.479 50 0 EIAARO C[C@H](C1CC1)[N@H+](CC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000024673530 563874217 /nfs/dbraw/zinc/87/42/17/563874217.db2.gz GMPZXMGBSODXDZ-OAHLLOKOSA-N 1 0 326.415 4.065 50 0 EIAARO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2Cl)CCCCCC1 ZINC000025443404 563884742 /nfs/dbraw/zinc/88/47/42/563884742.db2.gz ALEDKMSRXSYOPL-UHFFFAOYSA-N 1 0 343.298 4.378 50 0 EIAARO CCC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000025562303 563885960 /nfs/dbraw/zinc/88/59/60/563885960.db2.gz JUSYZCSBLWQLDA-SJORKVTESA-N 1 0 330.497 4.051 50 0 EIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1ccccc1Cl ZINC000027580715 563896841 /nfs/dbraw/zinc/89/68/41/563896841.db2.gz AYRJBIDAZBOUBY-INIZCTEOSA-N 1 0 348.899 4.359 50 0 EIAARO CC(C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582797 563897143 /nfs/dbraw/zinc/89/71/43/563897143.db2.gz FUHNXFAVYLKWQY-SFHVURJKSA-N 1 0 336.907 4.419 50 0 EIAARO Cc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027582034 563897152 /nfs/dbraw/zinc/89/71/52/563897152.db2.gz PZCPZPZBJAZLGJ-QGZVFWFLSA-N 1 0 328.481 4.014 50 0 EIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000027662740 563898389 /nfs/dbraw/zinc/89/83/89/563898389.db2.gz UWDFFFFXPJUQKD-QGZVFWFLSA-N 1 0 346.471 4.234 50 0 EIAARO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000028291360 563902192 /nfs/dbraw/zinc/90/21/92/563902192.db2.gz QSVDKBIDUWZSCG-GOSISDBHSA-N 1 0 342.508 4.260 50 0 EIAARO C[C@H](C1CC1)[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccccc1 ZINC000029841861 563908662 /nfs/dbraw/zinc/90/86/62/563908662.db2.gz XWMSKZKMOZMBNV-CQSZACIVSA-N 1 0 344.405 4.204 50 0 EIAARO CCSCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072305339 563914568 /nfs/dbraw/zinc/91/45/68/563914568.db2.gz VSPYRXCJWRUCSS-OAHLLOKOSA-N 1 0 344.565 4.097 50 0 EIAARO COc1cc(OC)c(C[NH2+][C@@H]2CCCC[C@H]2C)cc1Br ZINC000000183543 563917022 /nfs/dbraw/zinc/91/70/22/563917022.db2.gz AREXKMGOXFFPOL-BXUZGUMPSA-N 1 0 342.277 4.135 50 0 EIAARO COc1cc2c(cc1OC)C[N@@H+]([C@H](C)CCc1ccccc1)CC2 ZINC000023283592 563919416 /nfs/dbraw/zinc/91/94/16/563919416.db2.gz PAAGEPWOGWIBJB-MRXNPFEDSA-N 1 0 325.452 4.083 50 0 EIAARO O=C(CN1CCc2ccccc2C1)n1c2ccccc2c2ccccc21 ZINC000034847906 563919842 /nfs/dbraw/zinc/91/98/42/563919842.db2.gz XLSMWDIZRJAEJI-UHFFFAOYSA-N 1 0 340.426 4.493 50 0 EIAARO CCOC(=O)CCCCCC(=O)c1ccccc1C[NH+]1CCCCC1 ZINC000043211550 563925398 /nfs/dbraw/zinc/92/53/98/563925398.db2.gz KFSNGQFBEFMZBQ-UHFFFAOYSA-N 1 0 345.483 4.369 50 0 EIAARO CSc1cccc(NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000058152349 563937915 /nfs/dbraw/zinc/93/79/15/563937915.db2.gz XXLIMTWNZXENOG-KRWDZBQOSA-N 1 0 335.517 4.041 50 0 EIAARO Cc1ccc(NC(=O)c2cn(CC[NH+](C)C)c3ccccc23)c(C)c1 ZINC000058152510 563937929 /nfs/dbraw/zinc/93/79/29/563937929.db2.gz ACYLXFGNFXKICO-UHFFFAOYSA-N 1 0 335.451 4.072 50 0 EIAARO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000058345328 563943299 /nfs/dbraw/zinc/94/32/99/563943299.db2.gz VLOQQAOSZMHKHR-HNAYVOBHSA-N 1 0 342.870 4.182 50 0 EIAARO C[C@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000058391949 563944485 /nfs/dbraw/zinc/94/44/85/563944485.db2.gz KHKOKUQVFXDINV-OAHLLOKOSA-N 1 0 332.463 4.048 50 0 EIAARO c1cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cs1 ZINC000062259679 563952551 /nfs/dbraw/zinc/95/25/51/563952551.db2.gz YSWXPRMHQVWRSQ-UHFFFAOYSA-N 1 0 329.494 4.116 50 0 EIAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000065410300 563960468 /nfs/dbraw/zinc/96/04/68/563960468.db2.gz LMRFCCRAPREINB-QGZVFWFLSA-N 1 0 349.434 4.166 50 0 EIAARO FC(F)(F)c1cccc(CC[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1 ZINC000071405839 563964283 /nfs/dbraw/zinc/96/42/83/563964283.db2.gz VRMCLMTWLFQGGD-HNNXBMFYSA-N 1 0 337.389 4.273 50 0 EIAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000071707917 563964760 /nfs/dbraw/zinc/96/47/60/563964760.db2.gz XBHADYVJZHULPH-INIZCTEOSA-N 1 0 336.435 4.008 50 0 EIAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071736536 563964929 /nfs/dbraw/zinc/96/49/29/563964929.db2.gz KSKJWNDJMPZQIC-KRWDZBQOSA-N 1 0 343.442 4.385 50 0 EIAARO C[C@H](c1nccn1C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000071751355 563965142 /nfs/dbraw/zinc/96/51/42/563965142.db2.gz RBEJIRJUAVBVPO-SFHVURJKSA-N 1 0 346.478 4.267 50 0 EIAARO CCc1nccc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)n1 ZINC000071758809 563965308 /nfs/dbraw/zinc/96/53/08/563965308.db2.gz COSSIWMQLOQEEY-OAHLLOKOSA-N 1 0 345.437 4.162 50 0 EIAARO CC(C)(C)[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccc2ccccc2n1 ZINC000071767416 563965543 /nfs/dbraw/zinc/96/55/43/563965543.db2.gz ININYCUHIGCQCT-OAQYLSRUSA-N 1 0 348.490 4.439 50 0 EIAARO Cc1ncc([C@@H](C)[NH2+]Cc2ccnc(OC3CCCCC3)c2)c(C)n1 ZINC000097016714 563966792 /nfs/dbraw/zinc/96/67/92/563966792.db2.gz OUUHHJAXWSOZOP-CQSZACIVSA-N 1 0 340.471 4.051 50 0 EIAARO c1ccc2sc([C@H]3CCC[N@H+]3Cc3cccc4nonc43)nc2c1 ZINC000077320051 563968944 /nfs/dbraw/zinc/96/89/44/563968944.db2.gz RIGZUVYMMRKONX-OAHLLOKOSA-N 1 0 336.420 4.170 50 0 EIAARO Cc1ccsc1-c1nccn1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC000077358436 563969183 /nfs/dbraw/zinc/96/91/83/563969183.db2.gz KOPOGCJMZSVBEN-OAHLLOKOSA-N 1 0 327.453 4.350 50 0 EIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000077379502 563969257 /nfs/dbraw/zinc/96/92/57/563969257.db2.gz MZHHWXOABWIAHW-SGSXCFNPSA-N 1 0 327.447 4.289 50 0 EIAARO c1cn(CC2CC2)c([C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000082099866 563972278 /nfs/dbraw/zinc/97/22/78/563972278.db2.gz MSYSQNVXCJKLRE-QGZVFWFLSA-N 1 0 332.451 4.225 50 0 EIAARO O[C@@H]1C[N@H+](Cc2ccc3c(c2)Cc2ccccc2-3)Cc2ccccc21 ZINC000082127233 563972579 /nfs/dbraw/zinc/97/25/79/563972579.db2.gz GPPYDZMJBMXQNQ-HSZRJFAPSA-N 1 0 327.427 4.307 50 0 EIAARO Cc1cc(C)c(C[NH+]2CCC3(CC2)Nc2ccccc2NC3=O)cc1C ZINC000082139173 563972675 /nfs/dbraw/zinc/97/26/75/563972675.db2.gz NKKLNMIFSFFUQV-UHFFFAOYSA-N 1 0 349.478 4.011 50 0 EIAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000247156768 563974751 /nfs/dbraw/zinc/97/47/51/563974751.db2.gz RUCICVQYYCWHHY-ZRIXJBFPSA-N 1 0 345.455 4.018 50 0 EIAARO Cc1cc(C)c(NC(=S)N2CCC([N@@H+](C)C(C)C)CC2)c(C)c1 ZINC000000261069 563989676 /nfs/dbraw/zinc/98/96/76/563989676.db2.gz LSTVELRXLCWZHT-UHFFFAOYSA-N 1 0 333.545 4.113 50 0 EIAARO C[C@@H]1CCCC[C@H]1[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000300533 563990835 /nfs/dbraw/zinc/99/08/35/563990835.db2.gz XCNCPQPAEDAPFL-DYESRHJHSA-N 1 0 336.479 4.176 50 0 EIAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000257365558 563993345 /nfs/dbraw/zinc/99/33/45/563993345.db2.gz PSAMANHUXSNCAO-RNRVQEDPSA-N 1 0 347.890 4.119 50 0 EIAARO Cc1sc(NC(=O)c2ccc(F)cc2)c(C[NH+]2CCCC2)c1C ZINC000000387208 563993557 /nfs/dbraw/zinc/99/35/57/563993557.db2.gz VFOXKDZDMIBSDF-UHFFFAOYSA-N 1 0 332.444 4.352 50 0 EIAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000248142357 563995334 /nfs/dbraw/zinc/99/53/34/563995334.db2.gz QRSBEGZJEAHYSN-BEFAXECRSA-N 1 0 335.451 4.223 50 0 EIAARO CCc1nc([C@@H](C)[N@H+](C)CC2(O)CCCC2)oc1-c1ccccc1 ZINC000152007034 564004979 /nfs/dbraw/zinc/00/49/79/564004979.db2.gz FBQVSQGVCAJDHE-OAHLLOKOSA-N 1 0 328.456 4.202 50 0 EIAARO COc1ccc(C[C@@H]([NH2+]Cc2ccccn2)c2ccc(OC)cc2)cc1 ZINC000017317778 564011644 /nfs/dbraw/zinc/01/16/44/564011644.db2.gz KUKJALMYICAZFF-JOCHJYFZSA-N 1 0 348.446 4.172 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1OCc1ccccc1 ZINC000108160556 564023987 /nfs/dbraw/zinc/02/39/87/564023987.db2.gz QJBBUCADNSODJC-ZHALLVOQSA-N 1 0 325.452 4.484 50 0 EIAARO O[C@@H]1CCC[C@H](C[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000108373341 564028184 /nfs/dbraw/zinc/02/81/84/564028184.db2.gz RTUWWBKEHHZFEW-JCURWCKSSA-N 1 0 338.289 4.041 50 0 EIAARO CCC[C@H](C)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000048230356 564030242 /nfs/dbraw/zinc/03/02/42/564030242.db2.gz LIYPWUKKVRARJW-VIFPVBQESA-N 1 0 344.278 4.181 50 0 EIAARO O[C@@H](C[N@H+](Cc1cccs1)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000048252598 564030464 /nfs/dbraw/zinc/03/04/64/564030464.db2.gz AJBZTCLRXUIIOQ-INIZCTEOSA-N 1 0 341.398 4.465 50 0 EIAARO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000048274520 564030576 /nfs/dbraw/zinc/03/05/76/564030576.db2.gz MAKCTTXFVIULRW-IBGZPJMESA-N 1 0 344.474 4.044 50 0 EIAARO O=C(Nc1ccc(Cl)cc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000048343450 564031277 /nfs/dbraw/zinc/03/12/77/564031277.db2.gz BZNGDXZXBNJRSF-HNNXBMFYSA-N 1 0 346.833 4.330 50 0 EIAARO Ic1ccc2scc(C[NH+]3CCCC3)c2c1 ZINC000005770955 564034449 /nfs/dbraw/zinc/03/44/49/564034449.db2.gz MEDXQXQBYMGTCZ-UHFFFAOYSA-N 1 0 343.233 4.102 50 0 EIAARO Cc1cccc(Cn2nc(C[NH2+]C3CCCC3)c(-c3ccccc3)n2)c1 ZINC000247897819 564052816 /nfs/dbraw/zinc/05/28/16/564052816.db2.gz HRHUNEPEOLFBPA-UHFFFAOYSA-N 1 0 346.478 4.334 50 0 EIAARO CC[C@H](C)[NH2+]Cc1nn(Cc2ccc(C)cc2)nc1-c1ccccc1 ZINC000248070487 564052927 /nfs/dbraw/zinc/05/29/27/564052927.db2.gz GBUCTTRBTMQHMR-KRWDZBQOSA-N 1 0 334.467 4.190 50 0 EIAARO C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211391 564058513 /nfs/dbraw/zinc/05/85/13/564058513.db2.gz ZFIGNLOEBSAXKI-CXAGYDPISA-N 1 0 348.899 4.357 50 0 EIAARO CC[NH+](CC)CCOC(=O)[C@@](C)(c1ccccc1)C1CCCCC1 ZINC000003609601 564060039 /nfs/dbraw/zinc/06/00/39/564060039.db2.gz KFFUMWAFMBSHHP-NRFANRHFSA-N 1 0 331.500 4.410 50 0 EIAARO CCOc1ccc(-c2ccc(SCC[NH+]3CCCCC3)nn2)cc1 ZINC000005410588 564060957 /nfs/dbraw/zinc/06/09/57/564060957.db2.gz AIMKSSCHKNLLJG-UHFFFAOYSA-N 1 0 343.496 4.120 50 0 EIAARO Cc1cc(-c2ccc(C(=O)N(C)C[C@H]3CCCC[N@@H+]3C)cc2)cs1 ZINC000534585908 564061156 /nfs/dbraw/zinc/06/11/56/564061156.db2.gz ZUWGRYAEOREWEQ-LJQANCHMSA-N 1 0 342.508 4.280 50 0 EIAARO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000084225445 564067449 /nfs/dbraw/zinc/06/74/49/564067449.db2.gz AVTOQKCDIIRURG-VQTJNVASSA-N 1 0 343.442 4.019 50 0 EIAARO c1csc(-c2noc(C[N@H+]3CCC[C@H]3Cc3ccccc3)n2)c1 ZINC000012777970 564069676 /nfs/dbraw/zinc/06/96/76/564069676.db2.gz DNOIOFCZRLEFTP-HNNXBMFYSA-N 1 0 325.437 4.005 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000015837289 564076491 /nfs/dbraw/zinc/07/64/91/564076491.db2.gz KCQBHLJJXOKNKO-KRWDZBQOSA-N 1 0 345.414 4.189 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000015837468 564076537 /nfs/dbraw/zinc/07/65/37/564076537.db2.gz BAJCUAUWPBIIMB-QGZVFWFLSA-N 1 0 345.414 4.189 50 0 EIAARO Cc1ccc2nc(C)c(C(=O)N(CC[NH+](C)C)c3ccccc3)cc2c1 ZINC000063829344 564079592 /nfs/dbraw/zinc/07/95/92/564079592.db2.gz ABEPECAXSXDZLF-UHFFFAOYSA-N 1 0 347.462 4.060 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCC[C@](O)(c1ccccc1)c1cccnc1 ZINC000102196795 564083236 /nfs/dbraw/zinc/08/32/36/564083236.db2.gz NPQAWCNDVWTXAM-JQVVWYNYSA-N 1 0 338.495 4.361 50 0 EIAARO C[C@@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000064140251 564085262 /nfs/dbraw/zinc/08/52/62/564085262.db2.gz RSFJPGCTBXODFE-VIFPVBQESA-N 1 0 326.227 4.274 50 0 EIAARO CCc1noc(CC)c1C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000089280201 564088746 /nfs/dbraw/zinc/08/87/46/564088746.db2.gz VNYRNLBXALEVJA-UHFFFAOYSA-N 1 0 329.831 4.291 50 0 EIAARO CCc1cnc(CN(C)CCCC(=O)Nc2c(C)cccc2C)s1 ZINC000089289665 564089427 /nfs/dbraw/zinc/08/94/27/564089427.db2.gz LZWJIDMFNRLEBL-UHFFFAOYSA-N 1 0 345.512 4.173 50 0 EIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000006594384 564092541 /nfs/dbraw/zinc/09/25/41/564092541.db2.gz FIAQLVNIDDNTTK-OAHLLOKOSA-N 1 0 347.871 4.208 50 0 EIAARO O=C(Nc1cccc(C[NH2+][C@H]2CCCc3occc32)c1)c1ccncc1 ZINC000192709936 564092875 /nfs/dbraw/zinc/09/28/75/564092875.db2.gz XTHZBDOJETZSML-IBGZPJMESA-N 1 0 347.418 4.094 50 0 EIAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036100607 564096149 /nfs/dbraw/zinc/09/61/49/564096149.db2.gz WMPXQGYFLUJXCG-LJQANCHMSA-N 1 0 347.886 4.300 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1C ZINC000006877341 564100369 /nfs/dbraw/zinc/10/03/69/564100369.db2.gz CFTZFDSDGNHBCQ-UHFFFAOYSA-N 1 0 343.515 4.423 50 0 EIAARO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc(-c2cccnc2)no1 ZINC000065286076 564104357 /nfs/dbraw/zinc/10/43/57/564104357.db2.gz GGXRTAQILCOINR-GOSISDBHSA-N 1 0 334.423 4.167 50 0 EIAARO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000170627497 564110459 /nfs/dbraw/zinc/11/04/59/564110459.db2.gz VCBHKISVLGILGC-OAHLLOKOSA-N 1 0 342.270 4.086 50 0 EIAARO Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000089827824 564114073 /nfs/dbraw/zinc/11/40/73/564114073.db2.gz AOIWXGOTERAUCY-UWJYYQICSA-N 1 0 336.410 4.241 50 0 EIAARO Fc1cc(C[NH2+]CCc2nc(-c3ccncc3)cs2)ccc1Cl ZINC000076020659 564114581 /nfs/dbraw/zinc/11/45/81/564114581.db2.gz HCMMXXJBFJAQES-UHFFFAOYSA-N 1 0 347.846 4.330 50 0 EIAARO CCC(=O)N1CC[C@H]([NH2+]Cc2csc3ccccc23)[C@H](CC)C1 ZINC000089949171 564115849 /nfs/dbraw/zinc/11/58/49/564115849.db2.gz OPTASWMFBKSHDM-PBHICJAKSA-N 1 0 330.497 4.028 50 0 EIAARO CSC1(C[NH2+][C@H](C)c2sc(C(C)C)nc2C)CCOCC1 ZINC000090112982 564116286 /nfs/dbraw/zinc/11/62/86/564116286.db2.gz PLNYTCCRJLUIBF-GFCCVEGCSA-N 1 0 328.547 4.138 50 0 EIAARO C[C@H](Oc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027143431 564117938 /nfs/dbraw/zinc/11/79/38/564117938.db2.gz DMDBBFSSKQNPTL-KRWDZBQOSA-N 1 0 338.451 4.079 50 0 EIAARO [NH3+]Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000252507323 564119947 /nfs/dbraw/zinc/11/99/47/564119947.db2.gz WHDIPNHIOLAPQR-UHFFFAOYSA-N 1 0 343.839 4.175 50 0 EIAARO C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc(Cl)cs1 ZINC000194429717 564120514 /nfs/dbraw/zinc/12/05/14/564120514.db2.gz SXRANUOJLBQLQR-GIPWTMENSA-N 1 0 327.902 4.332 50 0 EIAARO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C(C)(C)Cc2ccccc2)cc1 ZINC000095462736 564140867 /nfs/dbraw/zinc/14/08/67/564140867.db2.gz FQJGSGQCOHMUDB-MRXNPFEDSA-N 1 0 345.508 4.152 50 0 EIAARO COc1cccc(N2CCC([NH2+]C(C)(C)Cc3ccccc3)CC2)c1 ZINC000095462735 564140883 /nfs/dbraw/zinc/14/08/83/564140883.db2.gz DKRKNPGXNIRTEQ-UHFFFAOYSA-N 1 0 338.495 4.275 50 0 EIAARO C[C@](O)(C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000095467445 564141108 /nfs/dbraw/zinc/14/11/08/564141108.db2.gz DTQBCYIHDQFTNM-RTWAWAEBSA-N 1 0 343.417 4.398 50 0 EIAARO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000095967974 564143111 /nfs/dbraw/zinc/14/31/11/564143111.db2.gz UUVHILTUIKMJJT-ZDUSSCGKSA-N 1 0 346.496 4.471 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+][C@H]3CCO[C@]4(CCSC4)C3)oc21 ZINC000095988098 564144065 /nfs/dbraw/zinc/14/40/65/564144065.db2.gz AYNGBCPHNOORSQ-ZUEVXXBESA-N 1 0 347.480 4.147 50 0 EIAARO Cc1ccc2ncc(C[NH2+][C@@H]3CCCOc4cc(Cl)ccc43)n2c1 ZINC000095989230 564144079 /nfs/dbraw/zinc/14/40/79/564144079.db2.gz DHMUFGJUTCXJKS-QGZVFWFLSA-N 1 0 341.842 4.300 50 0 EIAARO CCCCSc1ccccc1N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000096026568 564144958 /nfs/dbraw/zinc/14/49/58/564144958.db2.gz IRNIUSIEMBTWJH-IEBWSBKVSA-N 1 0 348.556 4.004 50 0 EIAARO CCOc1ccccc1OCC[NH2+]CCCC1=CCc2ccccc21 ZINC000096027325 564145020 /nfs/dbraw/zinc/14/50/20/564145020.db2.gz OZVJABFRTRQAGW-UHFFFAOYSA-N 1 0 337.463 4.474 50 0 EIAARO Cc1ccc([C@H]2CN(C(=O)CC(C)C)C[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000096281441 564146382 /nfs/dbraw/zinc/14/63/82/564146382.db2.gz MKYXODPCJOUVMB-LEWJYISDSA-N 1 0 342.527 4.069 50 0 EIAARO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000096477815 564148499 /nfs/dbraw/zinc/14/84/99/564148499.db2.gz HIPXPRGUIYLXAL-AYOQOUSVSA-N 1 0 341.524 4.021 50 0 EIAARO CCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000002922732 564153092 /nfs/dbraw/zinc/15/30/92/564153092.db2.gz AVOHPWHGCOAMEF-RTWAWAEBSA-N 1 0 327.468 4.028 50 0 EIAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@H]1c1ccccc1 ZINC000057153807 564153323 /nfs/dbraw/zinc/15/33/23/564153323.db2.gz YJZKQOYMBHATCO-QFIPXVFZSA-N 1 0 348.490 4.262 50 0 EIAARO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@H]3c3ccccc3)cc(=O)oc12 ZINC000057536126 564154874 /nfs/dbraw/zinc/15/48/74/564154874.db2.gz ALNZQUPDMFFBHN-SFHVURJKSA-N 1 0 335.403 4.144 50 0 EIAARO C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003215693 564156072 /nfs/dbraw/zinc/15/60/72/564156072.db2.gz WMBXQZYSDAJXAQ-GUYCJALGSA-N 1 0 348.899 4.357 50 0 EIAARO Fc1ccc(N2CC[NH+](Cc3csc4c3CCCC4)CC2)cc1 ZINC000057992714 564157051 /nfs/dbraw/zinc/15/70/51/564157051.db2.gz CKDJXTXYBLNKGA-UHFFFAOYSA-N 1 0 330.472 4.088 50 0 EIAARO CCOc1ccc(NC(=O)C[NH2+][C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000008003743 564162050 /nfs/dbraw/zinc/16/20/50/564162050.db2.gz KRUKICWJTOVQJQ-FQEVSTJZSA-N 1 0 344.430 4.150 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)[C@H]1CCCc2ccccc21 ZINC000008266672 564163853 /nfs/dbraw/zinc/16/38/53/564163853.db2.gz WQIDDIHNXZMZHP-INIZCTEOSA-N 1 0 348.368 4.052 50 0 EIAARO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000008312719 564164214 /nfs/dbraw/zinc/16/42/14/564164214.db2.gz HGMXXNKEKYBTSA-SFHVURJKSA-N 1 0 336.479 4.013 50 0 EIAARO CC(C)(C)c1cc(C[NH2+]C2CCC(O)CC2)cc(C(C)(C)C)c1O ZINC000008328872 564164527 /nfs/dbraw/zinc/16/45/27/564164527.db2.gz VPKFFXDLWDTEQN-UHFFFAOYSA-N 1 0 333.516 4.380 50 0 EIAARO COc1cc(OC)c2[nH]c(C)c(C[N@H+](C)C3CCCCC3)c(=O)c2c1 ZINC000008717258 564166725 /nfs/dbraw/zinc/16/67/25/564166725.db2.gz HXOIINJOYIRQJR-UHFFFAOYSA-N 1 0 344.455 4.031 50 0 EIAARO CC[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c2c(OC)ccc(OC)c2c1=O ZINC000008717352 564166734 /nfs/dbraw/zinc/16/67/34/564166734.db2.gz SQRGGYCQLWZVPR-AWEZNQCLSA-N 1 0 344.455 4.031 50 0 EIAARO COc1ccc(OCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000008742755 564167175 /nfs/dbraw/zinc/16/71/75/564167175.db2.gz UFWYUIILNHQFIM-NRFANRHFSA-N 1 0 340.467 4.476 50 0 biogenic EIAARO C[NH+](C)CCc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000069739488 564171866 /nfs/dbraw/zinc/17/18/66/564171866.db2.gz OMMGTRYENPJJPR-UHFFFAOYSA-N 1 0 343.496 4.049 50 0 EIAARO COc1ccc(NC(=[NH2+])SCc2ccc(-n3cccn3)cc2)cc1 ZINC000071797892 564175401 /nfs/dbraw/zinc/17/54/01/564175401.db2.gz PFVMLYHAXNZSSQ-UHFFFAOYSA-N 1 0 338.436 4.161 50 0 EIAARO CCc1ccc(C[NH2+]C[C@@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000071798761 564175428 /nfs/dbraw/zinc/17/54/28/564175428.db2.gz QCSQSLXFZOLVSA-QFIPXVFZSA-N 1 0 338.495 4.184 50 0 EIAARO C(=C/c1ccc(OCC[NH+]2CCCC2)cc1)\c1nc2ccccc2o1 ZINC000071802735 564175489 /nfs/dbraw/zinc/17/54/89/564175489.db2.gz AREREGONGZYYCW-FMIVXFBMSA-N 1 0 334.419 4.473 50 0 EIAARO FC(F)(F)CN1CC[C@@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000071845391 564175952 /nfs/dbraw/zinc/17/59/52/564175952.db2.gz MBDWZUGKENPMIX-GOSISDBHSA-N 1 0 334.385 4.080 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCSc3ccccc32)o1 ZINC000042956909 564176025 /nfs/dbraw/zinc/17/60/25/564176025.db2.gz IZEXMNCFHXTVTH-OAHLLOKOSA-N 1 0 325.437 4.305 50 0 EIAARO COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)[NH2+]CC2 ZINC000022018367 1020870647 /nfs/dbraw/zinc/87/06/47/1020870647.db2.gz VWRZKNBJHMIEMQ-KRWDZBQOSA-N 1 0 338.234 4.246 50 0 EIAARO [NH3+]Cc1cc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)co1 ZINC000187289995 1021041305 /nfs/dbraw/zinc/04/13/05/1021041305.db2.gz RYBMUEAOZZLHJL-HXUWFJFHSA-N 1 0 346.386 4.004 50 0 EIAARO Cc1cc(Cl)c(OCCOCC[NH+]2CCC(C)CC2)c(Cl)c1 ZINC000022184637 1021328240 /nfs/dbraw/zinc/32/82/40/1021328240.db2.gz CFBZBNNODNMASA-UHFFFAOYSA-N 1 0 346.298 4.429 50 0 EIAARO Cc1cnc([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815758 1021884374 /nfs/dbraw/zinc/88/43/74/1021884374.db2.gz IHWXTPDTNSXNIT-OAQYLSRUSA-N 1 0 331.463 4.229 50 0 EIAARO CC[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(C)cc1 ZINC000193849887 1022804531 /nfs/dbraw/zinc/80/45/31/1022804531.db2.gz XVEKJVRLBBUAES-SFHVURJKSA-N 1 0 331.504 4.008 50 0 EIAARO C[NH+](C)C[C@H](NC(=O)/C=C\c1cccc2ccccc12)c1ccccc1 ZINC000098004020 1023194035 /nfs/dbraw/zinc/19/40/35/1023194035.db2.gz GLSARPJENNLTOL-SRNWCRMJSA-N 1 0 344.458 4.272 50 0 EIAARO O[C@@H](C[NH2+]C1CCCCC1)COc1ccc(-c2ccccc2)cc1 ZINC000004279614 1023890783 /nfs/dbraw/zinc/89/07/83/1023890783.db2.gz JJAAIENUQPAXII-FQEVSTJZSA-N 1 0 325.452 4.016 50 0 EIAARO C[C@@H]([NH2+][C@@H](C)c1ccc(C(F)F)nc1)c1ccc(-n2ccnn2)cc1 ZINC000657933273 1030629166 /nfs/dbraw/zinc/62/91/66/1030629166.db2.gz QILVBNFPFCEJQT-OLZOCXBDSA-N 1 0 343.381 4.012 50 0 EIAARO CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000257370771 1034630763 /nfs/dbraw/zinc/63/07/63/1034630763.db2.gz LWGWUPUIDWATSH-OTWHNJEPSA-N 1 0 328.500 4.040 50 0 EIAARO CC(C)C[N@@H+]1C[C@H](c2nc(-c3ccccc3)no2)C2(CCCC2)C1 ZINC000257175681 1036176757 /nfs/dbraw/zinc/17/67/57/1036176757.db2.gz QOEOOZLKNAUCEI-QGZVFWFLSA-N 1 0 325.456 4.352 50 0 EIAARO CC(C)[N@@H+]1CC2(CC[NH+](Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000257183164 1036309856 /nfs/dbraw/zinc/30/98/56/1036309856.db2.gz HGDYZVJLAJVBSU-NRFANRHFSA-N 1 0 335.495 4.129 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)c2cc3ccccc3s2)CC1 ZINC000171543542 1037471195 /nfs/dbraw/zinc/47/11/95/1037471195.db2.gz FUYYXFOJEMANHG-AWEZNQCLSA-N 1 0 345.512 4.134 50 0 EIAARO c1coc([C@H](CC[NH2+]C2CSCCSC2)c2ccccc2)c1 ZINC000820424923 1043857462 /nfs/dbraw/zinc/85/74/62/1043857462.db2.gz KTBJKGQBNLSQRU-QGZVFWFLSA-N 1 0 333.522 4.240 50 0 EIAARO C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)[C@@H]1COc2ccccc2O1 ZINC000012383356 1045134933 /nfs/dbraw/zinc/13/49/33/1045134933.db2.gz OHTRLVBZKDEHOY-UWJYYQICSA-N 1 0 337.463 4.317 50 0 EIAARO Cc1ccc(C(=O)N2CCC[C@H](n3c(C)c[nH+]c3C3CCC3)C2)s1 ZINC000575547590 1045257139 /nfs/dbraw/zinc/25/71/39/1045257139.db2.gz KJJIYTMGIBGDJV-INIZCTEOSA-N 1 0 343.496 4.306 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1[C@@H]1CCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000575551843 1045257899 /nfs/dbraw/zinc/25/78/99/1045257899.db2.gz ULRCGWIOFLPGQJ-MRXNPFEDSA-N 1 0 348.450 4.028 50 0 EIAARO O[C@]12CCCC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000043155973 1049009395 /nfs/dbraw/zinc/00/93/95/1049009395.db2.gz XSKNHOKETLLVAN-FSSWDIPSSA-N 1 0 337.463 4.221 50 0 EIAARO Cc1cc(C[NH2+][C@H](c2nccn2C)C2CC2)ccc1Oc1cccnc1 ZINC000353039134 1049201605 /nfs/dbraw/zinc/20/16/05/1049201605.db2.gz PBRAKUWQOZHFGS-FQEVSTJZSA-N 1 0 348.450 4.157 50 0 EIAARO CCCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2-n2nc(C)cc2C)C1 ZINC000952969591 1049683423 /nfs/dbraw/zinc/68/34/23/1049683423.db2.gz BWEXAPGIWSZVGN-IBGZPJMESA-N 1 0 345.462 4.019 50 0 EIAARO COc1ccc2[nH]c(C[NH2+]Cc3ccc([C@@H]4CCCCO4)o3)cc2c1 ZINC000952966355 1049684261 /nfs/dbraw/zinc/68/42/61/1049684261.db2.gz VMEWXKLOIYRRMD-IBGZPJMESA-N 1 0 340.423 4.301 50 0 EIAARO C[N@@H+]1CCC[C@@H]1CCn1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000065427965 1059932685 /nfs/dbraw/zinc/93/26/85/1059932685.db2.gz DOLUSHLCTWGDBN-LJQANCHMSA-N 1 0 332.451 4.096 50 0 EIAARO CC(C)[N@@H+]1CC2(CCN(C(=O)C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000581802723 1060004667 /nfs/dbraw/zinc/00/46/67/1060004667.db2.gz OQGUQSMPSGDMFN-HXUWFJFHSA-N 1 0 340.511 4.251 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000581805513 1060016480 /nfs/dbraw/zinc/01/64/80/1060016480.db2.gz BBFPVWVHOCUZEN-SFHVURJKSA-N 1 0 348.450 4.028 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC000581807905 1060019639 /nfs/dbraw/zinc/01/96/39/1060019639.db2.gz HHQBNDISWFYGLP-UHFFFAOYSA-N 1 0 343.515 4.278 50 0 EIAARO Cc1nccn1CC[N@@H+](C)C[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000097604268 219041201 /nfs/dbraw/zinc/04/12/01/219041201.db2.gz FSHQETYHOUTJFD-QFIPXVFZSA-N 1 0 345.490 4.130 50 0 EIAARO c1coc(-c2cc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)no2)c1 ZINC000052611737 214136334 /nfs/dbraw/zinc/13/63/34/214136334.db2.gz WPLZUKGXCZBTLW-CQSZACIVSA-N 1 0 349.390 4.455 50 0 EIAARO CCC[N@H+](Cc1ccc(SC)cc1)Cc1cccc(OCCO)c1 ZINC000055035940 214265837 /nfs/dbraw/zinc/26/58/37/214265837.db2.gz UFOQSSXRDVIEAK-UHFFFAOYSA-N 1 0 345.508 4.192 50 0 EIAARO CC(C)(COC(=O)c1cccs1)[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004694134 210249662 /nfs/dbraw/zinc/24/96/62/210249662.db2.gz UKZJFCRQJQQEBC-UHFFFAOYSA-N 1 0 333.497 4.242 50 0 EIAARO C[C@H](c1ccc(C(=O)NCc2cccc(Cl)c2)o1)[NH+]1CCCCC1 ZINC000097772763 219055583 /nfs/dbraw/zinc/05/55/83/219055583.db2.gz QYAARRFMQBTAAP-CQSZACIVSA-N 1 0 346.858 4.410 50 0 EIAARO CC[C@@H](CO)[N@H+](Cc1cccs1)Cc1cnc2ccccc2c1 ZINC000055309934 214304915 /nfs/dbraw/zinc/30/49/15/214304915.db2.gz JWLQLZZCRVHAKZ-KRWDZBQOSA-N 1 0 326.465 4.069 50 0 EIAARO CCOc1ccc(CNc2[nH+]cc(-c3ccc(OC)cc3)n2C)cc1 ZINC000004678673 210245340 /nfs/dbraw/zinc/24/53/40/210245340.db2.gz CLSQJAPGWYQBOQ-UHFFFAOYSA-N 1 0 337.423 4.107 50 0 EIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(F)cc2)N3)C1 ZINC000004554041 210220229 /nfs/dbraw/zinc/22/02/29/210220229.db2.gz ZDDJCQPFKWLWQJ-INIZCTEOSA-N 1 0 345.443 4.083 50 0 EIAARO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)s1 ZINC000178089608 529729775 /nfs/dbraw/zinc/72/97/75/529729775.db2.gz YDZQZOMMEFMCHJ-ZDUSSCGKSA-N 1 0 326.469 4.050 50 0 EIAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccc(C)cc1 ZINC000004413621 210188598 /nfs/dbraw/zinc/18/85/98/210188598.db2.gz WMCFRPXUXXZYMI-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO O[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)Cn1ccc2ccccc21 ZINC000004307255 210166072 /nfs/dbraw/zinc/16/60/72/210166072.db2.gz VNALUZQJUWTCND-OAHLLOKOSA-N 1 0 349.261 4.099 50 0 EIAARO Cc1ccc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000003264907 209991816 /nfs/dbraw/zinc/99/18/16/209991816.db2.gz WSZYXNJFDLZEKL-XJKSGUPXSA-N 1 0 334.510 4.073 50 0 EIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cc(C)ccc2C)CC1 ZINC000003060198 209959867 /nfs/dbraw/zinc/95/98/67/209959867.db2.gz BCXNMLDNLMGDRA-INIZCTEOSA-N 1 0 333.545 4.195 50 0 EIAARO CCC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042775251 213532970 /nfs/dbraw/zinc/53/29/70/213532970.db2.gz QYWVWLFQWAKBIJ-ZDUSSCGKSA-N 1 0 326.278 4.268 50 0 EIAARO Cc1cc(C)cc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)c1 ZINC000003058437 209958691 /nfs/dbraw/zinc/95/86/91/209958691.db2.gz PIYFHQFTFIETEN-UHFFFAOYSA-N 1 0 345.556 4.339 50 0 EIAARO CC[C@H](O)C[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067691144 215185511 /nfs/dbraw/zinc/18/55/11/215185511.db2.gz BXGINNRSQKCSJM-IBGZPJMESA-N 1 0 348.446 4.138 50 0 EIAARO Cn1cc(CCC[N@@H+]2CCc3sccc3[C@H]2c2cccs2)cn1 ZINC000040151484 213272850 /nfs/dbraw/zinc/27/28/50/213272850.db2.gz VZJKLSMYFVYJSU-SFHVURJKSA-N 1 0 343.521 4.123 50 0 EIAARO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000040091432 213263059 /nfs/dbraw/zinc/26/30/59/213263059.db2.gz XQAXVEBZRRJRCZ-UHFFFAOYSA-N 1 0 325.884 4.172 50 0 EIAARO COc1cc(C[NH2+][C@H](c2ccccc2)C(C)C)cc(OC)c1OC ZINC000039985615 213249382 /nfs/dbraw/zinc/24/93/82/213249382.db2.gz DXISTWNMQMYDLA-IBGZPJMESA-N 1 0 329.440 4.199 50 0 EIAARO c1ccc2c(c1)cccc2-c1noc2c1C[N@H+]([C@H]1CCSC1)CC2 ZINC000039430134 213236844 /nfs/dbraw/zinc/23/68/44/213236844.db2.gz FQBDLOSOFXLXBC-HNNXBMFYSA-N 1 0 336.460 4.358 50 0 EIAARO O=C1N(Cc2ccccc2)c2ccccc2[C@@]12CC[NH2+]C21CCCCC1 ZINC000000519849 209643359 /nfs/dbraw/zinc/64/33/59/209643359.db2.gz YTVJAYXPZVRGQR-QHCPKHFHSA-N 1 0 346.474 4.167 50 0 biogenic EIAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036098758 213064748 /nfs/dbraw/zinc/06/47/48/213064748.db2.gz LDZTXYQMLZPBLL-ICSRJNTNSA-N 1 0 327.468 4.035 50 0 EIAARO C[NH+](C)[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000072111956 216010401 /nfs/dbraw/zinc/01/04/01/216010401.db2.gz ZGMBBQLRRAZKBR-AWEZNQCLSA-N 1 0 343.780 4.469 50 0 EIAARO Cc1cccc([C@H]2CCC[N@H+](Cc3cnc(-c4ccco4)nc3)C2)c1 ZINC000072412015 216204265 /nfs/dbraw/zinc/20/42/65/216204265.db2.gz RHIJEFZXNNXKET-IBGZPJMESA-N 1 0 333.435 4.425 50 0 EIAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cccc(Cn3cccn3)c2)c1 ZINC000072422757 216212158 /nfs/dbraw/zinc/21/21/58/216212158.db2.gz NESKCLXIDZJXQF-JOCHJYFZSA-N 1 0 347.462 4.277 50 0 EIAARO O=C(Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072447791 216237151 /nfs/dbraw/zinc/23/71/51/216237151.db2.gz UEQXIIHLXOAPPX-HXUWFJFHSA-N 1 0 332.447 4.192 50 0 EIAARO COc1cccc2ccc(C[N@@H+]3CC[C@H](c4ccccc4F)C3)nc21 ZINC000072480057 216260180 /nfs/dbraw/zinc/26/01/80/216260180.db2.gz WSJPQTQNOUHHNR-INIZCTEOSA-N 1 0 336.410 4.372 50 0 EIAARO CCc1ccc([C@H](C)[NH2+]Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072670752 216289971 /nfs/dbraw/zinc/28/99/71/216289971.db2.gz PVDNCRYXAUTKIA-AWEZNQCLSA-N 1 0 329.440 4.126 50 0 EIAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@H]1CCc2ccccc21 ZINC000026915746 212540105 /nfs/dbraw/zinc/54/01/05/212540105.db2.gz QAJOMRQOPAKEAP-SFHVURJKSA-N 1 0 328.843 4.288 50 0 EIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000022784020 212323308 /nfs/dbraw/zinc/32/33/08/212323308.db2.gz RPYCPFOIXXUWJP-LBPRGKRZSA-N 1 0 335.831 4.217 50 0 EIAARO CCc1ccc([C@@H](CNC(=O)[C@H](CC)c2ccccc2)[NH+](C)C)cc1 ZINC000022684805 212316428 /nfs/dbraw/zinc/31/64/28/212316428.db2.gz YQOMTSRWUYFXTA-NHCUHLMSSA-N 1 0 338.495 4.162 50 0 EIAARO CN(C)CC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000022075211 212276384 /nfs/dbraw/zinc/27/63/84/212276384.db2.gz GFTUKHURUNUQDO-UHFFFAOYSA-N 1 0 334.463 4.070 50 0 EIAARO Cc1[nH]c2c(cccc2C[N@H+](C)Cc2cc(-c3cccnc3)no2)c1C ZINC000216394760 241189406 /nfs/dbraw/zinc/18/94/06/241189406.db2.gz BXZPLIBJAVCXMW-UHFFFAOYSA-N 1 0 346.434 4.467 50 0 EIAARO C[C@@H](CCN(C)Cc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCCC1 ZINC000219408680 241386347 /nfs/dbraw/zinc/38/63/47/241386347.db2.gz OOMOOYMHEPGZGX-HNNXBMFYSA-N 1 0 347.503 4.255 50 0 EIAARO CCn1ccc2c1cccc2C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000219037079 241360195 /nfs/dbraw/zinc/36/01/95/241360195.db2.gz JLJBYSLKPVYSSL-UHFFFAOYSA-N 1 0 334.463 4.145 50 0 EIAARO Cc1cc(C)cc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1 ZINC000021718081 212242827 /nfs/dbraw/zinc/24/28/27/212242827.db2.gz ZWGJPLIFOTXILS-UHFFFAOYSA-N 1 0 343.515 4.279 50 0 EIAARO O=C(Nc1cccc(Cl)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000021117113 212208722 /nfs/dbraw/zinc/20/87/22/212208722.db2.gz GTIYLZWVEHBBGZ-UHFFFAOYSA-N 1 0 349.906 4.460 50 0 EIAARO CCCO[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000020992809 212194881 /nfs/dbraw/zinc/19/48/81/212194881.db2.gz WLZGUDQGGDIPGB-KRWDZBQOSA-N 1 0 339.439 4.214 50 0 EIAARO Cc1c([C@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)cnn1C(C)C ZINC000242339176 243019623 /nfs/dbraw/zinc/01/96/23/243019623.db2.gz ZFNRVWNVGYUOSA-HNNXBMFYSA-N 1 0 342.487 4.218 50 0 EIAARO Cc1nc(CC[NH+]2CCC(Oc3cccc(Cl)c3)CC2)cs1 ZINC000020820257 212173148 /nfs/dbraw/zinc/17/31/48/212173148.db2.gz FPZYLWYGGVZLPV-UHFFFAOYSA-N 1 0 336.888 4.191 50 0 EIAARO CCN1CC[NH+](CCCCOc2c(Cl)ccc3ccccc32)CC1 ZINC000020406264 212125909 /nfs/dbraw/zinc/12/59/09/212125909.db2.gz RHDHFKCOMRFDCE-UHFFFAOYSA-N 1 0 346.902 4.290 50 0 EIAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccc4ccccc4n3)c2c1 ZINC000019798233 212069948 /nfs/dbraw/zinc/06/99/48/212069948.db2.gz OOPLEEMKZGRLAN-UHFFFAOYSA-N 1 0 345.446 4.365 50 0 EIAARO CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccccc1 ZINC000019789569 212066457 /nfs/dbraw/zinc/06/64/57/212066457.db2.gz ZVJBALIZZIYNMS-GOSISDBHSA-N 1 0 326.440 4.147 50 0 EIAARO FC(F)(F)c1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019537111 212041745 /nfs/dbraw/zinc/04/17/45/212041745.db2.gz VIMAQBCJLIBRPN-UHFFFAOYSA-N 1 0 334.385 4.023 50 0 EIAARO CCC1(CC)Cc2cc(OC)c(OC)cc2[C@H](c2ccccc2)[NH2+]1 ZINC000019205344 212004665 /nfs/dbraw/zinc/00/46/65/212004665.db2.gz OCNMIKHELOBPHD-FQEVSTJZSA-N 1 0 325.452 4.498 50 0 biogenic EIAARO Cc1n[nH]cc1C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000078553893 217074906 /nfs/dbraw/zinc/07/49/06/217074906.db2.gz ZHASOLNQJSSBID-NSHDSACASA-N 1 0 330.432 4.140 50 0 EIAARO Cc1ccccc1C(=O)NC1CC[NH+](CCCC2CCCC2)CC1 ZINC000078971030 217160336 /nfs/dbraw/zinc/16/03/36/217160336.db2.gz QPFIOONPOFOATJ-UHFFFAOYSA-N 1 0 328.500 4.160 50 0 EIAARO CCC[NH+]1CCC(NC(=O)c2csc(C)c2-c2ccccc2)CC1 ZINC000016604823 211919297 /nfs/dbraw/zinc/91/92/97/211919297.db2.gz FBMPBECADSXOPF-UHFFFAOYSA-N 1 0 342.508 4.328 50 0 EIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000012987363 211501799 /nfs/dbraw/zinc/50/17/99/211501799.db2.gz SNSXTQMXXLHJJI-GOSISDBHSA-N 1 0 343.858 4.299 50 0 EIAARO CC[NH+](CC)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000012421492 211376788 /nfs/dbraw/zinc/37/67/88/211376788.db2.gz BFGLXNCDLZFOBA-QGZVFWFLSA-N 1 0 335.532 4.363 50 0 EIAARO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCCC2)c(C(C)(C)C)c1 ZINC000012421490 211376958 /nfs/dbraw/zinc/37/69/58/211376958.db2.gz TUMCWCZQZXIOFD-KRWDZBQOSA-N 1 0 333.516 4.117 50 0 EIAARO c1ccc(Cc2noc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)n2)cc1 ZINC000012297443 211334689 /nfs/dbraw/zinc/33/46/89/211334689.db2.gz LXRRFZRRYIHCPT-SFHVURJKSA-N 1 0 325.456 4.063 50 0 EIAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H]([NH2+]C2CCSCC2)C1 ZINC000012195352 211317411 /nfs/dbraw/zinc/31/74/11/211317411.db2.gz MBOYYNVSXFWRGH-SFHVURJKSA-N 1 0 341.524 4.371 50 0 EIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000011936478 211272493 /nfs/dbraw/zinc/27/24/93/211272493.db2.gz VLOKMWRWODVLAF-IBGZPJMESA-N 1 0 327.472 4.085 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1F)c1ccccc1Cl ZINC000011917255 211269204 /nfs/dbraw/zinc/26/92/04/211269204.db2.gz JMXYKWIAVXMPQD-SFHVURJKSA-N 1 0 348.849 4.292 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1F)c1ccccc1Cl ZINC000011917256 211269280 /nfs/dbraw/zinc/26/92/80/211269280.db2.gz JMXYKWIAVXMPQD-GOSISDBHSA-N 1 0 348.849 4.292 50 0 EIAARO C[C@@H]1C[N@H+](Cc2ccc(Oc3ccccc3)cc2)CC[C@@]1(O)C1CC1 ZINC000091587206 218027353 /nfs/dbraw/zinc/02/73/53/218027353.db2.gz XZFXHCFWSPKYRG-VGSWGCGISA-N 1 0 337.463 4.462 50 0 EIAARO CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000011817412 211250022 /nfs/dbraw/zinc/25/00/22/211250022.db2.gz PREMIGFXQTXXKZ-SFHVURJKSA-N 1 0 339.439 4.077 50 0 EIAARO c1ccc(CCC[NH2+][C@@H]2CCCc3nc(-c4cccnc4)ncc32)cc1 ZINC000011816141 211249702 /nfs/dbraw/zinc/24/97/02/211249702.db2.gz ZITKNBWJDNKWPD-HXUWFJFHSA-N 1 0 344.462 4.138 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000010310938 211161081 /nfs/dbraw/zinc/16/10/81/211161081.db2.gz UCUCWPMRHLQUQF-GOSISDBHSA-N 1 0 328.843 4.424 50 0 EIAARO COc1ccc(NC(=O)c2ccc(C[N@H+](C)C3CCCC3)cc2)cc1 ZINC000010219980 211154211 /nfs/dbraw/zinc/15/42/11/211154211.db2.gz SKAMZFQSLRAPJG-UHFFFAOYSA-N 1 0 338.451 4.322 50 0 EIAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000010351353 211167056 /nfs/dbraw/zinc/16/70/56/211167056.db2.gz XWHIIZYNRPQHRQ-FOIQADDNSA-N 1 0 338.451 4.072 50 0 EIAARO CC(C)[NH+]1CCC(CC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)CC1 ZINC000095355892 218289529 /nfs/dbraw/zinc/28/95/29/218289529.db2.gz QIHLAHZKWXHTBY-IBGZPJMESA-N 1 0 345.531 4.186 50 0 EIAARO CCc1ncc(C[NH2+][C@@H](Cc2ccc(C)cc2)c2cccnc2)s1 ZINC000095409419 218345562 /nfs/dbraw/zinc/34/55/62/218345562.db2.gz MKSFUCZHNKXEDD-IBGZPJMESA-N 1 0 337.492 4.483 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1 ZINC000095420350 218360882 /nfs/dbraw/zinc/36/08/82/218360882.db2.gz LBNNGXYOAXEMNQ-MRXNPFEDSA-N 1 0 328.419 4.271 50 0 EIAARO CNC(=O)c1cccc(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)c1 ZINC000095420987 218361727 /nfs/dbraw/zinc/36/17/27/218361727.db2.gz UQRXRRGFFHUQRK-MRXNPFEDSA-N 1 0 346.883 4.026 50 0 EIAARO C[C@@H]([NH2+]C1CCN(c2ccc(C(C)(C)C)cc2)CC1)c1cnccn1 ZINC000095420753 218361912 /nfs/dbraw/zinc/36/19/12/218361912.db2.gz SOALOQDCJYUZLI-MRXNPFEDSA-N 1 0 338.499 4.094 50 0 EIAARO CC[C@H]([NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1)c1cccs1 ZINC000095420840 218362392 /nfs/dbraw/zinc/36/23/92/218362392.db2.gz IDPAVSGUUHVFCG-IRXDYDNUSA-N 1 0 344.480 4.107 50 0 EIAARO O=C(Nc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1)c1ccncc1 ZINC000095421443 218362573 /nfs/dbraw/zinc/36/25/73/218362573.db2.gz QBPHPQLFAKQNSR-OAQYLSRUSA-N 1 0 343.430 4.111 50 0 EIAARO CCC(CC)n1ccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)n1 ZINC000095428584 218370829 /nfs/dbraw/zinc/37/08/29/218370829.db2.gz KVUXZLHJPOJJFC-UHFFFAOYSA-N 1 0 340.471 4.092 50 0 EIAARO Cc1cc(C)n2c(C[NH2+][C@H](c3cccnc3)C3CCCCC3)cnc2n1 ZINC000095430369 218372563 /nfs/dbraw/zinc/37/25/63/218372563.db2.gz CCNQTUSUCHFIJJ-FQEVSTJZSA-N 1 0 349.482 4.152 50 0 EIAARO COc1ccc(CC[NH2+][C@@H](C)CC(C)(C)c2ccc(C)o2)cc1OC ZINC000005020455 210363977 /nfs/dbraw/zinc/36/39/77/210363977.db2.gz IFRIVNSINOMKHH-HNNXBMFYSA-N 1 0 345.483 4.494 50 0 EIAARO Brc1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1 ZINC000004998568 210353685 /nfs/dbraw/zinc/35/36/85/210353685.db2.gz SCWCCTFNTBCYMB-UHFFFAOYSA-N 1 0 343.224 4.394 50 0 EIAARO C[C@@H]1CCC[N@H+](CCOCCOc2ccccc2-c2ccccc2)C1 ZINC000004907493 210318647 /nfs/dbraw/zinc/31/86/47/210318647.db2.gz PSCYBUVYHUPSDO-LJQANCHMSA-N 1 0 339.479 4.481 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOCCOc2cccc3ccccc32)C1 ZINC000004907330 210318752 /nfs/dbraw/zinc/31/87/52/210318752.db2.gz WRHRLSUFTVSSCS-HDICACEKSA-N 1 0 327.468 4.213 50 0 EIAARO COCCC[NH2+]CCCCOc1ccc(OCc2ccccc2)cc1 ZINC000004845300 210297818 /nfs/dbraw/zinc/29/78/18/210297818.db2.gz WRKNSUKDZOPSOP-UHFFFAOYSA-N 1 0 343.467 4.051 50 0 EIAARO O=C([C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCCCC1 ZINC000004746203 210269169 /nfs/dbraw/zinc/26/91/69/210269169.db2.gz DKAZKQVGVCZXNP-HXUWFJFHSA-N 1 0 336.479 4.064 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000004748885 210268798 /nfs/dbraw/zinc/26/87/98/210268798.db2.gz WZBIBCPXHOHVLA-UHFFFAOYSA-N 1 0 335.879 4.131 50 0 EIAARO CC[C@@H]1C[N@H+](Cc2cccc3cccnc32)Cc2cc(OC)ccc2O1 ZINC000299767054 258081243 /nfs/dbraw/zinc/08/12/43/258081243.db2.gz BLOUNCBUOBHQQZ-LJQANCHMSA-N 1 0 348.446 4.417 50 0 EIAARO CC(C)n1cc(C[NH2+]CCc2nc3ccccc3[nH]2)c2ccccc21 ZINC000248021491 517497129 /nfs/dbraw/zinc/49/71/29/517497129.db2.gz URGZFTHMKUDTBM-UHFFFAOYSA-N 1 0 332.451 4.431 50 0 EIAARO CC(=O)c1ccc2c(c1)N(CCC[NH+](C)C)c1ccccc1S2 ZINC000000057198 518414696 /nfs/dbraw/zinc/41/46/96/518414696.db2.gz NOSIYYJFMPDDSA-UHFFFAOYSA-N 1 0 326.465 4.444 50 0 world EIAARO CC1CC[NH+](CCOCCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000003003188 521016243 /nfs/dbraw/zinc/01/62/43/521016243.db2.gz IIFAYBSJYULNSP-UHFFFAOYSA-N 1 0 332.271 4.121 50 0 EIAARO Fc1ccccc1Cn1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000247496008 526413067 /nfs/dbraw/zinc/41/30/67/526413067.db2.gz CXRIWZCUQFSYRE-SFHVURJKSA-N 1 0 338.426 4.097 50 0 EIAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCCn2nc([C@H](O)C3CC3)cc2C1 ZINC000219018016 535346390 /nfs/dbraw/zinc/34/63/90/535346390.db2.gz RBEWMZCBLKEWJC-AKCCUMBPSA-N 1 0 343.515 4.225 50 0 EIAARO CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1(C)C ZINC000230153246 535372003 /nfs/dbraw/zinc/37/20/03/535372003.db2.gz VINKXWSOYAMQEJ-VAMGGRTRSA-N 1 0 346.559 4.195 50 0 EIAARO CCOC(=O)C1CC[NH+](CCCSc2ccc(Cl)cc2)CC1 ZINC000006704071 563581314 /nfs/dbraw/zinc/58/13/14/563581314.db2.gz KMHCWJDROUBKMS-UHFFFAOYSA-N 1 0 341.904 4.097 50 0 EIAARO c1ccc(CC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000000200213 563258776 /nfs/dbraw/zinc/25/87/76/563258776.db2.gz XCHZJXXJXZTARJ-UHFFFAOYSA-N 1 0 333.435 4.191 50 0 EIAARO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000000239067 563264553 /nfs/dbraw/zinc/26/45/53/563264553.db2.gz NKZHGVWUFZATPU-UHFFFAOYSA-N 1 0 348.490 4.444 50 0 EIAARO C[NH+]1CCC(c2ccc3c(c2)CSc2sccc2C3=O)CC1 ZINC000000347398 563287979 /nfs/dbraw/zinc/28/79/79/563287979.db2.gz BVHKZXBRUYQOSI-UHFFFAOYSA-N 1 0 329.490 4.394 50 0 EIAARO C[C@@H]1CN(C(=O)Nc2ccccc2)c2ccccc2-[n+]2ccsc21 ZINC000000384209 563300928 /nfs/dbraw/zinc/30/09/28/563300928.db2.gz QUXUFNCBEDLNNP-CQSZACIVSA-O 1 0 336.440 4.180 50 0 EIAARO COc1ccc(N(C(=O)c2ccccc2)C2=C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000001198898 563378786 /nfs/dbraw/zinc/37/87/86/563378786.db2.gz HVSYUYPUZPNNHK-MOPGFXCFSA-N 1 0 348.446 4.092 50 0 EIAARO Brc1ccccc1OCCCC[NH+]1CCCCCC1 ZINC000002839067 563454312 /nfs/dbraw/zinc/45/43/12/563454312.db2.gz NFHNVFLDLCFLCD-UHFFFAOYSA-N 1 0 326.278 4.484 50 0 EIAARO Brc1cccc(OCCCC[NH+]2CCCCCC2)c1 ZINC000002839818 563454598 /nfs/dbraw/zinc/45/45/98/563454598.db2.gz YUGZWPCOYGEVRA-UHFFFAOYSA-N 1 0 326.278 4.484 50 0 EIAARO CC[NH+](CC)C/C=C/c1c(F)c(F)c(NCCCOC)c(F)c1F ZINC000002863068 563457518 /nfs/dbraw/zinc/45/75/18/563457518.db2.gz IHJCOKYJJIXGSB-SOFGYWHQSA-N 1 0 348.384 4.046 50 0 EIAARO CCC(C)(C)c1ccc(OCCCC[NH2+]C[C@@H](C)O)c(Cl)c1 ZINC000002881595 563461137 /nfs/dbraw/zinc/46/11/37/563461137.db2.gz WMGBGKRBSCQQIQ-CQSZACIVSA-N 1 0 327.896 4.157 50 0 EIAARO FC(F)(F)c1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000004980521 563516530 /nfs/dbraw/zinc/51/65/30/563516530.db2.gz SQJJIPWVYJPFNA-UHFFFAOYSA-N 1 0 334.385 4.070 50 0 EIAARO COc1ccc([C@H]2C[N@H+](C)C[C@H]2C(=O)c2ccc(F)cc2)cc1Cl ZINC000006639238 563575846 /nfs/dbraw/zinc/57/58/46/563575846.db2.gz GTKAIZJKINJBJB-HZPDHXFCSA-N 1 0 347.817 4.016 50 0 EIAARO c1ccc(COc2ccccc2C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000008395474 563629280 /nfs/dbraw/zinc/62/92/80/563629280.db2.gz HKOCBXMBHRWXBG-UHFFFAOYSA-N 1 0 347.414 4.284 50 0 EIAARO OCC1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2F)CC1 ZINC000012596323 563664969 /nfs/dbraw/zinc/66/49/69/563664969.db2.gz OMXJHCQYXHDREU-UHFFFAOYSA-N 1 0 347.861 4.296 50 0 EIAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000013692098 563712528 /nfs/dbraw/zinc/71/25/28/563712528.db2.gz VSGPSWBNWMMAAD-INIZCTEOSA-N 1 0 331.456 4.296 50 0 EIAARO O=C(Nc1ccc(Cl)cc1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000013728849 563719144 /nfs/dbraw/zinc/71/91/44/563719144.db2.gz NKHFWIBGYRISRK-QGZVFWFLSA-N 1 0 335.879 4.212 50 0 EIAARO Fc1ccc(-c2ccc(C[NH2+]C[C@H]3COc4ccccc4O3)o2)cc1 ZINC000032740379 563721064 /nfs/dbraw/zinc/72/10/64/563721064.db2.gz WPFALZCPSHKESS-KRWDZBQOSA-N 1 0 339.366 4.015 50 0 EIAARO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cc1 ZINC000013945735 563732546 /nfs/dbraw/zinc/73/25/46/563732546.db2.gz XEDJJHNVACNXON-NRFANRHFSA-N 1 0 340.511 4.214 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000014955883 563768124 /nfs/dbraw/zinc/76/81/24/563768124.db2.gz MKVMXKRCNXAQIR-KRWDZBQOSA-N 1 0 343.854 4.444 50 0 EIAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000014960729 563768542 /nfs/dbraw/zinc/76/85/42/563768542.db2.gz HFGABUYPFWXEFG-KRWDZBQOSA-N 1 0 341.476 4.209 50 0 EIAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000015005083 563771444 /nfs/dbraw/zinc/77/14/44/563771444.db2.gz GZNUXWUPCHSEKC-SFHVURJKSA-N 1 0 338.499 4.186 50 0 EIAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000015256482 563780640 /nfs/dbraw/zinc/78/06/40/563780640.db2.gz KCCXMAVTDNUQDR-GOSISDBHSA-N 1 0 331.504 4.124 50 0 EIAARO O[C@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000016480769 563812851 /nfs/dbraw/zinc/81/28/51/563812851.db2.gz UEBYIZYUEFMKCG-OAQYLSRUSA-N 1 0 333.431 4.089 50 0 EIAARO CCC[NH+]1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000016580486 563815376 /nfs/dbraw/zinc/81/53/76/563815376.db2.gz KGISEBXIYGDQKR-UHFFFAOYSA-N 1 0 336.888 4.159 50 0 EIAARO COc1ccc(-c2c[n+](Cc3ccc(Cl)cc3)c3n2CCC3)cc1 ZINC000016956161 563826784 /nfs/dbraw/zinc/82/67/84/563826784.db2.gz WRRPNXMNYDTYNZ-UHFFFAOYSA-N 1 0 339.846 4.099 50 0 EIAARO CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000024975643 563878952 /nfs/dbraw/zinc/87/89/52/563878952.db2.gz YNDQGUFZCXJSDM-GFCCVEGCSA-N 1 0 332.275 4.091 50 0 EIAARO Fc1ccc(-c2noc(C[N@@H+]3CCC[C@H]3Cc3ccccc3)n2)cc1 ZINC000025358827 563883777 /nfs/dbraw/zinc/88/37/77/563883777.db2.gz IPWSEECHASZGCW-SFHVURJKSA-N 1 0 337.398 4.083 50 0 EIAARO Fc1ccccc1-c1ccc(C[NH2+]C[C@@H]2COc3ccccc3O2)o1 ZINC000026305195 563890857 /nfs/dbraw/zinc/89/08/57/563890857.db2.gz RVNZBNCTDVTDCG-OAHLLOKOSA-N 1 0 339.366 4.015 50 0 EIAARO COc1ccccc1[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000026334717 563891146 /nfs/dbraw/zinc/89/11/46/563891146.db2.gz VSIBVZDRBWHSPF-AWEZNQCLSA-N 1 0 346.858 4.370 50 0 EIAARO Fc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222580 563895038 /nfs/dbraw/zinc/89/50/38/563895038.db2.gz KMEOCVZWLYKPBM-HXUWFJFHSA-N 1 0 335.426 4.238 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCC2)cc1 ZINC000027794346 563899691 /nfs/dbraw/zinc/89/96/91/563899691.db2.gz GIFRODDAIMMEOB-LJQANCHMSA-N 1 0 342.870 4.215 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1Cl ZINC000028735206 563903935 /nfs/dbraw/zinc/90/39/35/563903935.db2.gz AUUPYJVQDCQEAC-OAHLLOKOSA-N 1 0 342.870 4.427 50 0 EIAARO C[C@H](Cc1cccs1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000033206059 563915452 /nfs/dbraw/zinc/91/54/52/563915452.db2.gz SAVLKROSEDOSDN-MRXNPFEDSA-N 1 0 342.508 4.095 50 0 EIAARO CC(C)(C)c1cc(Br)ccc1OC[C@H]1CCC[NH2+]C1 ZINC000042774668 563924943 /nfs/dbraw/zinc/92/49/43/563924943.db2.gz JAXODGNNAZPDAG-LBPRGKRZSA-N 1 0 326.278 4.125 50 0 EIAARO CCN(C(=O)C[N@@H+]1CCC[C@@H]1c1cccs1)c1ccccc1C ZINC000058084990 563937309 /nfs/dbraw/zinc/93/73/09/563937309.db2.gz BZMSTNCJNRFLQS-QGZVFWFLSA-N 1 0 328.481 4.247 50 0 EIAARO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccs1 ZINC000096477589 563955092 /nfs/dbraw/zinc/95/50/92/563955092.db2.gz XKJGTGKOJDMYJT-UONOGXRCSA-N 1 0 348.487 4.260 50 0 EIAARO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)cn1 ZINC000096478407 563955138 /nfs/dbraw/zinc/95/51/38/563955138.db2.gz FMSNPGKCZILYJI-BXWFABGCSA-N 1 0 346.544 4.259 50 0 EIAARO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(Oc2cccnc2)c(F)c1 ZINC000096478374 563955176 /nfs/dbraw/zinc/95/51/76/563955176.db2.gz BKIJMQIGZFAWNR-KGLIPLIRSA-N 1 0 340.402 4.158 50 0 EIAARO c1cc(Cn2cnc(-c3ccccc3)c2CCc2ccccc2)no1 ZINC000065406306 563960089 /nfs/dbraw/zinc/96/00/89/563960089.db2.gz KOOKVZGFNSKTAG-UHFFFAOYSA-N 1 0 329.403 4.372 50 0 EIAARO Cc1cc(C)c2oc(=O)cc(CN(C)Cc3cccnc3Cl)c2c1 ZINC000065488030 563961438 /nfs/dbraw/zinc/96/14/38/563961438.db2.gz XZVVNZNPIAASTR-UHFFFAOYSA-N 1 0 342.826 4.090 50 0 EIAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000071707918 563964766 /nfs/dbraw/zinc/96/47/66/563964766.db2.gz XBHADYVJZHULPH-MRXNPFEDSA-N 1 0 336.435 4.008 50 0 EIAARO FC(F)(F)c1cccc(CC[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)c1 ZINC000071735498 563964861 /nfs/dbraw/zinc/96/48/61/563964861.db2.gz KZNDHRIFEROQJX-OAHLLOKOSA-N 1 0 337.389 4.273 50 0 EIAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071736534 563964937 /nfs/dbraw/zinc/96/49/37/563964937.db2.gz KSKJWNDJMPZQIC-QGZVFWFLSA-N 1 0 343.442 4.385 50 0 EIAARO CC1(C)C[C@H](c2nccn2-c2ccccc2C[NH+]2CCCC2)CCO1 ZINC000071776496 563965753 /nfs/dbraw/zinc/96/57/53/563965753.db2.gz IJMNYLWZMJDGIA-QGZVFWFLSA-N 1 0 339.483 4.141 50 0 EIAARO C[C@H](Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc([S@](C)=O)cc1 ZINC000097037127 563966845 /nfs/dbraw/zinc/96/68/45/563966845.db2.gz JJCCIMQMVZPTNK-UPCLLVRISA-N 1 0 342.508 4.193 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(COC(C)C)cc2)o1 ZINC000097159623 563968331 /nfs/dbraw/zinc/96/83/31/563968331.db2.gz RFYYSLYVVVFDRD-UHFFFAOYSA-N 1 0 339.439 4.193 50 0 EIAARO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2cncn2C2CCCCC2)c1 ZINC000077393429 563969444 /nfs/dbraw/zinc/96/94/44/563969444.db2.gz JEBVBLWPFRDZSZ-SFHVURJKSA-N 1 0 341.503 4.030 50 0 EIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cccs2)cc1 ZINC000077469990 563969803 /nfs/dbraw/zinc/96/98/03/563969803.db2.gz NHZPFAVJOMSYAJ-IBGZPJMESA-N 1 0 342.508 4.106 50 0 EIAARO CCC(=O)N1CCC([NH2+][C@H](C)c2c(Cl)ccc(F)c2Cl)CC1 ZINC000097016567 563971002 /nfs/dbraw/zinc/97/10/02/563971002.db2.gz KLILUWGKQWFEPS-SNVBAGLBSA-N 1 0 347.261 4.184 50 0 EIAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(C(C)=O)c3)c2c1 ZINC000000081015 563974781 /nfs/dbraw/zinc/97/47/81/563974781.db2.gz GEILEGSJIAVSNL-UHFFFAOYSA-N 1 0 334.375 4.276 50 0 EIAARO Cc1nn(-c2ccccc2)c2c1C(c1cccc(Cl)c1)=[NH+]CCN2 ZINC000095918129 563977750 /nfs/dbraw/zinc/97/77/50/563977750.db2.gz DSBWZKCIHGEZTP-UHFFFAOYSA-N 1 0 336.826 4.097 50 0 EIAARO Cc1c(Cl)ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)c1Cl ZINC000096137396 563979440 /nfs/dbraw/zinc/97/94/40/563979440.db2.gz JECWQNZZQKTGMW-LBPRGKRZSA-N 1 0 344.286 4.250 50 0 EIAARO Cc1cccc(-c2cccc(NC(=O)N3CCC[C@@H]([NH+](C)C)C3)c2)c1 ZINC000096150210 563979669 /nfs/dbraw/zinc/97/96/69/563979669.db2.gz JTUHTIAYEZFLGM-HXUWFJFHSA-N 1 0 337.467 4.220 50 0 EIAARO O[C@@H](CN1c2ccccc2Sc2ccccc21)C[NH+]1CCCCC1 ZINC000000351088 563991559 /nfs/dbraw/zinc/99/15/59/563991559.db2.gz UEDNDOCCDJZUAB-MRXNPFEDSA-N 1 0 340.492 4.136 50 0 EIAARO O=C(CC[N@@H+]1CCC[C@@H]1c1ccsc1)Nc1ccc2c(c1)CCC2 ZINC000048263557 564030351 /nfs/dbraw/zinc/03/03/51/564030351.db2.gz WIXAJBQJHPVRTD-LJQANCHMSA-N 1 0 340.492 4.403 50 0 EIAARO CCC(C)(C)[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000048343049 564031235 /nfs/dbraw/zinc/03/12/35/564031235.db2.gz IPOWXDYINOKWLN-AWEZNQCLSA-N 1 0 327.896 4.290 50 0 EIAARO Cc1nc([C@@H](C)NC(=O)C2([NH+]3CCCCC3)CCCCC2)c(C)s1 ZINC000223289239 564039501 /nfs/dbraw/zinc/03/95/01/564039501.db2.gz SSEDAGJEHRFRHC-CQSZACIVSA-N 1 0 349.544 4.126 50 0 EIAARO CO[C@@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000240465947 564051771 /nfs/dbraw/zinc/05/17/71/564051771.db2.gz GBQRYXNVUHHKSJ-NRFANRHFSA-N 1 0 325.452 4.055 50 0 EIAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248173990 564053089 /nfs/dbraw/zinc/05/30/89/564053089.db2.gz XWVOYSMDMYBGGV-QGZVFWFLSA-N 1 0 334.467 4.190 50 0 EIAARO CCn1nc(C[NH2+][C@@H](C)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000249690740 564053149 /nfs/dbraw/zinc/05/31/49/564053149.db2.gz KSABHTCBYQJGAC-KRWDZBQOSA-N 1 0 334.467 4.076 50 0 EIAARO CCOCCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000248341908 564053185 /nfs/dbraw/zinc/05/31/85/564053185.db2.gz ZZFPNYONVLICMY-UHFFFAOYSA-N 1 0 340.442 4.345 50 0 EIAARO CC(C)[N@H+](C)CC(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000063465443 564057587 /nfs/dbraw/zinc/05/75/87/564057587.db2.gz OYVFFDHMCBFMBP-UHFFFAOYSA-N 1 0 339.464 4.242 50 0 EIAARO C[C@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003215695 564058499 /nfs/dbraw/zinc/05/84/99/564058499.db2.gz WMBXQZYSDAJXAQ-SUMWQHHRSA-N 1 0 348.899 4.357 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl ZINC000012553159 564059206 /nfs/dbraw/zinc/05/92/06/564059206.db2.gz DZPQCKKIYSLPAB-MEDUHNTESA-N 1 0 332.806 4.083 50 0 EIAARO c1ncn(C2CCCCC2)c1C[N@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000299763511 564060711 /nfs/dbraw/zinc/06/07/11/564060711.db2.gz WNJSMCCZEQJHHO-FQEVSTJZSA-N 1 0 331.504 4.169 50 0 EIAARO CC(C)(C)C[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cccnc1 ZINC000534585419 564061131 /nfs/dbraw/zinc/06/11/31/564061131.db2.gz GQUZRGKGNMDMLV-HXUWFJFHSA-N 1 0 341.499 4.406 50 0 EIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCC[C@H]2CC)cc1 ZINC000248380078 564063466 /nfs/dbraw/zinc/06/34/66/564063466.db2.gz OUMBSRGZPCIPGD-QUCCMNQESA-N 1 0 344.499 4.013 50 0 EIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@@H]1C[C@@H]1c1ccccc1F ZINC000084504683 564068328 /nfs/dbraw/zinc/06/83/28/564068328.db2.gz UAJXKPUARLARNJ-QZTJIDSGSA-N 1 0 338.426 4.164 50 0 EIAARO CCC(CC)(CNC(=O)OC(C)(C)C)[NH2+]Cc1sccc1C ZINC000084727271 564069840 /nfs/dbraw/zinc/06/98/40/564069840.db2.gz YVANEROXTYPZCM-UHFFFAOYSA-N 1 0 326.506 4.230 50 0 EIAARO CC[NH+]1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2)CC1 ZINC000015679740 564070709 /nfs/dbraw/zinc/07/07/09/564070709.db2.gz LTRSPPSBMYWVAV-UHFFFAOYSA-N 1 0 343.496 4.267 50 0 EIAARO C[C@H](NC(=O)Nc1ccccc1F)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012824464 564074987 /nfs/dbraw/zinc/07/49/87/564074987.db2.gz FPJKCVGZWSFNOM-HNAYVOBHSA-N 1 0 341.430 4.173 50 0 EIAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000012862238 564075720 /nfs/dbraw/zinc/07/57/20/564075720.db2.gz AFTCZMDVYJXYRJ-CZUORRHYSA-N 1 0 348.899 4.243 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000015837285 564076485 /nfs/dbraw/zinc/07/64/85/564076485.db2.gz KCQBHLJJXOKNKO-QGZVFWFLSA-N 1 0 345.414 4.189 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000015837470 564076533 /nfs/dbraw/zinc/07/65/33/564076533.db2.gz BAJCUAUWPBIIMB-KRWDZBQOSA-N 1 0 345.414 4.189 50 0 EIAARO Cc1ccsc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000006320294 564084611 /nfs/dbraw/zinc/08/46/11/564084611.db2.gz VQSRKLAJHPYIQK-OAHLLOKOSA-N 1 0 347.509 4.313 50 0 EIAARO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000090728961 564086276 /nfs/dbraw/zinc/08/62/76/564086276.db2.gz MLUPXVFQTVBHNU-UONOGXRCSA-N 1 0 338.455 4.240 50 0 EIAARO CC(=O)Nc1ccc(C(=O)[C@H](C)[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000241301088 564088316 /nfs/dbraw/zinc/08/83/16/564088316.db2.gz LQHAXQKJRFKEHW-GUYCJALGSA-N 1 0 342.464 4.115 50 0 EIAARO CNC(=O)c1ccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc1 ZINC000089391870 564089961 /nfs/dbraw/zinc/08/99/61/564089961.db2.gz IUQOVNJANZPBHI-GOSISDBHSA-N 1 0 328.481 4.129 50 0 EIAARO C[S@@](=O)c1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000089493222 564090814 /nfs/dbraw/zinc/09/08/14/564090814.db2.gz WCGJYJRSNMDVDX-DEOSSOPVSA-N 1 0 342.508 4.022 50 0 EIAARO COc1ccc(C[NH2+][C@@H](CCSC)c2nc3ccccc3[nH]2)cc1 ZINC000006652392 564095392 /nfs/dbraw/zinc/09/53/92/564095392.db2.gz ZCRBTLZFDSYBPL-SFHVURJKSA-N 1 0 341.480 4.156 50 0 EIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COCc2ccccc2)s1 ZINC000036100934 564096115 /nfs/dbraw/zinc/09/61/15/564096115.db2.gz PMLMEUIFXRGTIW-LJQANCHMSA-N 1 0 347.524 4.092 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000169681701 564098215 /nfs/dbraw/zinc/09/82/15/564098215.db2.gz NOTLZLDQNKMMMF-TZIWHRDSSA-N 1 0 341.495 4.344 50 0 EIAARO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000065535477 564107194 /nfs/dbraw/zinc/10/71/94/564107194.db2.gz YXAUHAPLZYXAKI-UHFFFAOYSA-N 1 0 343.393 4.044 50 0 EIAARO Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1ccc(Br)o1 ZINC000170615553 564109971 /nfs/dbraw/zinc/10/99/71/564109971.db2.gz UOLMUDGBXQRYMQ-RKDXNWHRSA-N 1 0 327.222 4.101 50 0 EIAARO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccco2)c1 ZINC000089761585 564113567 /nfs/dbraw/zinc/11/35/67/564113567.db2.gz IJDPVIFQSPKOPW-UHFFFAOYSA-N 1 0 339.439 4.197 50 0 EIAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccc2ccccc2c1 ZINC000076056570 564115044 /nfs/dbraw/zinc/11/50/44/564115044.db2.gz TVQGSTZAPQIFKA-QYWGDWMGSA-N 1 0 336.479 4.137 50 0 EIAARO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000089941985 564115561 /nfs/dbraw/zinc/11/55/61/564115561.db2.gz PFMBKFVQLFWOEE-WBVHZDCISA-N 1 0 334.529 4.312 50 0 EIAARO O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CC[NH+](C2CC2)CC1 ZINC000195212708 564122971 /nfs/dbraw/zinc/12/29/71/564122971.db2.gz WOOMDCXGRZSDQB-UHFFFAOYSA-N 1 0 346.780 4.172 50 0 EIAARO C[N@H+](CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)(C)C ZINC000002224179 564124085 /nfs/dbraw/zinc/12/40/85/564124085.db2.gz SUZPZFIHBRSYJQ-UHFFFAOYSA-N 1 0 339.435 4.198 50 0 EIAARO C[C@@H]([NH2+][C@@H](C)c1ccncc1F)c1ccc2c(c1)COC(C)(C)O2 ZINC000253416001 564130765 /nfs/dbraw/zinc/13/07/65/564130765.db2.gz IZUOULLTUYRLRB-OLZOCXBDSA-N 1 0 330.403 4.278 50 0 EIAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000078896783 564137383 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CC[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)c1ccccc1OC(F)F ZINC000096476583 564148454 /nfs/dbraw/zinc/14/84/54/564148454.db2.gz KJJGCEQDVCEFQJ-WBMJQRKESA-N 1 0 335.398 4.497 50 0 EIAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)o1 ZINC000096476872 564148479 /nfs/dbraw/zinc/14/84/79/564148479.db2.gz NIYFJZWBRSHKDC-OAHLLOKOSA-N 1 0 349.434 4.340 50 0 EIAARO Cn1cc(-c2cccc(C[NH2+][C@@H]3CCCNc4ccccc43)c2)cn1 ZINC000225576637 564149771 /nfs/dbraw/zinc/14/97/71/564149771.db2.gz RHVKSNUBUGGXEP-OAQYLSRUSA-N 1 0 332.451 4.124 50 0 EIAARO COC(=O)c1ccc(CN(C)[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000057381179 564153896 /nfs/dbraw/zinc/15/38/96/564153896.db2.gz DXUALNISRSIHKE-ZDUSSCGKSA-N 1 0 340.448 4.276 50 0 EIAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)cc1C ZINC000003058417 564154779 /nfs/dbraw/zinc/15/47/79/564154779.db2.gz BSYIZZDYZROITL-UHFFFAOYSA-N 1 0 345.556 4.339 50 0 EIAARO Cc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCCC3)CC2)c1 ZINC000003058713 564154802 /nfs/dbraw/zinc/15/48/02/564154802.db2.gz 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Clc1ccc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)s1 ZINC000023359012 1021365091 /nfs/dbraw/zinc/36/50/91/1021365091.db2.gz LHKNDMKISWHBJM-MRXNPFEDSA-N 1 0 346.927 4.123 50 0 EIAARO c1cc(OC[C@H]2CCC3(CC[NH+](CC4CCCCC4)CC3)O2)ccn1 ZINC000257173957 1022564559 /nfs/dbraw/zinc/56/45/59/1022564559.db2.gz ATEHEMAPKSSFJB-HXUWFJFHSA-N 1 0 344.499 4.054 50 0 EIAARO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)C[C@H](C)SC2CCCCC2)C1 ZINC000888096078 1025999230 /nfs/dbraw/zinc/99/92/30/1025999230.db2.gz JJLFRFWQGVJMRM-SOLBZPMBSA-N 1 0 340.577 4.068 50 0 EIAARO c1ccc2oc([C@H]3CCC[N@@H+](Cc4ccc5c(c4)CCO5)C3)nc2c1 ZINC000109829705 1030971525 /nfs/dbraw/zinc/97/15/25/1030971525.db2.gz MKBJQSRHUSWVHE-KRWDZBQOSA-N 1 0 334.419 4.142 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)CC2CCCC2)CC1 ZINC000257190725 1036398000 /nfs/dbraw/zinc/39/80/00/1036398000.db2.gz NQFGUDSQDJEGRA-UHFFFAOYSA-N 1 0 343.515 4.278 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)N[C@H](C)c2cc3ccccc3s2)CC1 ZINC000171543549 1037471793 /nfs/dbraw/zinc/47/17/93/1037471793.db2.gz FUYYXFOJEMANHG-CQSZACIVSA-N 1 0 345.512 4.134 50 0 EIAARO C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000623208803 1039725539 /nfs/dbraw/zinc/72/55/39/1039725539.db2.gz YKAYEAZKCYLPDH-INIZCTEOSA-N 1 0 330.815 4.165 50 0 EIAARO Cc1nc([C@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)oc1-c1ccc(Cl)cc1 ZINC000089557959 1040258701 /nfs/dbraw/zinc/25/87/01/1040258701.db2.gz GZBBSPDLFBKPEA-LIRRHRJNSA-N 1 0 346.858 4.477 50 0 EIAARO CC[n+]1c(/C=C\c2ccc(OC(C)=O)c(OC)c2)ccc2ccccc21 ZINC000083305088 1040649256 /nfs/dbraw/zinc/64/92/56/1040649256.db2.gz DAIZHFWOUIAZCB-XFXZXTDPSA-N 1 0 348.422 4.252 50 0 EIAARO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000170639796 1043080576 /nfs/dbraw/zinc/08/05/76/1043080576.db2.gz UOMBQCQJCNOGIY-FQEVSTJZSA-N 1 0 347.462 4.039 50 0 EIAARO COc1cccc(C[N@@H+]2CCC[C@H](Cc3ncc(C)n3C(C)C)C2)c1 ZINC000575317104 1045213046 /nfs/dbraw/zinc/21/30/46/1045213046.db2.gz BDRFUMHEMJVZDA-LJQANCHMSA-N 1 0 341.499 4.236 50 0 EIAARO Cc1cnc(C2CC2)n1[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000575546539 1045255382 /nfs/dbraw/zinc/25/53/82/1045255382.db2.gz QFEBZXDHQDDUIH-GOSISDBHSA-N 1 0 334.467 4.387 50 0 EIAARO Cc1cnc(-c2ccncc2)n1C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000575547413 1045256480 /nfs/dbraw/zinc/25/64/80/1045256480.db2.gz BLRXGYBZZUCTLK-SFHVURJKSA-N 1 0 338.499 4.298 50 0 EIAARO CC[C@H](C)[NH2+]C1CCN(c2cccc(-c3csc(C)n3)c2)CC1 ZINC000063834404 1045264625 /nfs/dbraw/zinc/26/46/25/1045264625.db2.gz RYRLPWKUYRVJJO-AWEZNQCLSA-N 1 0 329.513 4.475 50 0 EIAARO CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005528852 1046390525 /nfs/dbraw/zinc/39/05/25/1046390525.db2.gz LWGWUPUIDWATSH-QRVBRYPASA-N 1 0 328.500 4.040 50 0 EIAARO Cc1cc2[nH]c(C[N@@H+]3CCC[C@](O)(C(F)(F)F)CC3)cc2c(C)c1 ZINC000952846313 1049677182 /nfs/dbraw/zinc/67/71/82/1049677182.db2.gz ZHCKNGFRRWSROM-QGZVFWFLSA-N 1 0 340.389 4.064 50 0 EIAARO C[C@H](c1cccnc1)[N@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000952869210 1049678641 /nfs/dbraw/zinc/67/86/41/1049678641.db2.gz GCIXMUYTPHSOPJ-OAHLLOKOSA-N 1 0 329.875 4.397 50 0 EIAARO O=C1CC[C@H]([NH2+]C2c3ccccc3-c3ccccc32)CCN1CC1CC1 ZINC000952870363 1049679158 /nfs/dbraw/zinc/67/91/58/1049679158.db2.gz YFWCYDFBCKIGRX-KRWDZBQOSA-N 1 0 346.474 4.137 50 0 EIAARO COc1ccc(/C=C/C[NH2+][C@@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000952964609 1049683511 /nfs/dbraw/zinc/68/35/11/1049683511.db2.gz OKPTUNQPPQDYOT-PSQUURQMSA-N 1 0 342.508 4.024 50 0 EIAARO CCC(F)(F)C(C)(C)C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000527681154 1053472261 /nfs/dbraw/zinc/47/22/61/1053472261.db2.gz HQZRDEYTFNYSPM-HNNXBMFYSA-N 1 0 339.474 4.268 50 0 EIAARO C[C@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 ZINC000529539801 1055868215 /nfs/dbraw/zinc/86/82/15/1055868215.db2.gz UVULMLKXJCFEHM-KSSFIOAISA-N 1 0 344.405 4.390 50 0 EIAARO C[C@H]([NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 ZINC000529539799 1055868477 /nfs/dbraw/zinc/86/84/77/1055868477.db2.gz UVULMLKXJCFEHM-KBXCAEBGSA-N 1 0 344.405 4.390 50 0 EIAARO Cc1cnc([C@H]2CC[N@H+](Cc3ccccc3)C2)n1Cc1ccccc1 ZINC000581815757 1060021856 /nfs/dbraw/zinc/02/18/56/1060021856.db2.gz IHWXTPDTNSXNIT-NRFANRHFSA-N 1 0 331.463 4.229 50 0 EIAARO Clc1cccc2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)nc12 ZINC000097694971 219048508 /nfs/dbraw/zinc/04/85/08/219048508.db2.gz JRBDSNAVCJZIBC-OAHLLOKOSA-N 1 0 338.842 4.058 50 0 EIAARO Cc1csc2nc(C[NH2+][C@@H](c3cccs3)C(C)(C)C)cc(=O)n12 ZINC000054417289 214237826 /nfs/dbraw/zinc/23/78/26/214237826.db2.gz MIJGQYYIESBNNE-HNNXBMFYSA-N 1 0 347.509 4.003 50 0 EIAARO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1cccs1 ZINC000054417195 214237992 /nfs/dbraw/zinc/23/79/92/214237992.db2.gz DSAITJXZUGWSEM-LJQANCHMSA-N 1 0 342.508 4.010 50 0 EIAARO FC(F)Oc1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055028098 214265583 /nfs/dbraw/zinc/26/55/83/214265583.db2.gz ZSYHUMPZUKLEDK-SFHVURJKSA-N 1 0 326.346 4.271 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055074661 214269493 /nfs/dbraw/zinc/26/94/93/214269493.db2.gz OPLJGJXGJSOONA-MRXNPFEDSA-N 1 0 336.435 4.297 50 0 EIAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1cccc(Br)c1 ZINC000004678429 210245080 /nfs/dbraw/zinc/24/50/80/210245080.db2.gz CRPLYJMPGBZDGY-UHFFFAOYSA-N 1 0 342.240 4.462 50 0 EIAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(F)c3)n2C)cc1 ZINC000004678841 210244961 /nfs/dbraw/zinc/24/49/61/210244961.db2.gz NFMFMPWPHNIQCF-UHFFFAOYSA-N 1 0 325.387 4.237 50 0 EIAARO COc1cccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)c1 ZINC000004678294 210244418 /nfs/dbraw/zinc/24/44/18/210244418.db2.gz JJAIVZJTERIQCY-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO CC[C@H]([NH2+][C@@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 ZINC000163820256 529652860 /nfs/dbraw/zinc/65/28/60/529652860.db2.gz GOWLBMWEZWPDJP-KKSFZXQISA-N 1 0 340.467 4.441 50 0 EIAARO CC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000004591331 210229250 /nfs/dbraw/zinc/22/92/50/210229250.db2.gz HTGJQZVDWVTSPY-OAQYLSRUSA-N 1 0 346.490 4.295 50 0 EIAARO CCC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004507782 210208846 /nfs/dbraw/zinc/20/88/46/210208846.db2.gz JLDAJWGHDKOWMU-JOCHJYFZSA-N 1 0 342.527 4.464 50 0 EIAARO CC(C)C(=O)Nc1cccnc1-c1cccc([C@@H](C)[NH+]2CCCC2)c1 ZINC000065406897 214898284 /nfs/dbraw/zinc/89/82/84/214898284.db2.gz KFONZZUBYWHEFU-MRXNPFEDSA-N 1 0 337.467 4.500 50 0 EIAARO Cc1cc(Nc2ccc(N3CCOCC3)cc2)c2cccc(C)c2[nH+]1 ZINC000003953660 210095828 /nfs/dbraw/zinc/09/58/28/210095828.db2.gz JNKURNCTFDOWSC-UHFFFAOYSA-N 1 0 333.435 4.432 50 0 EIAARO C[N@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000003831004 210079005 /nfs/dbraw/zinc/07/90/05/210079005.db2.gz MXYUKLILVYORSK-NJYVYQBISA-N 1 0 337.463 4.236 50 0 biogenic,world EIAARO Cc1cccc(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000003439471 210040623 /nfs/dbraw/zinc/04/06/23/210040623.db2.gz XDOHMSOZBVLIAS-KRWDZBQOSA-N 1 0 343.496 4.020 50 0 EIAARO CCC[C@H](C)[N@H+](CC)Cc1ccccc1-c1nc(C2CC2)cc(=O)[nH]1 ZINC000067641841 215172158 /nfs/dbraw/zinc/17/21/58/215172158.db2.gz CFWQDTGAGGXALV-HNNXBMFYSA-N 1 0 339.483 4.325 50 0 EIAARO Brc1ccc(OC[C@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042774904 213533378 /nfs/dbraw/zinc/53/33/78/213533378.db2.gz GFDVZENRIRNCLX-AWEZNQCLSA-N 1 0 346.268 4.495 50 0 EIAARO C[N@@H+]1CCC=C([C@H]2CCCCN2C(=O)c2cc3ccccc3s2)C1 ZINC000067677058 215182730 /nfs/dbraw/zinc/18/27/30/215182730.db2.gz HHKWVUWLUWFRHA-QGZVFWFLSA-N 1 0 340.492 4.158 50 0 EIAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000067691673 215186041 /nfs/dbraw/zinc/18/60/41/215186041.db2.gz MGEDQPGACPZYKD-IBGZPJMESA-N 1 0 347.462 4.470 50 0 EIAARO CC[C@@H]1CCCC[N@@H+]1CCCNc1[nH]c(=S)nc2ccccc21 ZINC000002932959 209943957 /nfs/dbraw/zinc/94/39/57/209943957.db2.gz VBJFOKPYANPXPU-CQSZACIVSA-N 1 0 330.501 4.359 50 0 EIAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1cccc(C(C)=O)c1 ZINC000067850433 215230538 /nfs/dbraw/zinc/23/05/38/215230538.db2.gz BEBBJRDPSHGNBU-UHFFFAOYSA-N 1 0 325.408 4.286 50 0 EIAARO CSc1ccc2nc(-c3cccc4c3O[C@@H](C[NH3+])C4)cc(C)c2c1 ZINC000067855857 215232929 /nfs/dbraw/zinc/23/29/29/215232929.db2.gz FZMOLQPWONAOSL-CQSZACIVSA-N 1 0 336.460 4.194 50 0 EIAARO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000067880814 215239758 /nfs/dbraw/zinc/23/97/58/215239758.db2.gz HONGZFVMIKOHBP-IBGZPJMESA-N 1 0 332.451 4.160 50 0 EIAARO CCC/C=C/C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000067983370 215267750 /nfs/dbraw/zinc/26/77/50/215267750.db2.gz LKFHWTGYFOMEGV-FAZYEBOESA-N 1 0 332.532 4.238 50 0 EIAARO CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2CC[NH2+]C(C)C ZINC000068202907 215289765 /nfs/dbraw/zinc/28/97/65/215289765.db2.gz JKCSODVERGVDLT-UHFFFAOYSA-N 1 0 336.435 4.198 50 0 in-vitro EIAARO c1nn(-c2ccccc2)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000040024252 213252522 /nfs/dbraw/zinc/25/25/22/213252522.db2.gz GAIOZHVTQANPOL-UHFFFAOYSA-N 1 0 347.462 4.054 50 0 EIAARO COc1ccccc1C[NH2+]CCc1c(C)[nH]c2ccc(Cl)cc21 ZINC000036657749 213108560 /nfs/dbraw/zinc/10/85/60/213108560.db2.gz ZQQIFYIAWXOMNG-UHFFFAOYSA-N 1 0 328.843 4.471 50 0 EIAARO Cc1ccccc1C[N@@H+](Cc1ccccc1)C[C@@H](O)COCC(C)C ZINC000036104432 213069076 /nfs/dbraw/zinc/06/90/76/213069076.db2.gz HGLGIIGXLBHRNF-JOCHJYFZSA-N 1 0 341.495 4.031 50 0 EIAARO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC(C)C ZINC000036095390 213063616 /nfs/dbraw/zinc/06/36/16/213063616.db2.gz PWKRUDKAPRGJSX-HXUWFJFHSA-N 1 0 345.458 4.032 50 0 EIAARO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072167622 216057891 /nfs/dbraw/zinc/05/78/91/216057891.db2.gz KPPGPOHXHWUZOM-HXUWFJFHSA-N 1 0 346.478 4.166 50 0 EIAARO Cc1ccc2ncccc2c1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000072163000 216051536 /nfs/dbraw/zinc/05/15/36/216051536.db2.gz YYBXYVKJYOLOFA-UHFFFAOYSA-N 1 0 349.453 4.000 50 0 EIAARO Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000072354414 216162520 /nfs/dbraw/zinc/16/25/20/216162520.db2.gz ZIFNQLGQOFKWFN-INIZCTEOSA-N 1 0 334.385 4.467 50 0 EIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)cc1C ZINC000000212619 209486725 /nfs/dbraw/zinc/48/67/25/209486725.db2.gz KLJGDXSPTVPDCN-UHFFFAOYSA-N 1 0 347.553 4.126 50 0 EIAARO Clc1ccccc1C1(c2ccnc(-c3ccco3)n2)CC[NH2+]CC1 ZINC000072411151 216203791 /nfs/dbraw/zinc/20/37/91/216203791.db2.gz DVGHZVDFEVWAIQ-UHFFFAOYSA-N 1 0 339.826 4.060 50 0 EIAARO Fc1ccccc1C[N@@H+]1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000072425772 216215911 /nfs/dbraw/zinc/21/59/11/216215911.db2.gz GBCSMMWBZLLRPL-GOSISDBHSA-N 1 0 335.426 4.450 50 0 EIAARO Cc1cnc(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C(C)C)C2)o1 ZINC000072632749 216285143 /nfs/dbraw/zinc/28/51/43/216285143.db2.gz QZYLYJWBCTXDPC-INIZCTEOSA-N 1 0 338.455 4.293 50 0 EIAARO O=C(Nc1sc2c(c1C[NH+]1CCCCC1)CCCC2)c1ccco1 ZINC000038546127 213213412 /nfs/dbraw/zinc/21/34/12/213213412.db2.gz JLVLWTIKIHECOA-UHFFFAOYSA-N 1 0 344.480 4.458 50 0 EIAARO COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)[NH2+]CC2 ZINC000023230347 212361790 /nfs/dbraw/zinc/36/17/90/212361790.db2.gz SXEUGKGJVRBMOH-LJQANCHMSA-N 1 0 341.451 4.093 50 0 EIAARO c1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc(OC2CCCC2)c1 ZINC000022913736 212332901 /nfs/dbraw/zinc/33/29/01/212332901.db2.gz ITQJFHJVAXZRKJ-IBGZPJMESA-N 1 0 328.500 4.068 50 0 EIAARO Fc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1F ZINC000022876373 212331912 /nfs/dbraw/zinc/33/19/12/212331912.db2.gz PAVUUPCGSDKDRN-WOJBJXKFSA-N 1 0 334.454 4.194 50 0 EIAARO Cc1ncsc1CC[N@@H+](C)Cc1ccc([C@H]2CCCCO2)s1 ZINC000215004817 241098485 /nfs/dbraw/zinc/09/84/85/241098485.db2.gz LUUAEGMCBUSCML-OAHLLOKOSA-N 1 0 336.526 4.429 50 0 EIAARO CO[C@H]1CC[N@H+](Cc2cccc(OCc3c(F)cccc3Cl)c2)C1 ZINC000215088060 241104580 /nfs/dbraw/zinc/10/45/80/241104580.db2.gz LUCZTZXMPHRMHA-INIZCTEOSA-N 1 0 349.833 4.279 50 0 EIAARO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC=C(C)C)c(OC)c1 ZINC000215822329 241146623 /nfs/dbraw/zinc/14/66/23/241146623.db2.gz WEAACGXPQBHJNE-SFHVURJKSA-N 1 0 333.472 4.041 50 0 EIAARO COCC[N@@H+](Cc1ccc(-c2ccccc2)s1)C[C@@H]1CCCO1 ZINC000216149490 241166414 /nfs/dbraw/zinc/16/64/14/241166414.db2.gz XXUZWRAKBVIFCR-KRWDZBQOSA-N 1 0 331.481 4.043 50 0 EIAARO COCC[N@@H+](Cc1ccc(-c2ccccc2)s1)C[C@H]1CCCO1 ZINC000216149536 241166988 /nfs/dbraw/zinc/16/69/88/241166988.db2.gz XXUZWRAKBVIFCR-QGZVFWFLSA-N 1 0 331.481 4.043 50 0 EIAARO CCc1ccc(CN(C)Cc2ccc(C[NH+]3CCCCC3)s2)nc1 ZINC000216484528 241193891 /nfs/dbraw/zinc/19/38/91/241193891.db2.gz WKSFALWAMSLPJY-UHFFFAOYSA-N 1 0 343.540 4.323 50 0 EIAARO Cc1cc(C)n2ncc(C[N@@H+]3CCC[C@@H](c4ccccc4C)C3)c2n1 ZINC000216499480 241198811 /nfs/dbraw/zinc/19/88/11/241198811.db2.gz SJMXBLOJSICKPF-GOSISDBHSA-N 1 0 334.467 4.034 50 0 EIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000021719903 212244457 /nfs/dbraw/zinc/24/44/57/212244457.db2.gz YMFYBOWTDLIMQK-QGZVFWFLSA-N 1 0 340.402 4.158 50 0 EIAARO COCC[NH2+]Cc1c(OCc2ccc(C)cc2)ccc2ccccc21 ZINC000020874256 212180380 /nfs/dbraw/zinc/18/03/80/212180380.db2.gz JLGNQIZTNJOSKX-UHFFFAOYSA-N 1 0 335.447 4.463 50 0 EIAARO O=C(Nc1cccc(F)c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000242087950 243009727 /nfs/dbraw/zinc/00/97/27/243009727.db2.gz WAOKHJPVQLCKRW-UHFFFAOYSA-N 1 0 333.451 4.088 50 0 EIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(C)C)C1 ZINC000020778801 212172425 /nfs/dbraw/zinc/17/24/25/212172425.db2.gz WMZONIUGNCOPHT-AHKGRUIUSA-N 1 0 339.483 4.435 50 0 EIAARO Cc1cc(OCCCC[NH+]2CCN(C)CC2)c(C(C)C)cc1Cl ZINC000020639311 212158684 /nfs/dbraw/zinc/15/86/84/212158684.db2.gz NWRQYILLRLLKLD-UHFFFAOYSA-N 1 0 338.923 4.178 50 0 EIAARO CN(C)CC[NH2+]CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020590018 212149541 /nfs/dbraw/zinc/14/95/41/212149541.db2.gz OQOVZVDROYLCSG-IBGZPJMESA-N 1 0 334.866 4.152 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@H](c1ccccc1Cl)[NH2+]CC2 ZINC000020506888 212141249 /nfs/dbraw/zinc/14/12/49/212141249.db2.gz LBGFRIPGHHILSE-IBGZPJMESA-N 1 0 331.843 4.373 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@@H](c1cc(C)c(O)c(C)c1)[NH2+]CC2 ZINC000020507009 212141324 /nfs/dbraw/zinc/14/13/24/212141324.db2.gz NQOWXNNPHFBNDI-HXUWFJFHSA-N 1 0 341.451 4.042 50 0 EIAARO Cc1ccc(C(=O)[C@@H](O)[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000020390221 212124697 /nfs/dbraw/zinc/12/46/97/212124697.db2.gz QIAUEJSGCORVTR-IRLDBZIGSA-N 1 0 337.463 4.074 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(Br)c2)c1 ZINC000020187458 212110185 /nfs/dbraw/zinc/11/01/85/212110185.db2.gz BMBZMYBTMVCHOD-LBPRGKRZSA-N 1 0 347.256 4.258 50 0 EIAARO Cc1c(Cl)ccc(OCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000020167179 212108621 /nfs/dbraw/zinc/10/86/21/212108621.db2.gz PSYQTMZSCPLXOX-ZIAGYGMSSA-N 1 0 325.880 4.225 50 0 EIAARO Cc1ccc(C[NH+]2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000020102854 212100458 /nfs/dbraw/zinc/10/04/58/212100458.db2.gz ZDNVNVUWSVAXEA-UHFFFAOYSA-N 1 0 340.511 4.214 50 0 EIAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccccc3F)o2)cc1 ZINC000019872545 212077547 /nfs/dbraw/zinc/07/75/47/212077547.db2.gz GIWHSWRPTWHHIN-UHFFFAOYSA-N 1 0 325.383 4.427 50 0 EIAARO CSc1ccc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000019832128 212072959 /nfs/dbraw/zinc/07/29/59/212072959.db2.gz KDBCURNQHVDGDF-UHFFFAOYSA-N 1 0 326.509 4.035 50 0 EIAARO CCc1ccc(C[NH+]2CCN(Cc3cccc(Cl)c3)CC2)cc1 ZINC000019788030 212066972 /nfs/dbraw/zinc/06/69/72/212066972.db2.gz BBSAOKHEUQSRKK-UHFFFAOYSA-N 1 0 328.887 4.220 50 0 EIAARO CC[NH+]1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019536760 212039652 /nfs/dbraw/zinc/03/96/52/212039652.db2.gz OEINIJGVIZMVDW-UHFFFAOYSA-N 1 0 332.532 4.125 50 0 EIAARO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019372989 212024625 /nfs/dbraw/zinc/02/46/25/212024625.db2.gz BYZBNLVKTLXVTR-UHFFFAOYSA-N 1 0 342.442 4.497 50 0 EIAARO Fc1cccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000019370747 212023136 /nfs/dbraw/zinc/02/31/36/212023136.db2.gz AAFGZFIHOJBQHN-UHFFFAOYSA-N 1 0 334.438 4.297 50 0 EIAARO CC(=O)N1CCC([NH2+]CC2(Sc3ccc(C)cc3)CCCC2)CC1 ZINC000080347630 217300081 /nfs/dbraw/zinc/30/00/81/217300081.db2.gz YZITXBRRJRPTPT-UHFFFAOYSA-N 1 0 346.540 4.000 50 0 EIAARO CC(C)[NH+](CCNC(=O)Cc1ccc(-c2ccccc2)cc1)C(C)C ZINC000014661675 211749904 /nfs/dbraw/zinc/74/99/04/211749904.db2.gz CVCLVTQQYBTRMH-UHFFFAOYSA-N 1 0 338.495 4.131 50 0 EIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc2ncccc21 ZINC000012781295 211455482 /nfs/dbraw/zinc/45/54/82/211455482.db2.gz TYBTVHPKEHLGGP-UHFFFAOYSA-N 1 0 347.462 4.007 50 0 EIAARO CSc1ccc(C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)cc1 ZINC000012439245 211381967 /nfs/dbraw/zinc/38/19/67/211381967.db2.gz UCLXNGPVDNFKDY-UHFFFAOYSA-N 1 0 346.540 4.023 50 0 EIAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000012093820 211289164 /nfs/dbraw/zinc/28/91/64/211289164.db2.gz HLPMQFLZQXRNIX-BZSISCHUSA-N 1 0 348.494 4.466 50 0 EIAARO Cc1oc(-c2cccs2)nc1C[N@H+](CC1CC1)C[C@H]1CCCO1 ZINC000012052110 211285150 /nfs/dbraw/zinc/28/51/50/211285150.db2.gz COCLUJQMLGASDH-OAHLLOKOSA-N 1 0 332.469 4.103 50 0 EIAARO CCN1CCC([N@@H+]2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821496 211251983 /nfs/dbraw/zinc/25/19/83/211251983.db2.gz ZCAUEWMCBJHBIE-HXUWFJFHSA-N 1 0 329.532 4.171 50 0 EIAARO Cc1ccccc1C[C@@]1(CO)CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000011816417 211250310 /nfs/dbraw/zinc/25/03/10/211250310.db2.gz RFPPJDMWKOEHNR-NRFANRHFSA-N 1 0 343.898 4.466 50 0 EIAARO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000093278223 218210844 /nfs/dbraw/zinc/21/08/44/218210844.db2.gz LCUYZAABGBJMNH-KRWDZBQOSA-N 1 0 340.492 4.002 50 0 EIAARO C[S@](=O)c1ccc(C[NH2+][C@H](c2cc3ccccc3o2)C2CC2)cc1 ZINC000095409646 218346299 /nfs/dbraw/zinc/34/62/99/218346299.db2.gz VSGRGLCDHKQWKL-GBXCKJPGSA-N 1 0 339.460 4.411 50 0 EIAARO c1ccc([C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)C2CCCC2)nc1 ZINC000095412276 218350040 /nfs/dbraw/zinc/35/00/40/218350040.db2.gz XGLYUNQKAAWJSI-NRFANRHFSA-N 1 0 336.483 4.098 50 0 EIAARO C[C@H](CCSc1ccccc1)[NH+]1CCC(OC2CCOCC2)CC1 ZINC000095428294 218370499 /nfs/dbraw/zinc/37/04/99/218370499.db2.gz DCICTRRJPQDPMP-QGZVFWFLSA-N 1 0 349.540 4.217 50 0 EIAARO c1ccc2c(c1)SCC[C@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000095419985 218360554 /nfs/dbraw/zinc/36/05/54/218360554.db2.gz MELBNFFEAWBGOV-QGZVFWFLSA-N 1 0 325.481 4.009 50 0 EIAARO COC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cnc3ccsc3c2)cc1 ZINC000095420446 218360596 /nfs/dbraw/zinc/36/05/96/218360596.db2.gz GZBURGLAWMAMPI-LBPRGKRZSA-N 1 0 341.436 4.325 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](C)c1ccc(F)c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000095423495 218365775 /nfs/dbraw/zinc/36/57/75/218365775.db2.gz YTTXEOOTKXWBBQ-NSCUQIJASA-N 1 0 337.435 4.157 50 0 EIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc2ccccc21 ZINC000005682982 210516555 /nfs/dbraw/zinc/51/65/55/210516555.db2.gz OTJSLBRSNLJVPH-UHFFFAOYSA-N 1 0 344.458 4.234 50 0 EIAARO O=C(Nc1ccc(Cl)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005515959 210480515 /nfs/dbraw/zinc/48/05/15/210480515.db2.gz SLHFRHAKYLNUFK-UHFFFAOYSA-N 1 0 343.858 4.126 50 0 EIAARO [NH3+]CCCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000005081263 210387340 /nfs/dbraw/zinc/38/73/40/210387340.db2.gz ZDSURQDDPMBSEZ-UHFFFAOYSA-N 1 0 346.283 4.340 50 0 EIAARO CCCC[N@H+](CC)CCCNC(=O)c1csc2c1CCCCC2 ZINC000005070440 210383072 /nfs/dbraw/zinc/38/30/72/210383072.db2.gz CZRWBCTYEUGMBD-UHFFFAOYSA-N 1 0 336.545 4.259 50 0 EIAARO C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000005045784 210373614 /nfs/dbraw/zinc/37/36/14/210373614.db2.gz IQDMRNHAOGKQJW-AQRXXJNJSA-N 1 0 340.511 4.060 50 0 EIAARO C[NH+](C)CCC[C@]1(O)c2ccccc2Sc2ccc(Cl)cc21 ZINC000005019316 210364427 /nfs/dbraw/zinc/36/44/27/210364427.db2.gz YJINNJOMTOJZBH-SFHVURJKSA-N 1 0 333.884 4.382 50 0 EIAARO COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000005019858 210364231 /nfs/dbraw/zinc/36/42/31/210364231.db2.gz HCSYAEUSMPFXJS-UHFFFAOYSA-N 1 0 340.206 4.021 50 0 EIAARO COc1cccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)c1OC ZINC000004997077 210354271 /nfs/dbraw/zinc/35/42/71/210354271.db2.gz JZMAWYSOCHOABF-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO Cc1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1 ZINC000004997707 210353845 /nfs/dbraw/zinc/35/38/45/210353845.db2.gz UMZVQGFCESCERS-UHFFFAOYSA-N 1 0 348.494 4.443 50 0 EIAARO COc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000004986459 210351321 /nfs/dbraw/zinc/35/13/21/210351321.db2.gz NJURGPKKWIJLMG-UHFFFAOYSA-N 1 0 327.399 4.132 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000004817288 210286228 /nfs/dbraw/zinc/28/62/28/210286228.db2.gz VPRPANWSSJGICN-KSZLIROESA-N 1 0 336.479 4.418 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2c3ccccc3CCc3ccccc32)C1 ZINC000004776939 210276022 /nfs/dbraw/zinc/27/60/22/210276022.db2.gz UXMJITOZBAWGQO-QZTJIDSGSA-N 1 0 348.490 4.428 50 0 EIAARO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H]1c1cccs1 ZINC000241590517 258000749 /nfs/dbraw/zinc/00/07/49/258000749.db2.gz PFMBKFVQLFWOEE-DOTOQJQBSA-N 1 0 334.529 4.312 50 0 EIAARO COc1ccccc1-c1ncc(C[N@H+](C)CCC[C@H]2CCCO2)s1 ZINC000299776622 258087209 /nfs/dbraw/zinc/08/72/09/258087209.db2.gz AWMBEHFKQHHYBC-HNNXBMFYSA-N 1 0 346.496 4.210 50 0 EIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OC1CCCCCC1 ZINC000299802642 258105729 /nfs/dbraw/zinc/10/57/29/258105729.db2.gz UROJJKQUBVZZAF-UHFFFAOYSA-N 1 0 340.467 4.482 50 0 EIAARO C[C@H](OC[C@H](O)C[NH+]1CCCCCCC1)c1ccc(Cl)cc1 ZINC000006939131 258052662 /nfs/dbraw/zinc/05/26/62/258052662.db2.gz LOYOOYSZLJKMLM-MAUKXSAKSA-N 1 0 325.880 4.045 50 0 EIAARO C[N@@H+]1CCCN(C(=O)Nc2ccc(-c3cccc(Cl)c3)cc2)CC1 ZINC000299760653 258077907 /nfs/dbraw/zinc/07/79/07/258077907.db2.gz IRMALAHPYGSJAK-UHFFFAOYSA-N 1 0 343.858 4.176 50 0 EIAARO COc1cccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)c1 ZINC000055291881 132194284 /nfs/dbraw/zinc/19/42/84/132194284.db2.gz PHKGLPLDEZRZMW-UHFFFAOYSA-N 1 0 332.447 4.171 50 0 EIAARO CCCC[NH2+]CCOCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003002649 520691216 /nfs/dbraw/zinc/69/12/16/520691216.db2.gz FJLHGJOZEFGFPX-UHFFFAOYSA-N 1 0 327.896 4.423 50 0 EIAARO Cc1cc(C(C)(C)C)ccc1OCCOCC[NH+]1CCC(C)CC1 ZINC000003003874 524201378 /nfs/dbraw/zinc/20/13/78/524201378.db2.gz OCICWKVGLPKXLP-UHFFFAOYSA-N 1 0 333.516 4.420 50 0 EIAARO Cc1ccc(OCCCC[NH+]2CCCCC2)c(Br)c1 ZINC000003001216 525407612 /nfs/dbraw/zinc/40/76/12/525407612.db2.gz KUSKQSLFNPHSJH-UHFFFAOYSA-N 1 0 326.278 4.402 50 0 EIAARO COCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000008469187 563630742 /nfs/dbraw/zinc/63/07/42/563630742.db2.gz LMDFAEISQDALGC-UHFFFAOYSA-N 1 0 340.250 4.308 50 0 EIAARO CC(C)c1ccc(OCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042770500 563924854 /nfs/dbraw/zinc/92/48/54/563924854.db2.gz ITEHGZXYACUISK-CYBMUJFWSA-N 1 0 326.278 4.341 50 0 EIAARO CCCc1cc(Br)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770280 563924877 /nfs/dbraw/zinc/92/48/77/563924877.db2.gz VKSPMHBFLYXAMQ-ZDUSSCGKSA-N 1 0 326.278 4.170 50 0 EIAARO Cc1ccc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1Cl ZINC000242047883 564088456 /nfs/dbraw/zinc/08/84/56/564088456.db2.gz VQVMLUZYXASLIP-KGLIPLIRSA-N 1 0 339.936 4.198 50 0 EIAARO C[NH+](C)CCO[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000000095 563211379 /nfs/dbraw/zinc/21/13/79/563211379.db2.gz NUNIWXHYABYXKF-QGZVFWFLSA-N 1 0 334.257 4.117 50 0 world EIAARO Cc1ccc(C)c(N2CC[NH+]([C@@H](C)CCc3ccc(O)cc3)CC2)c1 ZINC000000280437 563271853 /nfs/dbraw/zinc/27/18/53/563271853.db2.gz CSKFLVUELGEZKB-IBGZPJMESA-N 1 0 338.495 4.152 50 0 EIAARO C[C@@H]1CCC[C@H]([NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000000355273 563290795 /nfs/dbraw/zinc/29/07/95/563290795.db2.gz NHCIWPSEWAAMFH-MJGOQNOKSA-N 1 0 336.479 4.176 50 0 EIAARO CSc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000071886846 563387681 /nfs/dbraw/zinc/38/76/81/563387681.db2.gz YHNJNZYTIXXAIT-UHFFFAOYSA-N 1 0 331.456 4.343 50 0 EIAARO C[C@@H](O)C[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000005323452 563526876 /nfs/dbraw/zinc/52/68/76/563526876.db2.gz NJNLXENWMKKLLB-OAHLLOKOSA-N 1 0 339.410 4.028 50 0 EIAARO CC(=O)c1ccc(N2CC[NH+]([C@H](C)CCc3ccccc3)CC2)cc1 ZINC000005394055 563531199 /nfs/dbraw/zinc/53/11/99/563531199.db2.gz FAUYGUPXHYXWDI-GOSISDBHSA-N 1 0 336.479 4.033 50 0 EIAARO Brc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1 ZINC000006710082 563581577 /nfs/dbraw/zinc/58/15/77/563581577.db2.gz JLJGPMDCWAQWPX-UHFFFAOYSA-N 1 0 343.224 4.394 50 0 EIAARO CCSc1cccc(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000071911870 563588600 /nfs/dbraw/zinc/58/86/00/563588600.db2.gz MEUHWERZBXKNFN-UHFFFAOYSA-N 1 0 347.528 4.327 50 0 EIAARO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3cccs3)o2)cc1 ZINC000007538937 563605275 /nfs/dbraw/zinc/60/52/75/563605275.db2.gz FVWCMFSTVFFTFR-UHFFFAOYSA-N 1 0 327.405 4.085 50 0 EIAARO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012584832 563663833 /nfs/dbraw/zinc/66/38/33/563663833.db2.gz NAPKOFMVFHYAKB-CQSZACIVSA-N 1 0 339.414 4.179 50 0 EIAARO O=C(CCC1CC[NH+](C[C@H]2CC=CCC2)CC1)Nc1ccccc1 ZINC000012711641 563668738 /nfs/dbraw/zinc/66/87/38/563668738.db2.gz HWGZDUYRHJJCNN-IBGZPJMESA-N 1 0 326.484 4.474 50 0 EIAARO CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C[NH2+]C(C)(C)C ZINC000032652001 563676769 /nfs/dbraw/zinc/67/67/69/563676769.db2.gz GXMOPEOHGFAOLD-UHFFFAOYSA-N 1 0 330.472 4.002 50 0 EIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000012985947 563681925 /nfs/dbraw/zinc/68/19/25/563681925.db2.gz RQEOFDOXFRRFQL-UHFFFAOYSA-N 1 0 344.458 4.234 50 0 in-vivo EIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000012984875 563681998 /nfs/dbraw/zinc/68/19/98/563681998.db2.gz OAEGFEMXXSRMRH-FQEVSTJZSA-N 1 0 338.451 4.251 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1)c1ccccc1 ZINC000014182294 563747789 /nfs/dbraw/zinc/74/77/89/563747789.db2.gz SSSMOWIQSNNNDT-QFIPXVFZSA-N 1 0 344.458 4.386 50 0 EIAARO CCOc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000014953016 563768020 /nfs/dbraw/zinc/76/80/20/563768020.db2.gz QOXAGLXDLLSOLC-INIZCTEOSA-N 1 0 335.451 4.430 50 0 EIAARO Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CC[NH2+]CC2)cc1 ZINC000014961002 563768608 /nfs/dbraw/zinc/76/86/08/563768608.db2.gz LZMOSYUFVYJEPY-UHFFFAOYSA-N 1 0 337.854 4.400 50 0 in-vivo EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H](C)CCCC(C)(C)O)cc1C ZINC000015065940 563775018 /nfs/dbraw/zinc/77/50/18/563775018.db2.gz YFAQXHGTSZPHNN-MRXNPFEDSA-N 1 0 329.488 4.113 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)ccc1F ZINC000015068983 563775593 /nfs/dbraw/zinc/77/55/93/563775593.db2.gz STTWHEQTBDYACW-QGZVFWFLSA-N 1 0 332.394 4.050 50 0 EIAARO Cc1cc(C)c(NC(=O)[C@@H](C)[NH2+]C2C3CC4CC(C3)CC2C4)c(C)c1 ZINC000016663586 563819764 /nfs/dbraw/zinc/81/97/64/563819764.db2.gz RJKNNLUENODBCD-SPZRFILISA-N 1 0 340.511 4.353 50 0 EIAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc2ccccc21 ZINC000024189799 563869605 /nfs/dbraw/zinc/86/96/05/563869605.db2.gz CXXCSXWPGBPNGN-UHFFFAOYSA-N 1 0 344.458 4.366 50 0 EIAARO CC(C)C[C@@H](CNC(=O)Nc1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000024975636 563878826 /nfs/dbraw/zinc/87/88/26/563878826.db2.gz YNDQGUFZCXJSDM-LBPRGKRZSA-N 1 0 332.275 4.091 50 0 EIAARO C=C1c2ccccc2NC(=O)N1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000025057165 563880581 /nfs/dbraw/zinc/88/05/81/563880581.db2.gz HWZCTTUNRVLBSU-KRWDZBQOSA-N 1 0 339.464 4.403 50 0 EIAARO O=C(CC[N@H+](Cc1ccccc1)C1CC1)Nc1ccccc1Cl ZINC000026918467 563894053 /nfs/dbraw/zinc/89/40/53/563894053.db2.gz QAQYDZCQVMEQPB-UHFFFAOYSA-N 1 0 328.843 4.333 50 0 EIAARO CCC(C)(C)[NH2+]Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000027358486 563895358 /nfs/dbraw/zinc/89/53/58/563895358.db2.gz XQRRCTAFDXLHTM-UHFFFAOYSA-N 1 0 326.440 4.226 50 0 EIAARO Cc1c2ccc(C)c(C)c2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027579794 563896811 /nfs/dbraw/zinc/89/68/11/563896811.db2.gz ATGUSDWMFSLPGI-UHFFFAOYSA-N 1 0 342.483 4.352 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027584415 563897460 /nfs/dbraw/zinc/89/74/60/563897460.db2.gz FPPACSBUKSPXAP-SFHVURJKSA-N 1 0 342.508 4.404 50 0 EIAARO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1 ZINC000028291357 563902155 /nfs/dbraw/zinc/90/21/55/563902155.db2.gz QSVDKBIDUWZSCG-SFHVURJKSA-N 1 0 342.508 4.260 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029482478 563906561 /nfs/dbraw/zinc/90/65/61/563906561.db2.gz QKPDSNZQERQFIH-SFHVURJKSA-N 1 0 328.843 4.206 50 0 EIAARO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072305255 563914741 /nfs/dbraw/zinc/91/47/41/563914741.db2.gz CLZCHNXWRMROKB-LSDHHAIUSA-N 1 0 340.920 4.193 50 0 EIAARO Clc1cccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)c1 ZINC000000757099 563917732 /nfs/dbraw/zinc/91/77/32/563917732.db2.gz LAUXDMAZKBDZNL-UHFFFAOYSA-N 1 0 328.887 4.137 50 0 EIAARO C[C@@H](Cc1ccccc1F)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455334 563918552 /nfs/dbraw/zinc/91/85/52/563918552.db2.gz PQEUZROJYNBAQX-VQFGERMISA-N 1 0 338.470 4.088 50 0 EIAARO Cc1cc(OCC[C@@H]2CCC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042770252 563924781 /nfs/dbraw/zinc/92/47/81/563924781.db2.gz RLADAOQRUGDCKB-LBPRGKRZSA-N 1 0 346.696 4.488 50 0 EIAARO CC(C)(c1ccccc1)c1ccc(OC2C[NH2+]C2)c(Br)c1 ZINC000042769595 563924782 /nfs/dbraw/zinc/92/47/82/563924782.db2.gz HGOKBSQOFDNZIX-UHFFFAOYSA-N 1 0 346.268 4.126 50 0 EIAARO Brc1cc(Cc2ccccc2)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042774403 563924927 /nfs/dbraw/zinc/92/49/27/563924927.db2.gz YPRPXSCGOHXNMX-MRXNPFEDSA-N 1 0 346.268 4.171 50 0 EIAARO Brc1cc(-c2ccccc2)ccc1OCC1CC[NH2+]CC1 ZINC000042774751 563924933 /nfs/dbraw/zinc/92/49/33/563924933.db2.gz ILEXBPMFOJBPJO-UHFFFAOYSA-N 1 0 346.268 4.495 50 0 EIAARO CC[C@@H](C)[NH2+]CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002823264 563932506 /nfs/dbraw/zinc/93/25/06/563932506.db2.gz DIIAHOBIYALXKE-SNVBAGLBSA-N 1 0 340.678 4.430 50 0 EIAARO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000033040099 563933169 /nfs/dbraw/zinc/93/31/69/563933169.db2.gz FDAGOXUGRCZJLJ-OLZOCXBDSA-N 1 0 334.822 4.465 50 0 EIAARO CCSc1ccccc1NC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000058086300 563937298 /nfs/dbraw/zinc/93/72/98/563937298.db2.gz HXRBXRQFAHKCOM-QGZVFWFLSA-N 1 0 349.544 4.431 50 0 EIAARO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccccc1Cl ZINC000058394249 563944858 /nfs/dbraw/zinc/94/48/58/563944858.db2.gz SIJOSOHXFQZGOU-MRXNPFEDSA-N 1 0 328.843 4.158 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccccc1OC(F)F ZINC000096477564 563954943 /nfs/dbraw/zinc/95/49/43/563954943.db2.gz HUFAYRMIUOMTFI-ZDUSSCGKSA-N 1 0 349.377 4.184 50 0 EIAARO CC(C)c1noc([C@H](C)[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000065393890 563959560 /nfs/dbraw/zinc/95/95/60/563959560.db2.gz LXCQIVKQRWYIIY-NEPJUHHUSA-N 1 0 341.377 4.494 50 0 EIAARO CC1(C)C[C@@H](c2nccn2-c2ccccc2C[NH+]2CCCC2)CCO1 ZINC000071776497 563965745 /nfs/dbraw/zinc/96/57/45/563965745.db2.gz IJMNYLWZMJDGIA-KRWDZBQOSA-N 1 0 339.483 4.141 50 0 EIAARO Cc1cc(-c2nnc(C[NH2+][C@@H](C)[C@@H](C)c3ccccc3)o2)c(C)o1 ZINC000097109997 563968015 /nfs/dbraw/zinc/96/80/15/563968015.db2.gz WLSVMDUXWMXXQJ-KGLIPLIRSA-N 1 0 325.412 4.228 50 0 EIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccc(F)c2)cc1 ZINC000077520633 563970172 /nfs/dbraw/zinc/97/01/72/563970172.db2.gz CHIZGQHQQSMYKE-HXUWFJFHSA-N 1 0 340.442 4.255 50 0 EIAARO OCc1ccc(C[NH2+]C[C@H]2CC3c4ccccc4C2c2ccccc23)o1 ZINC000097212644 563970491 /nfs/dbraw/zinc/97/04/91/563970491.db2.gz MDTJJRUWOHQCMV-CGDGTSQQSA-N 1 0 345.442 4.159 50 0 EIAARO C[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc2c(ccc3ccccc23)o1 ZINC000097034658 563971207 /nfs/dbraw/zinc/97/12/07/563971207.db2.gz DUHKCAMTTOUQPZ-BTYIYWSLSA-N 1 0 339.435 4.026 50 0 EIAARO C[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc2c(ccc3ccccc23)o1 ZINC000097034661 563971220 /nfs/dbraw/zinc/97/12/20/563971220.db2.gz DUHKCAMTTOUQPZ-QVKFZJNVSA-N 1 0 339.435 4.026 50 0 EIAARO Cc1c[nH+]ccc1N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082107043 563972304 /nfs/dbraw/zinc/97/23/04/563972304.db2.gz SXYDHSIBVQLYJT-LJQANCHMSA-N 1 0 332.451 4.019 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000005446863 564004141 /nfs/dbraw/zinc/00/41/41/564004141.db2.gz LECIWVMMBWBHEY-LHZZTNLPSA-N 1 0 349.559 4.233 50 0 EIAARO COc1cccc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000017311951 564011622 /nfs/dbraw/zinc/01/16/22/564011622.db2.gz BRHXPPSKUDKBKZ-UHFFFAOYSA-N 1 0 349.478 4.155 50 0 EIAARO C[C@@H]1CCC[N@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C1 ZINC000105364083 564025111 /nfs/dbraw/zinc/02/51/11/564025111.db2.gz RBCKIFIDZCUQEN-NZIBUEJNSA-N 1 0 331.500 4.033 50 0 biogenic EIAARO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)c(F)c1 ZINC000108372898 564028192 /nfs/dbraw/zinc/02/81/92/564028192.db2.gz BVAGBFMRUZCRAY-GMTAPVOTSA-N 1 0 330.241 4.195 50 0 EIAARO Fc1ccc(F)c(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c1 ZINC000022876377 564030892 /nfs/dbraw/zinc/03/08/92/564030892.db2.gz RBMDUBBCLOBBET-WOJBJXKFSA-N 1 0 334.454 4.194 50 0 EIAARO Cc1cc2c(ncnc2N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000225533032 564047579 /nfs/dbraw/zinc/04/75/79/564047579.db2.gz GIMJXPDIWVJETJ-CZUORRHYSA-N 1 0 326.469 4.103 50 0 EIAARO c1n(CCCOc2ccccc2)c2ccccc2[n+]1Cc1ccccc1 ZINC000252499808 564053526 /nfs/dbraw/zinc/05/35/26/564053526.db2.gz SEXNHSDSNFBNJE-UHFFFAOYSA-N 1 0 343.450 4.446 50 0 EIAARO Oc1cccc2c1CC[C@H]2[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000083455498 564063269 /nfs/dbraw/zinc/06/32/69/564063269.db2.gz XBTXINYRECFQFJ-CQSZACIVSA-N 1 0 328.462 4.354 50 0 EIAARO Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000084028874 564065854 /nfs/dbraw/zinc/06/58/54/564065854.db2.gz HXUXXKJMGJXARX-UHFFFAOYSA-N 1 0 345.446 4.371 50 0 EIAARO Fc1cc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c2c(c1)COCO2 ZINC000084528473 564068554 /nfs/dbraw/zinc/06/85/54/564068554.db2.gz KUSKJPXJSPZFEA-HXUWFJFHSA-N 1 0 341.426 4.289 50 0 EIAARO C[C@@H]([NH2+]CCn1cnc2ccccc21)c1ccc(Br)cc1 ZINC000084651514 564069347 /nfs/dbraw/zinc/06/93/47/564069347.db2.gz SPNOQATXOBTOLG-CYBMUJFWSA-N 1 0 344.256 4.150 50 0 EIAARO C[C@H]([NH2+]CCn1cnc2ccccc21)c1ccc(Br)cc1 ZINC000084651513 564069349 /nfs/dbraw/zinc/06/93/49/564069349.db2.gz SPNOQATXOBTOLG-ZDUSSCGKSA-N 1 0 344.256 4.150 50 0 EIAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)O[C@H](C)C2 ZINC000084718062 564069812 /nfs/dbraw/zinc/06/98/12/564069812.db2.gz KNQCITVAWDNUOT-BYCMXARLSA-N 1 0 343.389 4.229 50 0 EIAARO C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c2ccsc2S1 ZINC000090542930 564084642 /nfs/dbraw/zinc/08/46/42/564084642.db2.gz BQMRMHBEIDYWOT-CQJJVWNLSA-N 1 0 341.567 4.318 50 0 EIAARO CCCOc1ccc([C@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001817886 564088731 /nfs/dbraw/zinc/08/87/31/564088731.db2.gz PRFDGICCQOULOE-YADHBBJMSA-N 1 0 339.479 4.388 50 0 EIAARO CCN(CC(=O)N1CCc2ccccc21)[C@H](C)c1cc2ccccc2o1 ZINC000064349222 564089281 /nfs/dbraw/zinc/08/92/81/564089281.db2.gz PHVCPXAVFDDSRM-MRXNPFEDSA-N 1 0 348.446 4.405 50 0 EIAARO CC(C)[C@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000075572515 564089605 /nfs/dbraw/zinc/08/96/05/564089605.db2.gz CSNQEJBNULUUJS-SFHVURJKSA-N 1 0 332.488 4.373 50 0 EIAARO CC(C)[C@@H]([NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000075572517 564089607 /nfs/dbraw/zinc/08/96/07/564089607.db2.gz CSNQEJBNULUUJS-GOSISDBHSA-N 1 0 332.488 4.373 50 0 EIAARO CNC(=O)c1ccc(C[NH2+][C@H](c2cccs2)C2CCCC2)cc1 ZINC000089391874 564089958 /nfs/dbraw/zinc/08/99/58/564089958.db2.gz IUQOVNJANZPBHI-SFHVURJKSA-N 1 0 328.481 4.129 50 0 EIAARO Cc1ccc(NC(=O)C[NH2+]CCCSc2ccccc2)cc1C ZINC000006559588 564092063 /nfs/dbraw/zinc/09/20/63/564092063.db2.gz SDZBTPGLLVSEDN-UHFFFAOYSA-N 1 0 328.481 4.014 50 0 EIAARO Cc1c2cccc(Cl)c2oc1C(=O)NC[C@H](c1ccco1)N(C)C ZINC000006608947 564093218 /nfs/dbraw/zinc/09/32/18/564093218.db2.gz JMOGGVIWCLTQHU-CQSZACIVSA-N 1 0 346.814 4.020 50 0 EIAARO COc1ccccc1OCCC[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006624649 564094632 /nfs/dbraw/zinc/09/46/32/564094632.db2.gz ADUGBERARZJNJN-GOSISDBHSA-N 1 0 326.440 4.086 50 0 biogenic EIAARO CCCCC[NH2+][C@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000006648438 564095288 /nfs/dbraw/zinc/09/52/88/564095288.db2.gz XRSDIKQKWLGQFQ-CYBMUJFWSA-N 1 0 341.480 4.492 50 0 EIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000064818023 564096515 /nfs/dbraw/zinc/09/65/15/564096515.db2.gz UHEKYFPOYGUFBK-SFHVURJKSA-N 1 0 334.463 4.005 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccco1 ZINC000169679090 564098161 /nfs/dbraw/zinc/09/81/61/564098161.db2.gz SNVSHTKNKJZTEN-AZUAARDMSA-N 1 0 345.483 4.075 50 0 EIAARO Cc1ccc(-c2csc3ncnc(NCC[NH2+]C(C)(C)C)c23)cc1 ZINC000065591294 564107903 /nfs/dbraw/zinc/10/79/03/564107903.db2.gz XXGPKKCERYXJLZ-UHFFFAOYSA-N 1 0 340.496 4.467 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CCOCCSc2ccc(Cl)cc2)C1 ZINC000002824024 564117031 /nfs/dbraw/zinc/11/70/31/564117031.db2.gz SFMLQAVQSGBTMM-GJZGRUSLSA-N 1 0 327.921 4.427 50 0 EIAARO CCC([NH3+])(CC)CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000170677168 564121384 /nfs/dbraw/zinc/12/13/84/564121384.db2.gz VSIJCGOCCKPABT-UHFFFAOYSA-N 1 0 348.393 4.004 50 0 EIAARO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194955693 564122644 /nfs/dbraw/zinc/12/26/44/564122644.db2.gz RGKVBYGSOFLQSW-QWRGUYRKSA-N 1 0 341.377 4.180 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000007811936 564123953 /nfs/dbraw/zinc/12/39/53/564123953.db2.gz BNVNGPYGYNSMGN-HDICACEKSA-N 1 0 336.479 4.194 50 0 EIAARO C[C@@H]([NH2+][C@H](C)c1ccncc1F)c1ccc2c(c1)COC(C)(C)O2 ZINC000253416000 564130769 /nfs/dbraw/zinc/13/07/69/564130769.db2.gz IZUOULLTUYRLRB-CHWSQXEVSA-N 1 0 330.403 4.278 50 0 EIAARO CCc1nnc(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000253417238 564130833 /nfs/dbraw/zinc/13/08/33/564130833.db2.gz CMTHNOUOBAIFOH-KGLIPLIRSA-N 1 0 339.361 4.077 50 0 EIAARO CC(C)(C)OC(=O)CCC(C)(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000079051419 564137734 /nfs/dbraw/zinc/13/77/34/564137734.db2.gz BLFVJVBMIPEEKT-UHFFFAOYSA-N 1 0 328.456 4.225 50 0 EIAARO Cc1ccccc1[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000095967944 564143126 /nfs/dbraw/zinc/14/31/26/564143126.db2.gz PGRAQIQGWPHNQE-YWZLYKJASA-N 1 0 343.492 4.200 50 0 EIAARO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)c(OC[C@@H]2CCOC2)c1 ZINC000095969169 564143293 /nfs/dbraw/zinc/14/32/93/564143293.db2.gz IQBBDRXDGINPRJ-JKSUJKDBSA-N 1 0 331.481 4.323 50 0 EIAARO C[C@H]1C[C@H]([NH2+]C[C@H]2CC(=O)Nc3ccccc32)c2ccsc2S1 ZINC000095968960 564143308 /nfs/dbraw/zinc/14/33/08/564143308.db2.gz FPMPWQIDAVKXIY-OZVIIMIRSA-N 1 0 344.505 4.389 50 0 EIAARO CCCCSc1ccccc1N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000096026569 564144983 /nfs/dbraw/zinc/14/49/83/564144983.db2.gz IRNIUSIEMBTWJH-PKOBYXMFSA-N 1 0 348.556 4.004 50 0 EIAARO Cc1ccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)cc1 ZINC000003058333 564154786 /nfs/dbraw/zinc/15/47/86/564154786.db2.gz YCEJRLRPLYVOIS-UHFFFAOYSA-N 1 0 331.529 4.031 50 0 EIAARO Cc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)c1C ZINC000003058403 564154808 /nfs/dbraw/zinc/15/48/08/564154808.db2.gz GSWNZJPKRLGNKJ-UHFFFAOYSA-N 1 0 345.556 4.339 50 0 EIAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc2ccccc21 ZINC000031565965 564159576 /nfs/dbraw/zinc/15/95/76/564159576.db2.gz FUBJWUGGYWTTHI-FQEVSTJZSA-N 1 0 344.458 4.234 50 0 EIAARO CC1(C)C[C@@H]([NH2+][C@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 ZINC000032124143 564160903 /nfs/dbraw/zinc/16/09/03/564160903.db2.gz UNXPLMJNVBBABN-FXAWDEMLSA-N 1 0 339.435 4.052 50 0 biogenic EIAARO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCCCCC1 ZINC000008338881 564164606 /nfs/dbraw/zinc/16/46/06/564164606.db2.gz QEXMTYHWYYXLGC-ZDUSSCGKSA-N 1 0 328.378 4.299 50 0 EIAARO CCN(CC)c1ccc2[nH]c(C)c(C[NH+]3CCCCC3)c(=O)c2c1 ZINC000008717365 564166770 /nfs/dbraw/zinc/16/67/70/564166770.db2.gz PCEJDRUUSBCEAX-UHFFFAOYSA-N 1 0 327.472 4.081 50 0 EIAARO O=C(c1ccccc1-c1ccccc1)N1CCC[C@H](n2ccnc2)C1 ZINC000069657246 564171234 /nfs/dbraw/zinc/17/12/34/564171234.db2.gz WNSZWASLBICJFV-SFHVURJKSA-N 1 0 331.419 4.027 50 0 EIAARO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1nc(-c2cccnc2)no1 ZINC000069679465 564171457 /nfs/dbraw/zinc/17/14/57/564171457.db2.gz RADWUCFYGCKYPE-OALUTQOASA-N 1 0 348.450 4.290 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1)c1cccc(F)c1 ZINC000174024666 564173706 /nfs/dbraw/zinc/17/37/06/564173706.db2.gz RVFIKDIZCBTWMC-HNNXBMFYSA-N 1 0 349.409 4.324 50 0 EIAARO Cc1cccc(CNC(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)c1 ZINC000065238953 568421279 /nfs/dbraw/zinc/42/12/79/568421279.db2.gz YLKRJGUJGLMQCY-UHFFFAOYSA-N 1 0 340.492 4.245 50 0 EIAARO C[C@@]1(COc2ccncc2)CCCN(Cc2ccc(F)cc2F)C1 ZINC000257184950 1022689423 /nfs/dbraw/zinc/68/94/23/1022689423.db2.gz JAQLUZHPNIKWFT-LJQANCHMSA-N 1 0 332.394 4.041 50 0 EIAARO C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000195409451 1025900762 /nfs/dbraw/zinc/90/07/62/1025900762.db2.gz JNDSKGCNYCJSBJ-HNNXBMFYSA-N 1 0 328.500 4.036 50 0 EIAARO CC(=O)c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000023114952 1027733215 /nfs/dbraw/zinc/73/32/15/1027733215.db2.gz AWMHRBYEPMUHDD-UHFFFAOYSA-N 1 0 344.458 4.365 50 0 EIAARO CCC[N@H+](C)C[C@@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000081571114 1040082541 /nfs/dbraw/zinc/08/25/41/1040082541.db2.gz KRYMVIMIPBDXAH-HNNXBMFYSA-N 1 0 347.890 4.159 50 0 EIAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000012757191 1041410787 /nfs/dbraw/zinc/41/07/87/1041410787.db2.gz WQHGZBFOVDTXEX-OAHLLOKOSA-N 1 0 348.899 4.138 50 0 EIAARO c1ccc(OCc2noc(C[N@@H+]3CC[C@H](C4CCCCC4)C3)n2)cc1 ZINC000011934732 1043756830 /nfs/dbraw/zinc/75/68/30/1043756830.db2.gz IFZYJCGFVUXDFS-KRWDZBQOSA-N 1 0 341.455 4.051 50 0 EIAARO Cc1ccc(-c2ccc(C(=O)N(C)CCC[NH+]3CCCC3)cc2)cc1 ZINC000823636610 1044304994 /nfs/dbraw/zinc/30/49/94/1044304994.db2.gz ACFPRNCIQBQYRN-UHFFFAOYSA-N 1 0 336.479 4.220 50 0 EIAARO COc1cccc([C@@H]2CC[N@@H+]2Cc2cc(C)ccc2-n2cccn2)c1 ZINC000824774921 1044527881 /nfs/dbraw/zinc/52/78/81/1044527881.db2.gz SKYXVAFFAKNRNM-FQEVSTJZSA-N 1 0 333.435 4.136 50 0 EIAARO Cc1cccc(-c2ncc(C[N@@H+]3CCC[C@@H]3c3cccnc3)cn2)c1 ZINC000825224762 1044620384 /nfs/dbraw/zinc/62/03/84/1044620384.db2.gz DZVLSFMVAOMOAN-HXUWFJFHSA-N 1 0 330.435 4.184 50 0 EIAARO O=C(Cc1c(F)cccc1Cl)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000827846843 1044910187 /nfs/dbraw/zinc/91/01/87/1044910187.db2.gz CHVSLKXUOISJHO-UHFFFAOYSA-N 1 0 346.833 4.256 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc2cccc(F)c2n1 ZINC000828170811 1044948221 /nfs/dbraw/zinc/94/82/21/1044948221.db2.gz SUOMNQJSCHCKIV-UHFFFAOYSA-N 1 0 349.409 4.222 50 0 EIAARO Cc1ccc(C[NH2+][C@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)o1 ZINC000012387522 1045141921 /nfs/dbraw/zinc/14/19/21/1045141921.db2.gz PRAAICMOANKBPN-INIZCTEOSA-N 1 0 327.472 4.479 50 0 EIAARO Cc1ccc(-c2ncc(C[NH2+]C[C@@H]3COc4ccccc43)s2)cc1 ZINC000585083616 1049399829 /nfs/dbraw/zinc/39/98/29/1049399829.db2.gz PQRMHIDUSQZROC-MRXNPFEDSA-N 1 0 336.460 4.384 50 0 EIAARO CC[N@H+](Cc1cccc(OCC(F)(F)F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000585084881 1049445598 /nfs/dbraw/zinc/44/55/98/1049445598.db2.gz YFZKXMLHXMBORX-OAHLLOKOSA-N 1 0 345.405 4.407 50 0 EIAARO COC(C)(C)[C@H](C)[NH2+]C1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000952845227 1049676402 /nfs/dbraw/zinc/67/64/02/1049676402.db2.gz HHNLKUQYPMGMSG-ZDUSSCGKSA-N 1 0 344.421 4.077 50 0 EIAARO CCc1nccn1CCC(=O)N[C@@H](c1cccs1)C1CCCCC1 ZINC000952988694 1049692053 /nfs/dbraw/zinc/69/20/53/1049692053.db2.gz OLKLAMOCHMQPTJ-LJQANCHMSA-N 1 0 345.512 4.335 50 0 EIAARO c1coc([C@@H](CC[NH2+]Cc2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000952988299 1049692379 /nfs/dbraw/zinc/69/23/79/1049692379.db2.gz NFUJXTXNMJMCBG-IBGZPJMESA-N 1 0 349.430 4.363 50 0 EIAARO Cc1ccncc1CCC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000368585663 1054655743 /nfs/dbraw/zinc/65/57/43/1054655743.db2.gz WJFFEPKLUWDYAH-SFHVURJKSA-N 1 0 335.451 4.343 50 0 EIAARO C[N@@H+]1CCC[C@H]1CCn1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000065427969 1059934229 /nfs/dbraw/zinc/93/42/29/1059934229.db2.gz DOLUSHLCTWGDBN-IBGZPJMESA-N 1 0 332.451 4.096 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC000581806717 1060016126 /nfs/dbraw/zinc/01/61/26/1060016126.db2.gz VTYVLHHXBDFOQA-SFHVURJKSA-N 1 0 329.488 4.203 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)CCC2CCCC2)CC1 ZINC000581808536 1060023690 /nfs/dbraw/zinc/02/36/90/1060023690.db2.gz BHEHRPSDLMJQOA-UHFFFAOYSA-N 1 0 329.488 4.203 50 0 EIAARO CC(C)c1ccc(C[NH+]2CCC(C(=O)NC3CCCC3)CC2)cc1 ZINC000004700008 210251678 /nfs/dbraw/zinc/25/16/78/210251678.db2.gz VMJQJUFKJSTJNI-UHFFFAOYSA-N 1 0 328.500 4.081 50 0 EIAARO CC[C@H](C)[N@H+](Cc1c(C)nc2ccc(Cl)cn21)Cc1ccncc1 ZINC000055099257 214272006 /nfs/dbraw/zinc/27/20/06/214272006.db2.gz JVAQTNGDMFPCRK-AWEZNQCLSA-N 1 0 342.874 4.492 50 0 EIAARO CC[C@H](C)[N@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccncc1 ZINC000055358210 214311674 /nfs/dbraw/zinc/31/16/74/214311674.db2.gz YMZJFARGYILQHK-AWEZNQCLSA-N 1 0 326.469 4.334 50 0 EIAARO c1csc(C[N@H+](Cc2cccc3cccnc32)C[C@@H]2CCCO2)c1 ZINC000055527838 214327057 /nfs/dbraw/zinc/32/70/57/214327057.db2.gz GHBSLMGTYVRKPV-SFHVURJKSA-N 1 0 338.476 4.478 50 0 EIAARO C/C(=C/C(=O)Nc1ccccc1C[NH+]1CCCC1)c1ccccc1F ZINC000056396469 214373890 /nfs/dbraw/zinc/37/38/90/214373890.db2.gz NEKJFQDJOMFVGO-PEZBUJJGSA-N 1 0 338.426 4.464 50 0 EIAARO Cc1cc(CN2CC[NH+]([C@@H](C)c3ccc4ccccc4c3)CC2)no1 ZINC000056491090 214377325 /nfs/dbraw/zinc/37/73/25/214377325.db2.gz CIMWISCDKQKWAE-KRWDZBQOSA-N 1 0 335.451 4.015 50 0 EIAARO CC[NH+](CC)CCNc1cc(-c2nc(C)cs2)nc2ccccc21 ZINC000004542903 210218440 /nfs/dbraw/zinc/21/84/40/210218440.db2.gz PEHLXOOSCOCFRR-UHFFFAOYSA-N 1 0 340.496 4.420 50 0 EIAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1cccs1 ZINC000004413546 210189669 /nfs/dbraw/zinc/18/96/69/210189669.db2.gz SXGSCRGKOQPVLR-UHFFFAOYSA-N 1 0 340.448 4.021 50 0 EIAARO [NH2+]=C1c2ccccc2CN1CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000100929288 219112156 /nfs/dbraw/zinc/11/21/56/219112156.db2.gz VACMNOCIUSOJRB-UHFFFAOYSA-N 1 0 326.399 4.377 50 0 EIAARO C[C@H](c1ccc(-c2cccc(F)c2C(N)=O)cc1)[NH+]1CCCCC1 ZINC000065380324 214881915 /nfs/dbraw/zinc/88/19/15/214881915.db2.gz CAYFSEKZISGRGN-CQSZACIVSA-N 1 0 326.415 4.139 50 0 EIAARO Cc1noc(-c2ccnc(-c3cccc([C@@H](C)[NH+]4CCCC4)c3)c2)n1 ZINC000065526104 214946435 /nfs/dbraw/zinc/94/64/35/214946435.db2.gz ROWSEBVEBRZIPT-CQSZACIVSA-N 1 0 334.423 4.264 50 0 EIAARO Cc1ccc(C)c([N+]2=C3CCCCCN3[C@@](O)(c3cccs3)C2)c1 ZINC000004086865 210115926 /nfs/dbraw/zinc/11/59/26/210115926.db2.gz ZFTGBJMPPFSFCW-FQEVSTJZSA-N 1 0 341.500 4.015 50 0 EIAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000101949798 219175661 /nfs/dbraw/zinc/17/56/61/219175661.db2.gz FWTTXYNSOPPUIQ-PMOLBWCYSA-N 1 0 348.446 4.291 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000003428463 210036912 /nfs/dbraw/zinc/03/69/12/210036912.db2.gz RUFJTGBERFBNPP-QFIPXVFZSA-N 1 0 344.458 4.386 50 0 EIAARO Cc1sc2ncnc(NC[C@@H](c3ccco3)[NH+]3CCCC3)c2c1C ZINC000003349299 210015709 /nfs/dbraw/zinc/01/57/09/210015709.db2.gz QWYQBXMPVKVMCU-AWEZNQCLSA-N 1 0 342.468 4.150 50 0 EIAARO Cc1nc2sc(-c3ccccc3)cc2c(NCCC[NH+](C)C)n1 ZINC000003328132 210008101 /nfs/dbraw/zinc/00/81/01/210008101.db2.gz XYXYMLOPTPHWLN-UHFFFAOYSA-N 1 0 326.469 4.030 50 0 EIAARO Brc1cc(-c2ccccc2)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000042774732 213533402 /nfs/dbraw/zinc/53/34/02/213533402.db2.gz ABJZHIMUHXSHQZ-OAHLLOKOSA-N 1 0 332.241 4.247 50 0 EIAARO CCC/C=C/C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(C)oc1C)C2 ZINC000067842827 215226692 /nfs/dbraw/zinc/22/66/92/215226692.db2.gz YFBBBJSXIZMISH-IRUYWQDXSA-N 1 0 344.499 4.181 50 0 EIAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1ccco1)CCO2 ZINC000067966482 215261707 /nfs/dbraw/zinc/26/17/07/215261707.db2.gz LDWSZUVFIMRQTE-UHFFFAOYSA-N 1 0 335.403 4.355 50 0 EIAARO CC(C)(C)OC(=O)N1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000040450012 213305384 /nfs/dbraw/zinc/30/53/84/213305384.db2.gz JOLUJGJHYSSPCF-NRFANRHFSA-N 1 0 344.499 4.300 50 0 EIAARO Cc1onc(-c2ccccc2)c1-c1csc(C2CC[NH2+]CC2)n1 ZINC000040448174 213304683 /nfs/dbraw/zinc/30/46/83/213304683.db2.gz JGNQGLVOXXPGDJ-UHFFFAOYSA-N 1 0 325.437 4.241 50 0 EIAARO C[NH+](C)[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccco1 ZINC000040160657 213276720 /nfs/dbraw/zinc/27/67/20/213276720.db2.gz NCFZYXJGSGJJGK-NSHDSACASA-N 1 0 333.741 4.062 50 0 EIAARO CCc1ccc(C[NH2+]CC[C@](O)(c2ccc(C)o2)C(F)(F)F)cc1 ZINC000040088630 213261594 /nfs/dbraw/zinc/26/15/94/213261594.db2.gz ADGJRILEMVTHMA-KRWDZBQOSA-N 1 0 341.373 4.080 50 0 EIAARO Cc1ccc(NC(=S)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000036847519 213122395 /nfs/dbraw/zinc/12/23/95/213122395.db2.gz VQVMLUZYXASLIP-UONOGXRCSA-N 1 0 339.936 4.198 50 0 EIAARO CC(C)C[NH2+]Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000036154298 213074725 /nfs/dbraw/zinc/07/47/25/213074725.db2.gz NWZAQNAFHRNQIZ-UHFFFAOYSA-N 1 0 347.871 4.051 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096905 213062884 /nfs/dbraw/zinc/06/28/84/213062884.db2.gz NJDZQVWFUNLYOV-APWZRJJASA-N 1 0 347.886 4.380 50 0 EIAARO CC(C)CC[N@@H+](Cc1ccccc1F)C[C@H](O)COc1ccccc1 ZINC000036031074 213057115 /nfs/dbraw/zinc/05/71/15/213057115.db2.gz DEDCKYMPDMPWHI-IBGZPJMESA-N 1 0 345.458 4.114 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)c1ccccc1)c1ccccc1 ZINC000032903887 212866103 /nfs/dbraw/zinc/86/61/03/212866103.db2.gz LYYDTACEWCLSHC-HXUWFJFHSA-N 1 0 338.495 4.164 50 0 EIAARO Cc1cccc2[nH]c(C3CC[NH+](Cc4ccnc(C(C)C)n4)CC3)nc21 ZINC000072140515 216026973 /nfs/dbraw/zinc/02/69/73/216026973.db2.gz NRLDETPQTHLVAY-UHFFFAOYSA-N 1 0 349.482 4.164 50 0 EIAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC000072143484 216029488 /nfs/dbraw/zinc/02/94/88/216029488.db2.gz WLRPDDANSNLCGK-NRFANRHFSA-N 1 0 336.479 4.234 50 0 EIAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC000072167623 216057022 /nfs/dbraw/zinc/05/70/22/216057022.db2.gz KPPGPOHXHWUZOM-FQEVSTJZSA-N 1 0 346.478 4.166 50 0 EIAARO C[C@H]1CCCN1C(=O)CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000072304882 216143636 /nfs/dbraw/zinc/14/36/36/216143636.db2.gz BDKRPOCMYMEVGJ-KRWDZBQOSA-N 1 0 334.463 4.070 50 0 EIAARO CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[NH2+]1 ZINC000072343425 216159864 /nfs/dbraw/zinc/15/98/64/216159864.db2.gz KOASFUDFEFWKPR-AWEZNQCLSA-N 1 0 330.497 4.114 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cc2c(cccc2F)s1)c1ccsc1 ZINC000023133009 212353528 /nfs/dbraw/zinc/35/35/28/212353528.db2.gz LQPFTNCEMBYQTA-CQSZACIVSA-N 1 0 348.468 4.135 50 0 EIAARO O=C(NCC1CC[NH+](Cc2ccco2)CC1)c1ccc2ccccc2c1 ZINC000023128033 212351964 /nfs/dbraw/zinc/35/19/64/212351964.db2.gz XUPBCVTXKIHBED-UHFFFAOYSA-N 1 0 348.446 4.075 50 0 EIAARO Cc1cc2c(cc1F)Sc1ccccc1C[C@H]2N1CC[NH+](C)CC1 ZINC000022865725 212330556 /nfs/dbraw/zinc/33/05/56/212330556.db2.gz WDCMRUBHRJXTRJ-GOSISDBHSA-N 1 0 342.483 4.130 50 0 EIAARO Cc1nc(CN(C)Cc2cc(C[NH+]3CCCCC3)cs2)cs1 ZINC000215210867 241111371 /nfs/dbraw/zinc/11/13/71/241111371.db2.gz JODXQQUEORZMEM-UHFFFAOYSA-N 1 0 335.542 4.131 50 0 EIAARO Cc1ccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCCC4)c32)cc1 ZINC000075483510 216623762 /nfs/dbraw/zinc/62/37/62/216623762.db2.gz JIHZUHJGLHCCCJ-UHFFFAOYSA-N 1 0 333.435 4.324 50 0 EIAARO [NH3+]C[C@@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 ZINC000021811803 212253357 /nfs/dbraw/zinc/25/33/57/212253357.db2.gz QZUWGSTWDIGMRY-AWEZNQCLSA-N 1 0 327.280 4.113 50 0 EIAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F)O[C@@H](C)C2 ZINC000229733197 242194462 /nfs/dbraw/zinc/19/44/62/242194462.db2.gz KNQCITVAWDNUOT-NILFDRSVSA-N 1 0 343.389 4.229 50 0 EIAARO Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000230155348 242240351 /nfs/dbraw/zinc/24/03/51/242240351.db2.gz IGPYNVWOPXOSNE-MOPGFXCFSA-N 1 0 343.515 4.422 50 0 EIAARO Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170721 212213909 /nfs/dbraw/zinc/21/39/09/212213909.db2.gz VSKHTSNEOFXCKY-HXUWFJFHSA-N 1 0 328.500 4.256 50 0 EIAARO CC[C@](O)(c1ccc(O)cc1)[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000020868795 212179896 /nfs/dbraw/zinc/17/98/96/212179896.db2.gz KAYFXOWCCDAIGV-VXKWHMMOSA-N 1 0 339.479 4.260 50 0 EIAARO Cc1ccc2c(C[N@@H+]3CCC=C(c4cccnc4)C3)cc(=O)oc2c1C ZINC000241774023 243002041 /nfs/dbraw/zinc/00/20/41/243002041.db2.gz RMJOQNJRNBZJLM-UHFFFAOYSA-N 1 0 346.430 4.094 50 0 EIAARO CN1CC[NH+](CC[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020590849 212150283 /nfs/dbraw/zinc/15/02/83/212150283.db2.gz XKKQWHDMZSAMNH-HXUWFJFHSA-N 1 0 328.887 4.109 50 0 EIAARO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H]([NH2+]Cc2ccoc2)C1 ZINC000020540122 212145579 /nfs/dbraw/zinc/14/55/79/212145579.db2.gz OPNLVWSRSUFIQG-GOSISDBHSA-N 1 0 339.414 4.408 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(C)c(C)c1)[NH2+]CC2 ZINC000020506985 212141479 /nfs/dbraw/zinc/14/14/79/212141479.db2.gz NTXTUAGTHQGWIM-OAQYLSRUSA-N 1 0 325.452 4.336 50 0 EIAARO Clc1ccc([C@H](Cc2ccccc2)[NH2+][C@H]2CN3CCC2CC3)cc1 ZINC000020358204 212122551 /nfs/dbraw/zinc/12/25/51/212122551.db2.gz MQPKSHNJHJHMPA-SFTDATJTSA-N 1 0 340.898 4.308 50 0 EIAARO Cc1ccc(C[NH2+]C[C@](O)(c2ccccc2)c2ccc(F)cc2)cc1 ZINC000020365942 212122082 /nfs/dbraw/zinc/12/20/82/212122082.db2.gz AXYNUDBMBNQRFC-QFIPXVFZSA-N 1 0 335.422 4.160 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)[C@H](O)c1ccccc1 ZINC000020312683 212117868 /nfs/dbraw/zinc/11/78/68/212117868.db2.gz LLHIIAUCPXOGKE-XOBRGWDASA-N 1 0 325.383 4.297 50 0 EIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(Br)c2)c1 ZINC000020187456 212109987 /nfs/dbraw/zinc/10/99/87/212109987.db2.gz BMBZMYBTMVCHOD-GFCCVEGCSA-N 1 0 347.256 4.258 50 0 EIAARO Brc1cccc(C[NH2+]CCc2c[nH]c3ccccc23)c1 ZINC000019797604 212070392 /nfs/dbraw/zinc/07/03/92/212070392.db2.gz NJBOOOMGSPXXEY-UHFFFAOYSA-N 1 0 329.241 4.263 50 0 EIAARO Cc1cccc2c1Sc1ccc(Cl)cc1C[C@H]2N1CC[NH2+]CC1 ZINC000019802207 212070211 /nfs/dbraw/zinc/07/02/11/212070211.db2.gz VLXDGXQTILRZDH-QGZVFWFLSA-N 1 0 344.911 4.302 50 0 EIAARO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000019793682 212068808 /nfs/dbraw/zinc/06/88/08/212068808.db2.gz DVKJHOUVMDCLJM-UHFFFAOYSA-N 1 0 338.838 4.048 50 0 EIAARO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(Br)c2)cc1 ZINC000019637252 212052280 /nfs/dbraw/zinc/05/22/80/212052280.db2.gz BRGAIGSKBSRAFP-ZDUSSCGKSA-N 1 0 334.257 4.179 50 0 EIAARO COc1ccc(CC[NH2+]Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000019560643 212042362 /nfs/dbraw/zinc/04/23/62/212042362.db2.gz XNGVYJJBCCYZHN-UHFFFAOYSA-N 1 0 339.357 4.055 50 0 EIAARO CCc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019359637 212020811 /nfs/dbraw/zinc/02/08/11/212020811.db2.gz WYKLMLBMHDEGJT-UHFFFAOYSA-N 1 0 333.479 4.048 50 0 EIAARO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016607320 211920795 /nfs/dbraw/zinc/92/07/95/211920795.db2.gz ULPSSKRLOJJMMQ-UHFFFAOYSA-N 1 0 328.500 4.128 50 0 EIAARO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CCSCC3)C2)c1 ZINC000012429999 211378536 /nfs/dbraw/zinc/37/85/36/211378536.db2.gz ZBNHEUQCSBYTRB-QGZVFWFLSA-N 1 0 347.524 4.264 50 0 EIAARO CN(C)c1ncccc1C[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000012472039 211390949 /nfs/dbraw/zinc/39/09/49/211390949.db2.gz BRASLIGBENQXIQ-UHFFFAOYSA-N 1 0 333.435 4.230 50 0 EIAARO COCC[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1cccc(C)c1 ZINC000012459326 211388602 /nfs/dbraw/zinc/38/86/02/211388602.db2.gz QAGVQJFZUHHBDQ-UHFFFAOYSA-N 1 0 349.478 4.234 50 0 EIAARO O[C@H](C[NH2+]C1CCCCC1)COc1ccccc1-c1ccccc1 ZINC000012420036 211375037 /nfs/dbraw/zinc/37/50/37/211375037.db2.gz UNLDFROGRAIZON-LJQANCHMSA-N 1 0 325.452 4.016 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)cc1C ZINC000012246343 211329942 /nfs/dbraw/zinc/32/99/42/211329942.db2.gz LEMKJYBDROFACD-SFHVURJKSA-N 1 0 341.499 4.305 50 0 EIAARO CC(C)=CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000012202425 211320555 /nfs/dbraw/zinc/32/05/55/211320555.db2.gz CDOGWAOIKGSAAG-HXUWFJFHSA-N 1 0 334.454 4.219 50 0 EIAARO Cc1cccc(C)c1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012055480 211284762 /nfs/dbraw/zinc/28/47/62/211284762.db2.gz NTCFIGIBTHSUTE-GOSISDBHSA-N 1 0 328.500 4.220 50 0 EIAARO C/C=C(\C)C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(-c2cscn2)cc1 ZINC000011874108 211263733 /nfs/dbraw/zinc/26/37/33/211263733.db2.gz GUBQDVJSYYRPSK-WAQLMLCQSA-N 1 0 341.480 4.179 50 0 EIAARO CCC[C@@]1(CO)CCC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC000091519376 218016479 /nfs/dbraw/zinc/01/64/79/218016479.db2.gz GUAZXXIWVUMNGN-HXUWFJFHSA-N 1 0 328.456 4.025 50 0 EIAARO Cc1c(C(=O)N(C)CC[N@H+](C)C2CCCC2)[nH]c2c1c(C)ccc2C ZINC000091793380 218067290 /nfs/dbraw/zinc/06/72/90/218067290.db2.gz RHISRYJETUZGCK-UHFFFAOYSA-N 1 0 341.499 4.040 50 0 EIAARO Cc1cc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1F ZINC000010552341 211181114 /nfs/dbraw/zinc/18/11/14/211181114.db2.gz KNMYAIWQNUGXNY-UHFFFAOYSA-N 1 0 340.442 4.050 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000010310941 211161185 /nfs/dbraw/zinc/16/11/85/211161185.db2.gz UCUCWPMRHLQUQF-SFHVURJKSA-N 1 0 328.843 4.424 50 0 EIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1Cl ZINC000010283920 211160342 /nfs/dbraw/zinc/16/03/42/211160342.db2.gz XPTWJORBBZLWKZ-UHFFFAOYSA-N 1 0 330.859 4.112 50 0 EIAARO O=C(CC[N@@H+]1CCc2sccc2C1)Nc1cccc2ccccc21 ZINC000010093132 211147114 /nfs/dbraw/zinc/14/71/14/211147114.db2.gz VTHQVNFBQIEUIR-UHFFFAOYSA-N 1 0 336.460 4.288 50 0 EIAARO CCC[C@@H](C)[N@H+](C)Cc1nc2sc3c(c2c(N)n1)CCCCC3 ZINC000095350092 218283995 /nfs/dbraw/zinc/28/39/95/218283995.db2.gz GTTLBZUHOPHMPO-GFCCVEGCSA-N 1 0 332.517 4.163 50 0 EIAARO CSc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062802 211037068 /nfs/dbraw/zinc/03/70/68/211037068.db2.gz SHLRCLJUXQSKMY-UHFFFAOYSA-N 1 0 340.492 4.259 50 0 EIAARO CC(C)(C)c1n[nH]cc1C[NH2+]CC1(c2ccc(F)cc2)CCCC1 ZINC000095365097 218298368 /nfs/dbraw/zinc/29/83/68/218298368.db2.gz XZXSXAFZELGGLE-UHFFFAOYSA-N 1 0 329.463 4.448 50 0 EIAARO CCCC[C@H]1C=CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095391104 218322183 /nfs/dbraw/zinc/32/21/83/218322183.db2.gz MNDJGNGUUCJSLI-FQEVSTJZSA-N 1 0 326.484 4.243 50 0 EIAARO O=C(Nc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1)c1cccnc1 ZINC000095421423 218363410 /nfs/dbraw/zinc/36/34/10/218363410.db2.gz JJFVOSFASUQMIQ-OAQYLSRUSA-N 1 0 343.430 4.111 50 0 EIAARO CC[N@H+](CCC1CCN(C(=O)Nc2cccc(C)c2)CC1)CC1CC1 ZINC000095457400 218399269 /nfs/dbraw/zinc/39/92/69/218399269.db2.gz GRMPQVQFHQAXEQ-UHFFFAOYSA-N 1 0 343.515 4.361 50 0 EIAARO CC[NH+](CC)CCC[C@H](C)NC(=O)Nc1cccc2ccccc21 ZINC000005715181 210521500 /nfs/dbraw/zinc/52/15/00/210521500.db2.gz RIYZFSVCQTXEPM-INIZCTEOSA-N 1 0 327.472 4.472 50 0 EIAARO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C(C)(C)C)c1ccccc1 ZINC000005073883 210385311 /nfs/dbraw/zinc/38/53/11/210385311.db2.gz QCDAHAHOFXFTEW-FUHWJXTLSA-N 1 0 327.468 4.075 50 0 EIAARO Cc1cc(C)c(OCC[N@H+]2CCC[C@H](C)C2)c(Br)c1 ZINC000004906897 210319604 /nfs/dbraw/zinc/31/96/04/210319604.db2.gz ZFQKZRDILMMXGJ-LBPRGKRZSA-N 1 0 326.278 4.177 50 0 EIAARO C[NH+](C)CCCNc1nc(-c2ccccc2)nc2c3ccccc3oc21 ZINC000007056015 208579248 /nfs/dbraw/zinc/57/92/48/208579248.db2.gz YBAAZVANDXFHSW-UHFFFAOYSA-N 1 0 346.434 4.407 50 0 EIAARO Cc1cc2occ(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c2c(C)c1 ZINC000004828245 210291298 /nfs/dbraw/zinc/29/12/98/210291298.db2.gz MCALAPZVBGTGFN-UHFFFAOYSA-N 1 0 342.483 4.018 50 0 EIAARO CC(C)(C)c1ccc(CC[C@H]2OC[C@@H](C[NH+]3CCCCC3)O2)cc1 ZINC000000171791 258047707 /nfs/dbraw/zinc/04/77/07/258047707.db2.gz VVQPTNXUXFFVHA-UXHICEINSA-N 1 0 331.500 4.144 50 0 EIAARO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000245304966 258000390 /nfs/dbraw/zinc/00/03/90/258000390.db2.gz HIPXPRGUIYLXAL-ATZDWAIDSA-N 1 0 341.524 4.021 50 0 EIAARO COc1ccc2oc(=O)cc(C[N@H+](Cc3cccs3)C(C)C)c2c1 ZINC000057570182 258061803 /nfs/dbraw/zinc/06/18/03/258061803.db2.gz JGAKBRJDAPZQSO-UHFFFAOYSA-N 1 0 343.448 4.274 50 0 EIAARO COc1ccc(OC)c2nc(-c3cccc(C)c3)c(C[NH+](C)C)cc12 ZINC000072477918 258064791 /nfs/dbraw/zinc/06/47/91/258064791.db2.gz ZQLFMBLEKNQNRX-UHFFFAOYSA-N 1 0 336.435 4.289 50 0 EIAARO COCc1cc(C[NH2+][C@H](C)c2cnc3ccsc3c2)ccc1F ZINC000095422712 522925312 /nfs/dbraw/zinc/92/53/12/522925312.db2.gz RWTYSHSATHZHCD-GFCCVEGCSA-N 1 0 330.428 4.433 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191860394 527084175 /nfs/dbraw/zinc/08/41/75/527084175.db2.gz KDFMCXUBKDVLCS-ZRCAFCQKSA-N 1 0 338.451 4.073 50 0 EIAARO CC(C)[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000215309465 535179247 /nfs/dbraw/zinc/17/92/47/535179247.db2.gz YKUIJNROPSCSOW-FQEVSTJZSA-N 1 0 340.442 4.095 50 0 EIAARO CNC(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)cc1 ZINC000244893036 536422588 /nfs/dbraw/zinc/42/25/88/536422588.db2.gz YUCOABVAUCZEJR-FQEVSTJZSA-N 1 0 340.442 4.303 50 0 EIAARO CCCc1cc(Br)ccc1OCCC1CC[NH2+]CC1 ZINC000042770276 563924824 /nfs/dbraw/zinc/92/48/24/563924824.db2.gz PUULOEXKAMTRPB-UHFFFAOYSA-N 1 0 326.278 4.170 50 0 EIAARO C[C@@H](c1nnc(-c2cccs2)o1)N1CCC[C@H](C(F)(F)F)C1 ZINC000060993438 563992266 /nfs/dbraw/zinc/99/22/66/563992266.db2.gz KQPLJPLDBPQFIU-UWVGGRQHSA-N 1 0 331.363 4.133 50 0 EIAARO COc1ccc(C[NH2+][C@@H]2CC(C)(C)OC[C@H]2Cc2ccccc2)cc1 ZINC000000197362 563257934 /nfs/dbraw/zinc/25/79/34/563257934.db2.gz YXAXNNGFZSMSET-TZIWHRDSSA-N 1 0 339.479 4.211 50 0 EIAARO Cc1ccc(-c2noc(C[NH+]3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000000203395 563259188 /nfs/dbraw/zinc/25/91/88/563259188.db2.gz PLTXCHGVSPMGKU-UHFFFAOYSA-N 1 0 347.462 4.500 50 0 EIAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH+]2CCCCCC2)CCCC1 ZINC000000571507 563349638 /nfs/dbraw/zinc/34/96/38/563349638.db2.gz IEBHUWAFPRHWNL-GOSISDBHSA-N 1 0 340.511 4.065 50 0 EIAARO O=C(c1ccc(Br)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000002515061 563435845 /nfs/dbraw/zinc/43/58/45/563435845.db2.gz JOMIDXITRZUFCX-UHFFFAOYSA-N 1 0 344.252 4.276 50 0 EIAARO O=C(c1cccc(Br)c1)c1ccccc1C[NH+]1CCCC1 ZINC000002515556 563437150 /nfs/dbraw/zinc/43/71/50/563437150.db2.gz HHFOIBBKCQNJSJ-UHFFFAOYSA-N 1 0 344.252 4.276 50 0 EIAARO CCCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccco2)CC1 ZINC000034680505 563449744 /nfs/dbraw/zinc/44/97/44/563449744.db2.gz QTQPNQWSKHJIBJ-UHFFFAOYSA-N 1 0 340.467 4.386 50 0 EIAARO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000034683194 563450956 /nfs/dbraw/zinc/45/09/56/563450956.db2.gz ZNDZNXLOGURQBE-UHFFFAOYSA-N 1 0 344.430 4.216 50 0 EIAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000002828187 563453266 /nfs/dbraw/zinc/45/32/66/563453266.db2.gz YRXOBVZUVKFBOS-UHFFFAOYSA-N 1 0 348.918 4.391 50 0 EIAARO Brc1ccc(OCCCCC[NH+]2CCCCC2)cc1 ZINC000002880464 563460702 /nfs/dbraw/zinc/46/07/02/563460702.db2.gz KVHUCMHFJPVQQW-UHFFFAOYSA-N 1 0 326.278 4.484 50 0 EIAARO CC(C)(C)[NH2+]CCOCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003000756 563469218 /nfs/dbraw/zinc/46/92/18/563469218.db2.gz BAOXFXFMVYUFFF-UHFFFAOYSA-N 1 0 327.896 4.421 50 0 EIAARO COc1ccccc1C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000003848322 563489442 /nfs/dbraw/zinc/48/94/42/563489442.db2.gz SCBLVDQUJQLKRJ-UHFFFAOYSA-N 1 0 347.462 4.465 50 0 EIAARO COc1cc(C)c(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1C ZINC000004980720 563516944 /nfs/dbraw/zinc/51/69/44/563516944.db2.gz QVDDHPUHEMRNAS-UHFFFAOYSA-N 1 0 338.495 4.251 50 0 EIAARO COc1ccc(CC[N@H+](C)C/C(C)=C/c2ccccc2)cc1OC ZINC000006667573 563577042 /nfs/dbraw/zinc/57/70/42/563577042.db2.gz CIAOFGVOCKPCFU-SAPNQHFASA-N 1 0 325.452 4.282 50 0 EIAARO Cc1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(C)c1 ZINC000006700250 563579450 /nfs/dbraw/zinc/57/94/50/563579450.db2.gz JUFNSLDUXNCJPU-UHFFFAOYSA-N 1 0 336.479 4.197 50 0 EIAARO CC(C)c1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000006742537 563584595 /nfs/dbraw/zinc/58/45/95/563584595.db2.gz RNDZSAXZFUYBDF-UHFFFAOYSA-N 1 0 329.488 4.292 50 0 EIAARO COc1cc(C[NH2+]Cc2ccccc2Cl)cc(Cl)c1OC ZINC000008469881 563630926 /nfs/dbraw/zinc/63/09/26/563630926.db2.gz KLCYEPKICWJRKG-UHFFFAOYSA-N 1 0 326.223 4.300 50 0 EIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccsc3)c2C)cc1 ZINC000012707627 563668196 /nfs/dbraw/zinc/66/81/96/563668196.db2.gz LQNVJTQPIMNKOO-ZDUSSCGKSA-N 1 0 327.453 4.102 50 0 EIAARO CCN(CC)c1ncccc1C[NH2+]Cc1[nH]c2ccc(F)cc2c1C ZINC000012714291 563668963 /nfs/dbraw/zinc/66/89/63/563668963.db2.gz MOHFLDGGYJTSLH-UHFFFAOYSA-N 1 0 340.446 4.146 50 0 EIAARO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(C)ccc2OC)c1 ZINC000032751517 563724351 /nfs/dbraw/zinc/72/43/51/563724351.db2.gz KLAZYOKTYBJMDQ-LJQANCHMSA-N 1 0 341.451 4.358 50 0 EIAARO Cn1c(C[NH2+][C@H](Cc2ccccn2)c2ccccc2)nc2ccccc21 ZINC000359154469 563731039 /nfs/dbraw/zinc/73/10/39/563731039.db2.gz OIEAVWQFKYNBIH-HXUWFJFHSA-N 1 0 342.446 4.042 50 0 EIAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3ccccc3C)nc(=O)c2c1C ZINC000014138893 563744361 /nfs/dbraw/zinc/74/43/61/563744361.db2.gz CAGLAWAIGCWEGX-STQMWFEESA-N 1 0 341.480 4.322 50 0 EIAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(F)cc1Cl ZINC000014244091 563754325 /nfs/dbraw/zinc/75/43/25/563754325.db2.gz QKKZRIVTNPLBIC-GOSISDBHSA-N 1 0 346.833 4.046 50 0 EIAARO O=C1CC[C@H](CC[NH2+]Cc2ccccc2F)N1CCC1=CCCCC1 ZINC000014994134 563770869 /nfs/dbraw/zinc/77/08/69/563770869.db2.gz LMZBVRYDNILKMW-LJQANCHMSA-N 1 0 344.474 4.187 50 0 EIAARO O=C(Nc1cccc(F)c1)[C@H]1CC12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014995418 563771014 /nfs/dbraw/zinc/77/10/14/563771014.db2.gz OSHGBSDQLVGQEE-QFBILLFUSA-N 1 0 342.458 4.223 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)ccc1F ZINC000015068985 563775662 /nfs/dbraw/zinc/77/56/62/563775662.db2.gz STTWHEQTBDYACW-KRWDZBQOSA-N 1 0 332.394 4.050 50 0 EIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000015860035 563796574 /nfs/dbraw/zinc/79/65/74/563796574.db2.gz GOWCZKPIPFCRHJ-HXUWFJFHSA-N 1 0 348.446 4.390 50 0 EIAARO CCc1c(C)scc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000016603319 563816372 /nfs/dbraw/zinc/81/63/72/563816372.db2.gz BOXIWQGGCRKALX-UHFFFAOYSA-N 1 0 342.508 4.013 50 0 EIAARO COc1cc2[nH+]c(N3CCc4ccccc4C3)cc(C)c2c(OC)c1 ZINC000016667550 563819797 /nfs/dbraw/zinc/81/97/97/563819797.db2.gz OTKGOXYIHHNWCR-UHFFFAOYSA-N 1 0 334.419 4.123 50 0 EIAARO COc1ccc(C[NH+]2CCN(c3ccc(C)cc3)CC2)c2ccccc12 ZINC000019609013 563856216 /nfs/dbraw/zinc/85/62/16/563856216.db2.gz GHGONIOHXPDOCL-UHFFFAOYSA-N 1 0 346.474 4.479 50 0 EIAARO COc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000025679500 563887406 /nfs/dbraw/zinc/88/74/06/563887406.db2.gz FJJLBJJIRRMJGL-UHFFFAOYSA-N 1 0 348.446 4.309 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000027581876 563897129 /nfs/dbraw/zinc/89/71/29/563897129.db2.gz XYLNAHVWRMFSGL-NRFANRHFSA-N 1 0 336.479 4.260 50 0 EIAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000027663917 563898482 /nfs/dbraw/zinc/89/84/82/563898482.db2.gz QCXVOOGYCYABML-INIZCTEOSA-N 1 0 348.899 4.359 50 0 EIAARO Cc1c(C)n(C[C@@H](O)C[NH2+]Cc2ccccc2)c2c1cccc2Cl ZINC000028296750 563902310 /nfs/dbraw/zinc/90/23/10/563902310.db2.gz UIGPWDODUHDVAJ-KRWDZBQOSA-N 1 0 342.870 4.062 50 0 EIAARO COc1ccc(NC(=O)C[C@H]2c3ccccc3CC(C)(C)[N@H+]2C)cc1 ZINC000000343587 563917421 /nfs/dbraw/zinc/91/74/21/563917421.db2.gz OTNUDQOBBSOGEU-IBGZPJMESA-N 1 0 338.451 4.032 50 0 biogenic EIAARO Cc1cc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc(C)c1Cl ZINC000002674787 563918001 /nfs/dbraw/zinc/91/80/01/563918001.db2.gz ZCYYUSJJSWGWPN-WBVHZDCISA-N 1 0 333.859 4.047 50 0 EIAARO CC(C)(C)c1cc(C[N@@H+]2CCCC[C@@H]2CO)cc(C(C)(C)C)c1O ZINC000004948521 563919003 /nfs/dbraw/zinc/91/90/03/563919003.db2.gz MELWRIWLVQKXIU-MRXNPFEDSA-N 1 0 333.516 4.334 50 0 EIAARO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000044856397 563927199 /nfs/dbraw/zinc/92/71/99/563927199.db2.gz GHUNDMFORQYXGM-GOSISDBHSA-N 1 0 336.479 4.390 50 0 EIAARO CC[C@@H](C)CC[NH2+]C1CCN(c2ccc(-n3ccnc3C)cc2)CC1 ZINC000048371809 563930392 /nfs/dbraw/zinc/93/03/92/563930392.db2.gz KPVGIFRSSADMAI-QGZVFWFLSA-N 1 0 340.515 4.175 50 0 EIAARO COc1cc(CN(C)[C@@H](C)c2nc(C(C)C)no2)ccc1SC ZINC000060356191 563933065 /nfs/dbraw/zinc/93/30/65/563933065.db2.gz YCBJRUYWSWEXCP-LBPRGKRZSA-N 1 0 335.473 4.117 50 0 EIAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1c1cccs1)c1ccccc1C ZINC000058084993 563937314 /nfs/dbraw/zinc/93/73/14/563937314.db2.gz BZMSTNCJNRFLQS-KRWDZBQOSA-N 1 0 328.481 4.247 50 0 EIAARO COc1cccc(C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)c1 ZINC000058121252 563937548 /nfs/dbraw/zinc/93/75/48/563937548.db2.gz ZUWPLZASFOFJAN-UHFFFAOYSA-N 1 0 337.419 4.050 50 0 EIAARO O=C(NC1(c2ccccc2)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000058357619 563943680 /nfs/dbraw/zinc/94/36/80/563943680.db2.gz XDZKMYNDLLWTJY-UHFFFAOYSA-N 1 0 348.490 4.094 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(C2OCCO2)cc1)c1ccccc1OC(F)F ZINC000096477566 563954937 /nfs/dbraw/zinc/95/49/37/563954937.db2.gz HUFAYRMIUOMTFI-CYBMUJFWSA-N 1 0 349.377 4.184 50 0 EIAARO CC[N@H+](Cc1cc(=O)oc2c(C)cc(C)cc12)[C@H]1CCOC(C)(C)C1 ZINC000065491117 563961504 /nfs/dbraw/zinc/96/15/04/563961504.db2.gz ZNKKDBASZSZPSJ-KRWDZBQOSA-N 1 0 343.467 4.189 50 0 EIAARO CC(C)c1nc(CN(C)C(=O)c2ccc([C@H]3CCC[NH2+]3)s2)cs1 ZINC000071416261 563964345 /nfs/dbraw/zinc/96/43/45/563964345.db2.gz QNFIVMWYBAFUJT-CYBMUJFWSA-N 1 0 349.525 4.025 50 0 EIAARO c1cn(C[C@@H](c2ccccc2)[NH+]2CCCCC2)c(-c2ccncc2)n1 ZINC000071757033 563965276 /nfs/dbraw/zinc/96/52/76/563965276.db2.gz YKMGUWHNOMJVBX-FQEVSTJZSA-N 1 0 332.451 4.172 50 0 EIAARO C[C@@H](CCc1cccn1C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000097009655 563966623 /nfs/dbraw/zinc/96/66/23/563966623.db2.gz WPDJKKMSXNKVSD-AWEZNQCLSA-N 1 0 343.471 4.399 50 0 EIAARO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000097032874 563966843 /nfs/dbraw/zinc/96/68/43/563966843.db2.gz AJERHQAKKGVZLF-GJZGRUSLSA-N 1 0 325.431 4.477 50 0 EIAARO COCCC[C@@H]1CCCC[N@@H+]1Cc1ccc2cccc(OC)c2n1 ZINC000077320212 563968929 /nfs/dbraw/zinc/96/89/29/563968929.db2.gz LKTKJTYRNAFKPX-SFHVURJKSA-N 1 0 328.456 4.025 50 0 EIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000077379504 563969280 /nfs/dbraw/zinc/96/92/80/563969280.db2.gz MZHHWXOABWIAHW-DPZZJQGRSA-N 1 0 327.447 4.289 50 0 EIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCC(F)(F)F)cc1 ZINC000077407115 563969485 /nfs/dbraw/zinc/96/94/85/563969485.db2.gz RSSKKHOEBDHICC-INIZCTEOSA-N 1 0 342.405 4.144 50 0 EIAARO CCC[N@@H+]1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1 ZINC000085554778 563973850 /nfs/dbraw/zinc/97/38/50/563973850.db2.gz YJLJVVFOCHHTQG-UHFFFAOYSA-N 1 0 329.494 4.375 50 0 EIAARO c1cc([C@H]2CCCO2)sc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000097117082 563981300 /nfs/dbraw/zinc/98/13/00/563981300.db2.gz SZUAFOZZHZJHCW-QGZVFWFLSA-N 1 0 339.464 4.075 50 0 EIAARO COc1cc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1OC(C)C ZINC000000099477 563981663 /nfs/dbraw/zinc/98/16/63/563981663.db2.gz KQCQEDQQQAKBDX-HXUWFJFHSA-N 1 0 336.435 4.199 50 0 biogenic,in-vitro EIAARO Cc1ccc([C@@H](C)CC[N@H+](C)Cc2cc(-c3ccccn3)no2)o1 ZINC000097532829 563981681 /nfs/dbraw/zinc/98/16/81/563981681.db2.gz SANAOGHYEPKGAR-AWEZNQCLSA-N 1 0 325.412 4.264 50 0 EIAARO C[C@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000300536 563990814 /nfs/dbraw/zinc/99/08/14/563990814.db2.gz XCNCPQPAEDAPFL-UWJYYQICSA-N 1 0 336.479 4.176 50 0 EIAARO CCOc1ccc(CN2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000000207716 563998263 /nfs/dbraw/zinc/99/82/63/563998263.db2.gz PSPQYQCAIXEOBG-UHFFFAOYSA-N 1 0 338.495 4.182 50 0 EIAARO CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccc(Cl)cc1 ZINC000062580890 564006500 /nfs/dbraw/zinc/00/65/00/564006500.db2.gz BSGGBZGAJYWBGI-QGZVFWFLSA-N 1 0 336.907 4.070 50 0 EIAARO COc1ccccc1[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000017314261 564011636 /nfs/dbraw/zinc/01/16/36/564011636.db2.gz AAURNPGXRQSASU-MRXNPFEDSA-N 1 0 349.478 4.408 50 0 EIAARO COc1cc(C[NH2+]C2CC2)cc(Cl)c1OCc1ccccc1F ZINC000008470461 564016334 /nfs/dbraw/zinc/01/63/34/564016334.db2.gz OJAKGGTUTCYSAP-UHFFFAOYSA-N 1 0 335.806 4.319 50 0 EIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000105938533 564025361 /nfs/dbraw/zinc/02/53/61/564025361.db2.gz ULYLRUWNCIPQDB-ZWOKBUDYSA-N 1 0 344.499 4.012 50 0 EIAARO CC1CC[NH+](CCCCNC(=O)c2cc3ccccc3s2)CC1 ZINC000047016648 564025633 /nfs/dbraw/zinc/02/56/33/564025633.db2.gz VADCWPOWDJAMNW-UHFFFAOYSA-N 1 0 330.497 4.143 50 0 EIAARO O=C(CCc1ccccc1Cl)NC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000222404973 564036873 /nfs/dbraw/zinc/03/68/73/564036873.db2.gz FQWXLTSBGMKOJH-MRXNPFEDSA-N 1 0 348.918 4.043 50 0 EIAARO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(CCC(F)(F)F)C1CCCCC1 ZINC000237835122 564051475 /nfs/dbraw/zinc/05/14/75/564051475.db2.gz NRGXDSQLIJNZDS-GOOCMWNKSA-N 1 0 346.437 4.021 50 0 EIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1 ZINC000005788600 564052144 /nfs/dbraw/zinc/05/21/44/564052144.db2.gz JTFAPYUEBOLXAA-CXUGJCBMSA-N 1 0 333.516 4.176 50 0 EIAARO CCCC[NH2+]Cc1nn(Cc2ccccc2F)nc1-c1ccccc1 ZINC000248259657 564053119 /nfs/dbraw/zinc/05/31/19/564053119.db2.gz VUOVLAPNFOQHRK-UHFFFAOYSA-N 1 0 338.430 4.022 50 0 EIAARO CCn1nc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)n1 ZINC000249695582 564053167 /nfs/dbraw/zinc/05/31/67/564053167.db2.gz RDZXMRXCXUOKCI-UHFFFAOYSA-N 1 0 336.483 4.023 50 0 EIAARO C[N@H+]1CC=C(CNc2ccc(Br)c3ccccc23)CC1 ZINC000000974510 564053793 /nfs/dbraw/zinc/05/37/93/564053793.db2.gz CGHOBWQVLNOACE-UHFFFAOYSA-N 1 0 331.257 4.276 50 0 EIAARO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1F ZINC000012677174 564062596 /nfs/dbraw/zinc/06/25/96/564062596.db2.gz XASDZBQTQPURDC-LIRRHRJNSA-N 1 0 326.415 4.202 50 0 EIAARO Cc1ccc(C(=O)[C@@H](O)[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000001394789 564064647 /nfs/dbraw/zinc/06/46/47/564064647.db2.gz QIAUEJSGCORVTR-UNMCSNQZSA-N 1 0 337.463 4.074 50 0 EIAARO COc1ccc2[nH]cc(C3CC[NH+](CC4(O)CCCCC4)CC3)c2c1 ZINC000083970149 564065457 /nfs/dbraw/zinc/06/54/57/564065457.db2.gz RXZBNTRUKLAWIJ-UHFFFAOYSA-N 1 0 342.483 4.051 50 0 EIAARO Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000084225442 564067454 /nfs/dbraw/zinc/06/74/54/564067454.db2.gz AVTOQKCDIIRURG-WOJBJXKFSA-N 1 0 343.442 4.019 50 0 EIAARO O[C@H](COc1cccc2ccccc21)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000084525539 564068492 /nfs/dbraw/zinc/06/84/92/564068492.db2.gz OWLWGTWFFKUJNX-RTWAWAEBSA-N 1 0 347.458 4.069 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000084736162 564069914 /nfs/dbraw/zinc/06/99/14/564069914.db2.gz MWHDVVCKIVHBEU-IYOUNJFTSA-N 1 0 334.891 4.028 50 0 EIAARO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000012781161 564069970 /nfs/dbraw/zinc/06/99/70/564069970.db2.gz ZCUWFBKAIQGOHJ-HNNXBMFYSA-N 1 0 331.481 4.064 50 0 EIAARO O=C(Nc1cccc(Cl)c1)C1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000015861032 564076894 /nfs/dbraw/zinc/07/68/94/564076894.db2.gz YHUJTTQYMTZAJX-UHFFFAOYSA-N 1 0 344.817 4.250 50 0 EIAARO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000239672746 564088210 /nfs/dbraw/zinc/08/82/10/564088210.db2.gz BVAGBFMRUZCRAY-NOHGZBONSA-N 1 0 330.241 4.195 50 0 EIAARO CCc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000075572509 564089591 /nfs/dbraw/zinc/08/95/91/564089591.db2.gz REUNPEJSVZDKIZ-OAHLLOKOSA-N 1 0 332.488 4.299 50 0 EIAARO CCC[C@@H]([NH2+][C@@H](CCC)[C@H](O)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000006593653 564092548 /nfs/dbraw/zinc/09/25/48/564092548.db2.gz BCXARWAGLICOTL-ZDNVTZCJSA-N 1 0 341.495 4.381 50 0 EIAARO [NH3+][C@@H]1CC[C@H](NC(=O)c2cccc(-c3cc(Cl)ccc3Cl)c2)C1 ZINC000426443437 564093797 /nfs/dbraw/zinc/09/37/97/564093797.db2.gz SQIIYHBQXLSNSJ-CABCVRRESA-N 1 0 349.261 4.270 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000006638929 564094797 /nfs/dbraw/zinc/09/47/97/564094797.db2.gz YDTGXDPVOVASKX-SCLBCKFNSA-N 1 0 328.843 4.334 50 0 EIAARO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000006640035 564094893 /nfs/dbraw/zinc/09/48/93/564094893.db2.gz AVCFCIONZNYWDA-IBGZPJMESA-N 1 0 326.415 4.428 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1C ZINC000169679113 564098156 /nfs/dbraw/zinc/09/81/56/564098156.db2.gz VZFACIPARFSTJV-SJLPKXTDSA-N 1 0 333.497 4.097 50 0 EIAARO Cc1ccc(C)c(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000006877342 564100359 /nfs/dbraw/zinc/10/03/59/564100359.db2.gz YMWYAXDIPUGDCO-UHFFFAOYSA-N 1 0 343.515 4.423 50 0 EIAARO CC(C)c1noc(CNc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)n1 ZINC000065501792 564106619 /nfs/dbraw/zinc/10/66/19/564106619.db2.gz KDBVXYBDUYQOQV-AWEZNQCLSA-N 1 0 328.460 4.165 50 0 EIAARO Cc1ccc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000007447658 564108631 /nfs/dbraw/zinc/10/86/31/564108631.db2.gz RPHCYOGFIICTLL-UHFFFAOYSA-N 1 0 336.479 4.219 50 0 EIAARO c1coc(-c2n[nH]c(CC[NH2+][C@H]3CCCC[C@H]3C3=CCCCC3)n2)c1 ZINC000089672845 564113032 /nfs/dbraw/zinc/11/30/32/564113032.db2.gz LKEVLVPXNHSYAR-IRXDYDNUSA-N 1 0 340.471 4.256 50 0 EIAARO O=C(c1ccoc1)N1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000089826064 564114042 /nfs/dbraw/zinc/11/40/42/564114042.db2.gz LVQZAIKJMBVWFI-HXUWFJFHSA-N 1 0 338.451 4.015 50 0 EIAARO Fc1cc2cccnc2c(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)c1 ZINC000089827825 564114093 /nfs/dbraw/zinc/11/40/93/564114093.db2.gz AOIWXGOTERAUCY-DYESRHJHSA-N 1 0 336.410 4.241 50 0 EIAARO c1ccc2c(c1)OC1(CCC1)C[C@@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000089857758 564114270 /nfs/dbraw/zinc/11/42/70/564114270.db2.gz TWSIGSXDTBWPRQ-IBGZPJMESA-N 1 0 349.478 4.218 50 0 EIAARO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000076082227 564115426 /nfs/dbraw/zinc/11/54/26/564115426.db2.gz GTKSAFUNXMBERJ-SUMWQHHRSA-N 1 0 334.257 4.142 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOCCOc2c(Cl)cccc2Cl)C1 ZINC000002822563 564116954 /nfs/dbraw/zinc/11/69/54/564116954.db2.gz QJSHTIFNZQUCQL-OKILXGFUSA-N 1 0 346.298 4.367 50 0 EIAARO Cc1cc(OCCOCC[N@@H+](C)Cc2ccccc2)ccc1Cl ZINC000002822705 564116989 /nfs/dbraw/zinc/11/69/89/564116989.db2.gz WTRIWYYZBXVMBH-UHFFFAOYSA-N 1 0 333.859 4.176 50 0 EIAARO CCOC(=O)C1CC[NH+](CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000006703157 564117437 /nfs/dbraw/zinc/11/74/37/564117437.db2.gz MFLKJEKZZPDPTF-UHFFFAOYSA-N 1 0 347.499 4.028 50 0 EIAARO Cc1[nH+]c2cc(NCc3ccncc3)ccc2n1Cc1ccccc1 ZINC000252510349 564119998 /nfs/dbraw/zinc/11/99/98/564119998.db2.gz ZHXZYUAOHOSPHF-UHFFFAOYSA-N 1 0 328.419 4.400 50 0 EIAARO CC(C)CC[C@@H](CC[NH2+]C[C@@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000002332750 564132357 /nfs/dbraw/zinc/13/23/57/564132357.db2.gz YESDLGNBFIQNOS-WMZOPIPTSA-N 1 0 333.472 4.094 50 0 EIAARO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccccc2)cc1 ZINC000012995970 564135797 /nfs/dbraw/zinc/13/57/97/564135797.db2.gz CNUZOMJKZZDSHE-NHCUHLMSSA-N 1 0 325.452 4.346 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccsc1 ZINC000013011182 564135899 /nfs/dbraw/zinc/13/58/99/564135899.db2.gz ZITFMXDGJYBRNE-CQSZACIVSA-N 1 0 343.279 4.088 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000013305011 564136177 /nfs/dbraw/zinc/13/61/77/564136177.db2.gz LECIWVMMBWBHEY-OWFIIGRXSA-N 1 0 349.559 4.233 50 0 EIAARO COc1ccccc1Oc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000095422263 564140037 /nfs/dbraw/zinc/14/00/37/564140037.db2.gz BNCZZQPBKWYWQX-OAHLLOKOSA-N 1 0 337.423 4.072 50 0 EIAARO Cc1ccc([C@H](C)[NH2+]Cc2cccc(COC3CCOCC3)c2)o1 ZINC000095422336 564140077 /nfs/dbraw/zinc/14/00/77/564140077.db2.gz RVMNPMKBWFTPFP-INIZCTEOSA-N 1 0 329.440 4.134 50 0 EIAARO C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc2ccccc2c(=O)[nH]1 ZINC000095945707 564142197 /nfs/dbraw/zinc/14/21/97/564142197.db2.gz NAMOHXUVCAGGKP-MRXNPFEDSA-N 1 0 332.447 4.329 50 0 EIAARO CC(C)(C)c1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000095946247 564142230 /nfs/dbraw/zinc/14/22/30/564142230.db2.gz LGWYZZVJWZCNPJ-QGZVFWFLSA-N 1 0 343.515 4.324 50 0 EIAARO CC[NH2+]CCO[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000096027132 564145031 /nfs/dbraw/zinc/14/50/31/564145031.db2.gz RRGIMYFMDSQBKH-KRWDZBQOSA-N 1 0 334.257 4.165 50 0 EIAARO C[C@H](C[NH+]1CCCCC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000096028127 564145044 /nfs/dbraw/zinc/14/50/44/564145044.db2.gz YJNFZIRUSJRKOH-WIYYLYMNSA-N 1 0 336.479 4.280 50 0 EIAARO CC(C)[NH+](CCOC(=O)[C@@H](c1cccs1)[C@H]1C=CCC1)C(C)C ZINC000096028070 564145063 /nfs/dbraw/zinc/14/50/63/564145063.db2.gz WQQMRGJZJZVYOZ-FUHWJXTLSA-N 1 0 335.513 4.460 50 0 EIAARO Cc1c(C[C@H](O)C[NH2+]C(C)C)nc2ccccc2c1-c1ccccc1 ZINC000096027642 564145080 /nfs/dbraw/zinc/14/50/80/564145080.db2.gz LKWFDWARCBJHLY-SFHVURJKSA-N 1 0 334.463 4.112 50 0 EIAARO c1coc([C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)c2ccccc2)c1 ZINC000096476434 564148417 /nfs/dbraw/zinc/14/84/17/564148417.db2.gz NCENMCFMBYUOAS-QFIPXVFZSA-N 1 0 347.462 4.018 50 0 EIAARO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000096478019 564148522 /nfs/dbraw/zinc/14/85/22/564148522.db2.gz CQMSTLFMGHXWRX-KKSFZXQISA-N 1 0 337.467 4.256 50 0 EIAARO CSc1ccc(-c2noc(CN3CCc4ccccc4C3)n2)cc1 ZINC000057427607 564154234 /nfs/dbraw/zinc/15/42/34/564154234.db2.gz RJIDWIOCWYDYDA-UHFFFAOYSA-N 1 0 337.448 4.017 50 0 EIAARO C[NH+](C)C[C@H](NC(=O)/C=C/c1cccc2ccccc12)c1ccccc1 ZINC000029954238 564154947 /nfs/dbraw/zinc/15/49/47/564154947.db2.gz GLSARPJENNLTOL-BQXQKYNTSA-N 1 0 344.458 4.272 50 0 EIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000057562962 564154965 /nfs/dbraw/zinc/15/49/65/564154965.db2.gz GHJAWHRYKCONAR-SFHVURJKSA-N 1 0 334.822 4.405 50 0 EIAARO C[N@@H+]1CCCC[C@H]1CCSc1ncnc2sc3c(c21)CCC3 ZINC000057744745 564155606 /nfs/dbraw/zinc/15/56/06/564155606.db2.gz DARHBHGSQTUARE-LBPRGKRZSA-N 1 0 333.526 4.147 50 0 EIAARO O=C(NCCCC[NH+]1CCCCCC1)c1ccc(-c2ccco2)cc1 ZINC000670440535 564157803 /nfs/dbraw/zinc/15/78/03/564157803.db2.gz OXTONZVVMIXLKS-UHFFFAOYSA-N 1 0 340.467 4.333 50 0 EIAARO COc1ccc(OCC[N@@H+]2CCC3=C(CCc4ccccc43)C2)cc1 ZINC000004090705 564160490 /nfs/dbraw/zinc/16/04/90/564160490.db2.gz POPJAFISZZWJIF-UHFFFAOYSA-N 1 0 335.447 4.180 50 0 EIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(F)cc1 ZINC000008003636 564162060 /nfs/dbraw/zinc/16/20/60/564162060.db2.gz KTEOBTMBQKEDNW-SFHVURJKSA-N 1 0 336.357 4.029 50 0 EIAARO O[C@H](C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccccc1 ZINC000008118218 564162762 /nfs/dbraw/zinc/16/27/62/564162762.db2.gz DGWSKKLWQXQCDE-GOSISDBHSA-N 1 0 338.476 4.209 50 0 EIAARO Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000008184958 564163414 /nfs/dbraw/zinc/16/34/14/564163414.db2.gz SXDKLWCNDGLUQF-INIZCTEOSA-N 1 0 329.469 4.015 50 0 EIAARO CCCOc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717135 564166756 /nfs/dbraw/zinc/16/67/56/564166756.db2.gz AKWZBVNLBKOERT-AWEZNQCLSA-N 1 0 328.456 4.270 50 0 EIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccc(C)c1 ZINC000069460707 564169698 /nfs/dbraw/zinc/16/96/98/564169698.db2.gz MZPWVJJAXPBTKB-QUCCMNQESA-N 1 0 335.451 4.143 50 0 EIAARO Brc1cccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)c1 ZINC000009468636 564173823 /nfs/dbraw/zinc/17/38/23/564173823.db2.gz NASQVECWRLTADA-UHFFFAOYSA-N 1 0 343.224 4.394 50 0 EIAARO O=C(NCC[NH+]1CCC(c2cccs2)CC1)c1ccc(Cl)cc1 ZINC000077103945 564176577 /nfs/dbraw/zinc/17/65/77/564176577.db2.gz LBVYGYQKTUZQLT-UHFFFAOYSA-N 1 0 348.899 4.011 50 0 EIAARO NC(=O)c1cccc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCCC2)c1 ZINC000105493910 564177269 /nfs/dbraw/zinc/17/72/69/564177269.db2.gz DCBONZGZJZDUHA-LJQANCHMSA-N 1 0 342.870 4.460 50 0 EIAARO CC(C)[N@H+](Cc1cnc(C2OCCO2)s1)[C@@H](C)c1ccccc1 ZINC000292882771 1022592804 /nfs/dbraw/zinc/59/28/04/1022592804.db2.gz XZZDXUFDCYHYRA-AWEZNQCLSA-N 1 0 332.469 4.160 50 0 EIAARO c1ccc(CCN2CCC([NH2+]C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004022115 1022741743 /nfs/dbraw/zinc/74/17/43/1022741743.db2.gz GRPIFHSQCDTSNH-UHFFFAOYSA-N 1 0 338.539 4.252 50 0 EIAARO Cc1nc([C@H]2CC23CC[NH+](Cc2ccc(C(C)C)cc2)CC3)no1 ZINC000257196527 1022786212 /nfs/dbraw/zinc/78/62/12/1022786212.db2.gz YJHGVSMLZGKCKH-GOSISDBHSA-N 1 0 325.456 4.271 50 0 EIAARO Fc1ccc(C[NH+]2CCC(CCc3noc(C4CC4)n3)CC2)cc1F ZINC000675018960 1023326016 /nfs/dbraw/zinc/32/60/16/1023326016.db2.gz HGTCOFXEGZXBPU-UHFFFAOYSA-N 1 0 347.409 4.070 50 0 EIAARO C[N@H+](CCC1CCOCC1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000120577153 1028536379 /nfs/dbraw/zinc/53/63/79/1028536379.db2.gz NNGAKUZBDPGZOO-UHFFFAOYSA-N 1 0 349.478 4.250 50 0 EIAARO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000023280412 1031336113 /nfs/dbraw/zinc/33/61/13/1031336113.db2.gz SPKCQGPCGKAPNJ-UHFFFAOYSA-N 1 0 336.262 4.477 50 0 EIAARO CCC(C)(C)C(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257190894 1036409994 /nfs/dbraw/zinc/40/99/94/1036409994.db2.gz ODHHUBLBQVSNKW-LJQANCHMSA-N 1 0 342.527 4.497 50 0 EIAARO CCC(CC)C(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257193399 1036599994 /nfs/dbraw/zinc/59/99/94/1036599994.db2.gz YMFSZKOYEFVKHX-HXUWFJFHSA-N 1 0 342.527 4.497 50 0 EIAARO Clc1ccc2c(c1)C=C(C[NH2+][C@@H](c1nccs1)C1CC1)CO2 ZINC000174549939 1038998354 /nfs/dbraw/zinc/99/83/54/1038998354.db2.gz VHFQIKJMEDDCNH-MRXNPFEDSA-N 1 0 332.856 4.313 50 0 EIAARO C[C@H](CCCC(C)(C)O)CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000032565319 1041577887 /nfs/dbraw/zinc/57/78/87/1041577887.db2.gz WOVBJFPQHKPGPA-GOSISDBHSA-N 1 0 332.532 4.212 50 0 EIAARO CSCCC[NH+]1CCC(c2n[nH]cc2-c2ccccc2C)CC1 ZINC000824896113 1044566826 /nfs/dbraw/zinc/56/68/26/1044566826.db2.gz TWSUSNWVUXRTDO-UHFFFAOYSA-N 1 0 329.513 4.318 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)C1(c2ccccc2F)CC1 ZINC000827660633 1044880950 /nfs/dbraw/zinc/88/09/50/1044880950.db2.gz QLITUOQQSCQUQL-UHFFFAOYSA-N 1 0 338.426 4.092 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(-c2ccccc2)no1 ZINC000828231232 1044961401 /nfs/dbraw/zinc/96/14/01/1044961401.db2.gz LIDDVMOESRSXGY-UHFFFAOYSA-N 1 0 347.418 4.190 50 0 EIAARO C[C@H]([NH2+]CC1(c2ccccc2)CCCC1)[C@H]1COc2ccccc2O1 ZINC000012383358 1045134495 /nfs/dbraw/zinc/13/44/95/1045134495.db2.gz OHTRLVBZKDEHOY-LAUBAEHRSA-N 1 0 337.463 4.317 50 0 EIAARO Cc1cnc(C[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575317339 1045211946 /nfs/dbraw/zinc/21/19/46/1045211946.db2.gz GFGZHANKAKHDMI-SFHVURJKSA-N 1 0 329.463 4.366 50 0 EIAARO Cc1ccccc1Nc1nc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cs1 ZINC000585081325 1049390225 /nfs/dbraw/zinc/39/02/25/1049390225.db2.gz DMHOKPDXXHOLFF-LJQANCHMSA-N 1 0 343.496 4.198 50 0 EIAARO CCc1ccc(-c2noc(C[N@@H+](CC)[C@H]3CCOC(C)(C)C3)n2)cc1 ZINC000585084873 1049447448 /nfs/dbraw/zinc/44/74/48/1049447448.db2.gz RBDLDYBYVFMYKB-KRWDZBQOSA-N 1 0 343.471 4.079 50 0 EIAARO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000179429883 1049569200 /nfs/dbraw/zinc/56/92/00/1049569200.db2.gz XIZFMGDWLKYTLY-HNNXBMFYSA-N 1 0 336.888 4.199 50 0 EIAARO C[C@@H](CCSc1ccc(F)cc1)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000952980375 1049686006 /nfs/dbraw/zinc/68/60/06/1049686006.db2.gz XASCQGDBBFQBAH-LBPRGKRZSA-N 1 0 345.443 4.068 50 0 EIAARO CCC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C[C@@H]1CCCCO1 ZINC000183611507 1051184328 /nfs/dbraw/zinc/18/43/28/1051184328.db2.gz XWKAMMOLKBVQBZ-LBPRGKRZSA-N 1 0 336.423 4.251 50 0 EIAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)CCc2ccccc2)CC1 ZINC000581787877 1059990817 /nfs/dbraw/zinc/99/08/17/1059990817.db2.gz GJYJHBCUVHBPBU-NRFANRHFSA-N 1 0 342.527 4.122 50 0 EIAARO CC(C)[N@@H+]1CC2(CCN(C(=O)C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000581802722 1060006254 /nfs/dbraw/zinc/00/62/54/1060006254.db2.gz OQGUQSMPSGDMFN-FQEVSTJZSA-N 1 0 340.511 4.251 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581805520 1060014396 /nfs/dbraw/zinc/01/43/96/1060014396.db2.gz BKNJRCXCGPQJOR-GOSISDBHSA-N 1 0 329.488 4.203 50 0 EIAARO Cc1cnc(-c2ccncc2)n1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581807675 1060017272 /nfs/dbraw/zinc/01/72/72/1060017272.db2.gz PZJKEBKOCPEBSG-HXUWFJFHSA-N 1 0 332.451 4.091 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581807528 1060019599 /nfs/dbraw/zinc/01/95/99/1060019599.db2.gz NYWGQARRCANQGX-GOSISDBHSA-N 1 0 343.515 4.278 50 0 EIAARO C(=C/c1ccccc1)\C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000055074449 214268704 /nfs/dbraw/zinc/26/87/04/214268704.db2.gz HKKYHSXWRGXASK-RMKNXTFCSA-N 1 0 336.483 4.286 50 0 EIAARO c1cc2cccc(C[N@@H+](Cc3ccsc3)C[C@H]3CCCO3)c2[nH]1 ZINC000055153299 214280360 /nfs/dbraw/zinc/28/03/60/214280360.db2.gz NPTDEIAIILWLEJ-GOSISDBHSA-N 1 0 326.465 4.411 50 0 EIAARO COc1ccccc1C[N@H+](Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000055211752 214289356 /nfs/dbraw/zinc/28/93/56/214289356.db2.gz RKFNGEGCQKQTQY-UHFFFAOYSA-N 1 0 333.435 4.046 50 0 EIAARO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000055245014 214295537 /nfs/dbraw/zinc/29/55/37/214295537.db2.gz GDXYWPDMZSRMDA-KRWDZBQOSA-N 1 0 348.450 4.465 50 0 EIAARO COc1ccccc1CNc1[nH+]cc(-c2ccc(Cl)cc2)n1C ZINC000004678549 210244406 /nfs/dbraw/zinc/24/44/06/210244406.db2.gz VHLAHUGLXMKDLY-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO Cn1c(-c2ccccc2)c[nH+]c1NCc1ccc(Br)cc1 ZINC000004678593 210243815 /nfs/dbraw/zinc/24/38/15/210243815.db2.gz TUVSNKXBKXZVOD-UHFFFAOYSA-N 1 0 342.240 4.462 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000004667011 210241741 /nfs/dbraw/zinc/24/17/41/210241741.db2.gz MMIRJOKAHDIIIE-UEXGIBASSA-N 1 0 339.479 4.071 50 0 EIAARO Fc1ccc(COc2ccc(Cl)cc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000004657495 210240062 /nfs/dbraw/zinc/24/00/62/210240062.db2.gz GOLFSHFSRMRWQD-SFHVURJKSA-N 1 0 349.833 4.327 50 0 EIAARO Cc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)s1 ZINC000004555329 210220172 /nfs/dbraw/zinc/22/01/72/210220172.db2.gz OUCDBOWNMSMXBO-HNNXBMFYSA-N 1 0 347.509 4.313 50 0 EIAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccccc1C ZINC000004413624 210188568 /nfs/dbraw/zinc/18/85/68/210188568.db2.gz ZDNBPHHKKGDBRK-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO CC(=O)Nc1sc2c(c1C[N@@H+]1CCc3ccccc3C1)CCCC2 ZINC000004276319 210158781 /nfs/dbraw/zinc/15/87/81/210158781.db2.gz FKHLODKGZZZOGP-UHFFFAOYSA-N 1 0 340.492 4.144 50 0 EIAARO C[N@H+](C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000004263719 210156080 /nfs/dbraw/zinc/15/60/80/210156080.db2.gz SOWLIVQHBWMDLN-OTNIWXAGSA-N 1 0 349.559 4.235 50 0 EIAARO Cc1cccc(C[C@@H](C)CC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000004027954 210103293 /nfs/dbraw/zinc/10/32/93/210103293.db2.gz AQCXSWOGSGUXKS-HLAWJBBLSA-N 1 0 343.511 4.371 50 0 biogenic EIAARO CC[N@H+](Cc1cc(Cl)cc(OC)c1OC)[C@H]1CCOC(C)(C)C1 ZINC000102537572 219209036 /nfs/dbraw/zinc/20/90/36/219209036.db2.gz IBAICDOMYCLAAG-HNNXBMFYSA-N 1 0 341.879 4.137 50 0 EIAARO Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccnc2N)ccc1F ZINC000102739756 219226006 /nfs/dbraw/zinc/22/60/06/219226006.db2.gz SLBJGNYYIWGVBI-BCDXTJNWSA-N 1 0 325.431 4.022 50 0 EIAARO CC[C@@H](O)C[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067691146 215186256 /nfs/dbraw/zinc/18/62/56/215186256.db2.gz BXGINNRSQKCSJM-LJQANCHMSA-N 1 0 348.446 4.138 50 0 EIAARO CCOc1cccc(Oc2ccc(C[NH+]3CCCC3)cc2OC)c1 ZINC000067725806 215195689 /nfs/dbraw/zinc/19/56/89/215195689.db2.gz AGOIZVNKJGCWON-UHFFFAOYSA-N 1 0 327.424 4.482 50 0 EIAARO COc1ccccc1Oc1ncccc1C[NH2+][C@H](C)CC(F)(F)F ZINC000067818379 215220449 /nfs/dbraw/zinc/22/04/49/215220449.db2.gz HOTPYSOOEFFSNY-GFCCVEGCSA-N 1 0 340.345 4.313 50 0 EIAARO CCC/C=C/C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(C)oc1C)C2 ZINC000067842828 215227176 /nfs/dbraw/zinc/22/71/76/215227176.db2.gz YFBBBJSXIZMISH-BXKJMJEDSA-N 1 0 344.499 4.181 50 0 EIAARO Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](OCc4cccnc4)C3)c2c1 ZINC000067872374 215237764 /nfs/dbraw/zinc/23/77/64/215237764.db2.gz GHFOZWRUZCLWFQ-LJQANCHMSA-N 1 0 335.451 4.053 50 0 EIAARO C[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2ccc3c(c2)CCC3=O)c1 ZINC000067886138 215242796 /nfs/dbraw/zinc/24/27/96/215242796.db2.gz OTMCXIZKYVTFKY-HNNXBMFYSA-N 1 0 348.446 4.052 50 0 EIAARO Cc1nnc(-c2cccc(-c3ccc([C@H](C)[NH+]4CCOCC4)cc3)c2)o1 ZINC000067935240 215254608 /nfs/dbraw/zinc/25/46/08/215254608.db2.gz QSHBNPCHGPYYNS-HNNXBMFYSA-N 1 0 349.434 4.105 50 0 EIAARO CCC/C=C/C[N@@H+]1CCC[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000067983369 215267926 /nfs/dbraw/zinc/26/79/26/215267926.db2.gz LKFHWTGYFOMEGV-VPVJOJIASA-N 1 0 332.532 4.238 50 0 EIAARO CC[NH+](CC)CCCOC(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000001726845 209788659 /nfs/dbraw/zinc/78/86/59/209788659.db2.gz QRGYPNLNCBAANQ-UHFFFAOYSA-N 1 0 338.879 4.173 50 0 EIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2Cl)cc1 ZINC000040105793 213265604 /nfs/dbraw/zinc/26/56/04/213265604.db2.gz ZTTLUDKOIBEDKQ-OALUTQOASA-N 1 0 331.843 4.219 50 0 EIAARO CC(C)C[C@@H](CNC(=O)c1occc1-c1ccccc1)[NH+]1CCCC1 ZINC000040092488 213262990 /nfs/dbraw/zinc/26/29/90/213262990.db2.gz UIKQYTVULNMBIU-SFHVURJKSA-N 1 0 340.467 4.187 50 0 EIAARO COc1ccc2ccccc2c1C[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000040040712 213253668 /nfs/dbraw/zinc/25/36/68/213253668.db2.gz VUYSZFQJQAZQPC-UHFFFAOYSA-N 1 0 334.419 4.097 50 0 EIAARO CCc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039769784 213242517 /nfs/dbraw/zinc/24/25/17/213242517.db2.gz UAPMFWFLFBRFLV-YADHBBJMSA-N 1 0 326.528 4.478 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1C ZINC000036096896 213063289 /nfs/dbraw/zinc/06/32/89/213063289.db2.gz BTGWXGZFTMGJDO-QUCCMNQESA-N 1 0 327.468 4.035 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1 ZINC000036031639 213056926 /nfs/dbraw/zinc/05/69/26/213056926.db2.gz XHPGQVSCFQFLCZ-QUCCMNQESA-N 1 0 327.468 4.035 50 0 EIAARO Cc1ccccc1OC[C@H](O)C[N@@H+](CCC(C)C)Cc1ccsc1 ZINC000036031180 213056129 /nfs/dbraw/zinc/05/61/29/213056129.db2.gz WTBGGGUVQXUJQP-LJQANCHMSA-N 1 0 347.524 4.345 50 0 EIAARO Cc1cccc(-n2nnnc2C2([NH2+]C3CCCCC3)CCCCC2)c1 ZINC000035622143 213042376 /nfs/dbraw/zinc/04/23/76/213042376.db2.gz WBTPLRGUGRVCNJ-UHFFFAOYSA-N 1 0 339.487 4.052 50 0 EIAARO CCc1ccc(C[NH2+]C[C@H](c2cccc(OC)c2)N2CCCC2)cc1 ZINC000071798762 215835128 /nfs/dbraw/zinc/83/51/28/215835128.db2.gz QCSQSLXFZOLVSA-JOCHJYFZSA-N 1 0 338.495 4.184 50 0 EIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000032908704 212868672 /nfs/dbraw/zinc/86/86/72/212868672.db2.gz WWVPITBZNGBYGQ-FQEVSTJZSA-N 1 0 348.490 4.388 50 0 EIAARO Fc1ccc(CN2CCC[N@H+](Cc3cccs3)CC2)c(Cl)c1 ZINC000072143763 216029176 /nfs/dbraw/zinc/02/91/76/216029176.db2.gz RPTBTLXNDSQZBD-UHFFFAOYSA-N 1 0 338.879 4.249 50 0 EIAARO COc1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000000199322 209479458 /nfs/dbraw/zinc/47/94/58/209479458.db2.gz HRNYTAQDFVUAKK-UHFFFAOYSA-N 1 0 325.452 4.159 50 0 EIAARO C[NH+](C)[C@H](CNc1ncnc2c3ccccc3oc21)c1ccccc1 ZINC000023709134 212391678 /nfs/dbraw/zinc/39/16/78/212391678.db2.gz VLNWQBRWOBFNBM-MRXNPFEDSA-N 1 0 332.407 4.091 50 0 EIAARO CCCCCCOc1ccc(C[NH+]2CCC(C(=O)OCC)CC2)cc1 ZINC000023281525 212366464 /nfs/dbraw/zinc/36/64/64/212366464.db2.gz DRJCDBDHGYWMCP-UHFFFAOYSA-N 1 0 347.499 4.421 50 0 EIAARO O=C(Nc1ccc2scnc2c1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000023368441 212370965 /nfs/dbraw/zinc/37/09/65/212370965.db2.gz JUHKAQSZEGWJFB-LLVKDONJSA-N 1 0 329.450 4.035 50 0 EIAARO c1cn(CC[NH+]2CCCCC2)nc1-c1cccc(-c2cccnc2)c1 ZINC000023232324 212362559 /nfs/dbraw/zinc/36/25/59/212362559.db2.gz QNRUDASAUVMEHY-UHFFFAOYSA-N 1 0 332.451 4.098 50 0 EIAARO O=C(CC[N@H+](Cc1ccco1)C1CC1)Nc1ccc(Cl)cc1F ZINC000023186318 212358393 /nfs/dbraw/zinc/35/83/93/212358393.db2.gz OERBKOSJEZOAIC-UHFFFAOYSA-N 1 0 336.794 4.065 50 0 EIAARO Clc1ccc(C[NH2+]Cc2ccc(-n3ccnc3)cc2)c(Cl)c1 ZINC000022772014 212323469 /nfs/dbraw/zinc/32/34/69/212323469.db2.gz HOBLZEIUWLCYLJ-UHFFFAOYSA-N 1 0 332.234 4.469 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1cccs1 ZINC000022687710 212317538 /nfs/dbraw/zinc/31/75/38/212317538.db2.gz DAVKHHDGGUJCDD-LBPRGKRZSA-N 1 0 343.279 4.088 50 0 EIAARO Cc1ccc(-c2cccc(C[NH+]3CCC(c4nccn4C)CC3)c2)o1 ZINC000214997663 241100210 /nfs/dbraw/zinc/10/02/10/241100210.db2.gz LBXDHEHRQWSKTI-UHFFFAOYSA-N 1 0 335.451 4.368 50 0 EIAARO C[N@@H+]1CCC[C@@]2(CCCN(Cc3[nH]c4ccccc4c3Cl)C2)C1 ZINC000215329466 241121301 /nfs/dbraw/zinc/12/13/01/241121301.db2.gz ZRHUYBHJKJAQAK-LJQANCHMSA-N 1 0 331.891 4.129 50 0 EIAARO c1csc([C@@H]2CCCN2Cc2cnc(C3CCCCC3)nc2)n1 ZINC000215911577 241153002 /nfs/dbraw/zinc/15/30/02/241153002.db2.gz IDGWDROABMZPEE-INIZCTEOSA-N 1 0 328.485 4.318 50 0 EIAARO CCOc1cc([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)ccc1O ZINC000021658078 212237298 /nfs/dbraw/zinc/23/72/98/212237298.db2.gz QOGYIGMISCWRSF-SFHVURJKSA-N 1 0 342.826 4.161 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC(C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000021718174 212242864 /nfs/dbraw/zinc/24/28/64/212242864.db2.gz AUIIVFQZYLSSHN-IRXDYDNUSA-N 1 0 343.515 4.217 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CC2CCN(C(=O)Nc3cccc(F)c3)CC2)C1 ZINC000021718319 212243000 /nfs/dbraw/zinc/24/30/00/212243000.db2.gz WSWXLWGOPYIMPK-HZPDHXFCSA-N 1 0 347.478 4.048 50 0 EIAARO Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc1 ZINC000021170726 212214109 /nfs/dbraw/zinc/21/41/09/212214109.db2.gz VSKHTSNEOFXCKY-FQEVSTJZSA-N 1 0 328.500 4.256 50 0 EIAARO CSc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)cc1 ZINC000020994906 212196644 /nfs/dbraw/zinc/19/66/44/212196644.db2.gz XQOHQBPNPHAOTQ-SFHVURJKSA-N 1 0 344.499 4.302 50 0 EIAARO CC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868929 212180821 /nfs/dbraw/zinc/18/08/21/212180821.db2.gz NOMXEOYYSQBBDO-SFTDATJTSA-N 1 0 327.443 4.303 50 0 EIAARO CN(C(=O)c1ccc(C[NH+]2CCCCCC2)cc1)C1CCSCC1 ZINC000252483619 243778035 /nfs/dbraw/zinc/77/80/35/243778035.db2.gz FGAZUDADPZGALX-UHFFFAOYSA-N 1 0 346.540 4.030 50 0 EIAARO OC(C[NH2+]Cc1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000020219100 212113934 /nfs/dbraw/zinc/11/39/34/212113934.db2.gz DFZXKIIRJNEGDX-UHFFFAOYSA-N 1 0 337.850 4.366 50 0 EIAARO CCCNc1nc(NC2CCCCC2)nc(NC2CCCCC2)[nH+]1 ZINC000019897977 212080672 /nfs/dbraw/zinc/08/06/72/212080672.db2.gz COVAOUDLLZAJLU-UHFFFAOYSA-N 1 0 332.496 4.183 50 0 EIAARO C[N@@H+]1CCC[C@@H](Cn2ccc(-c3cccc(-c4nccs4)c3)n2)C1 ZINC000019799359 212070233 /nfs/dbraw/zinc/07/02/33/212070233.db2.gz ADLFYRFPLWANLJ-OAHLLOKOSA-N 1 0 338.480 4.015 50 0 EIAARO CCC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)o1)c1ccccc1 ZINC000019789570 212066994 /nfs/dbraw/zinc/06/69/94/212066994.db2.gz ZVJBALIZZIYNMS-SFHVURJKSA-N 1 0 326.440 4.147 50 0 EIAARO O[C@@H](C[NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000019691194 212056086 /nfs/dbraw/zinc/05/60/86/212056086.db2.gz MMUSLFVNAYCBTD-QFIPXVFZSA-N 1 0 333.431 4.089 50 0 EIAARO COc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019360135 212021765 /nfs/dbraw/zinc/02/17/65/212021765.db2.gz FXNDXWYKIGRCAL-UHFFFAOYSA-N 1 0 346.474 4.166 50 0 EIAARO Cc1nc(CC[NH+]2CCC(Oc3ccccc3Cl)CC2)cs1 ZINC000019228339 212006881 /nfs/dbraw/zinc/00/68/81/212006881.db2.gz WPDVREDEOPZEMT-UHFFFAOYSA-N 1 0 336.888 4.191 50 0 EIAARO CC[NH+](CC)[C@H](CNc1ncccc1C(F)(F)F)c1ccco1 ZINC000078612970 217087849 /nfs/dbraw/zinc/08/78/49/217087849.db2.gz IRGOUBPDCGUZQM-CYBMUJFWSA-N 1 0 327.350 4.188 50 0 EIAARO Cc1ccc(NC(=O)C2CC[NH+](CCC3CCCCC3)CC2)nc1 ZINC000078949935 217155929 /nfs/dbraw/zinc/15/59/29/217155929.db2.gz DAFGSNNHNDXZSV-UHFFFAOYSA-N 1 0 329.488 4.011 50 0 EIAARO CSC[C@@H](C)[NH+]1CCC(c2n[nH]cc2-c2ccccc2C)CC1 ZINC000011790000 211247609 /nfs/dbraw/zinc/24/76/09/211247609.db2.gz DKGIOCKCPIYTJM-OAHLLOKOSA-N 1 0 329.513 4.316 50 0 EIAARO Cc1c2ccccc2oc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015425559 211823834 /nfs/dbraw/zinc/82/38/34/211823834.db2.gz GIAJWUQRSVNGMP-UHFFFAOYSA-N 1 0 348.446 4.136 50 0 EIAARO c1[nH]c2ccccc2c1CC[NH2+]Cc1cccc(Oc2ncccn2)c1 ZINC000013722594 211619900 /nfs/dbraw/zinc/61/99/00/211619900.db2.gz GJFJVCYOFLSAJN-UHFFFAOYSA-N 1 0 344.418 4.083 50 0 EIAARO C[S@](=O)c1ccc(CNc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000089493225 217805317 /nfs/dbraw/zinc/80/53/17/217805317.db2.gz WCGJYJRSNMDVDX-XMMPIXPASA-N 1 0 342.508 4.022 50 0 EIAARO CSc1cccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000012429707 211378847 /nfs/dbraw/zinc/37/88/47/211378847.db2.gz YYURZIRBLUTIHO-OAQYLSRUSA-N 1 0 341.520 4.226 50 0 EIAARO CC(C)(C)n1c[n+](-c2cccc(F)c2)c(-c2ccccc2Cl)n1 ZINC000012510073 211395201 /nfs/dbraw/zinc/39/52/01/211395201.db2.gz KHDKKYIZCVFOPV-UHFFFAOYSA-N 1 0 330.814 4.374 50 0 EIAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012448655 211386688 /nfs/dbraw/zinc/38/66/88/211386688.db2.gz GQXJEJKGYWJGMI-HNNXBMFYSA-N 1 0 328.843 4.138 50 0 EIAARO O[C@H](Cn1c2c(c3cccc(Cl)c31)CCCC2)C[NH+]1CCCCC1 ZINC000012421956 211376496 /nfs/dbraw/zinc/37/64/96/211376496.db2.gz ACMRDSJKTZGCFH-HNNXBMFYSA-N 1 0 346.902 4.020 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000012382526 211363165 /nfs/dbraw/zinc/36/31/65/211363165.db2.gz QHZGYTUVZIPQKU-UHFFFAOYSA-N 1 0 336.888 4.157 50 0 EIAARO Cc1cccc(C)c1Oc1ncccc1C[NH2+]C1CCSCC1 ZINC000012308096 211340971 /nfs/dbraw/zinc/34/09/71/211340971.db2.gz KHYKGOFMHPXWMW-UHFFFAOYSA-N 1 0 328.481 4.476 50 0 EIAARO COc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000012298815 211336235 /nfs/dbraw/zinc/33/62/35/211336235.db2.gz NIPJMQINDGIIRF-QGZVFWFLSA-N 1 0 345.487 4.004 50 0 EIAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2COC)c(C)o1 ZINC000011815048 211250944 /nfs/dbraw/zinc/25/09/44/211250944.db2.gz KANNDGAOGXSFSP-INIZCTEOSA-N 1 0 344.455 4.050 50 0 EIAARO COCCCC1CC[NH+](Cc2c[nH]nc2-c2ccc(C)c(C)c2)CC1 ZINC000011819041 211252687 /nfs/dbraw/zinc/25/26/87/211252687.db2.gz WNNOQSNXEBEFEV-UHFFFAOYSA-N 1 0 341.499 4.332 50 0 EIAARO Cc1c2cc(C)ccc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000011661132 211230239 /nfs/dbraw/zinc/23/02/39/211230239.db2.gz AVLWTYKDVFGSKI-UHFFFAOYSA-N 1 0 328.456 4.044 50 0 EIAARO CSc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010331902 211166059 /nfs/dbraw/zinc/16/60/59/211166059.db2.gz DSNVYQHLNSDQMC-UHFFFAOYSA-N 1 0 326.465 4.257 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)[NH+](C)C)cc1 ZINC000010328910 211164121 /nfs/dbraw/zinc/16/41/21/211164121.db2.gz KFZLFVZLDIFILM-OAQYLSRUSA-N 1 0 332.447 4.181 50 0 EIAARO CCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2CC ZINC000009942055 211134403 /nfs/dbraw/zinc/13/44/03/211134403.db2.gz CJDBDFIWVANBBW-UHFFFAOYSA-N 1 0 342.487 4.171 50 0 EIAARO CCC(CC)C[N@@H+]1CCC[C@H](c2nccn2Cc2cscn2)C1 ZINC000095355023 218289417 /nfs/dbraw/zinc/28/94/17/218289417.db2.gz SWNPVJSGHHGCAU-INIZCTEOSA-N 1 0 332.517 4.004 50 0 EIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000008863070 211012038 /nfs/dbraw/zinc/01/20/38/211012038.db2.gz ATAMWTRNRKPYTB-GOSISDBHSA-N 1 0 346.471 4.234 50 0 EIAARO C[S@@](=O)c1ccc(C[NH2+][C@@H](c2cc3ccccc3o2)C2CC2)cc1 ZINC000095409643 218346741 /nfs/dbraw/zinc/34/67/41/218346741.db2.gz VSGRGLCDHKQWKL-YKSBVNFPSA-N 1 0 339.460 4.411 50 0 EIAARO CSCC[C@@H]([NH2+][C@@H](C)c1cccc(C)c1)c1nnc2ccccn21 ZINC000095419563 218359562 /nfs/dbraw/zinc/35/95/62/218359562.db2.gz KVQVFBJSCAZXGB-DOTOQJQBSA-N 1 0 340.496 4.183 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc2ccccc2n1 ZINC000095420349 218360684 /nfs/dbraw/zinc/36/06/84/218360684.db2.gz LBNNGXYOAXEMNQ-INIZCTEOSA-N 1 0 328.419 4.271 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1cncc(F)c1 ZINC000095420539 218361403 /nfs/dbraw/zinc/36/14/03/218361403.db2.gz XQJUMIBBFKFDMW-OAHLLOKOSA-N 1 0 337.398 4.046 50 0 EIAARO Cc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)c(C)s1 ZINC000095420646 218361883 /nfs/dbraw/zinc/36/18/83/218361883.db2.gz BCZGASIJEYCCIV-OAHLLOKOSA-N 1 0 342.508 4.338 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(NC(=O)c2ccncc2)cc1)c1cccs1 ZINC000095421440 218363062 /nfs/dbraw/zinc/36/30/62/218363062.db2.gz IMSZCBLTYWPKHJ-AWEZNQCLSA-N 1 0 337.448 4.246 50 0 EIAARO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 ZINC000095421261 218363485 /nfs/dbraw/zinc/36/34/85/218363485.db2.gz TUGFWRNVJDCNSB-KGLIPLIRSA-N 1 0 328.412 4.265 50 0 EIAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000095422041 218363983 /nfs/dbraw/zinc/36/39/83/218363983.db2.gz FNBUPEJHUUWKNZ-LFPIHBKWSA-N 1 0 349.471 4.201 50 0 EIAARO COc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ncccc1C)C(C)C)CCO2 ZINC000095422490 218364872 /nfs/dbraw/zinc/36/48/72/218364872.db2.gz QIVMZPLCSIVGGT-HKUYNNGSSA-N 1 0 326.440 4.209 50 0 EIAARO CSc1cccc(N(C(=O)c2ccsc2)C2CC[NH+](C)CC2)c1 ZINC000112247756 220272969 /nfs/dbraw/zinc/27/29/69/220272969.db2.gz ZZMOOYZQWZMMOL-UHFFFAOYSA-N 1 0 346.521 4.211 50 0 EIAARO COc1ccc(CC[NH2+][C@H]2CC(C)(C)Cc3occc32)cc1OC ZINC000095967075 218471852 /nfs/dbraw/zinc/47/18/52/218471852.db2.gz RAHUIICDHJWCQK-INIZCTEOSA-N 1 0 329.440 4.143 50 0 EIAARO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)CSC(C)(C)C)CC2)cc1 ZINC000095967636 218472088 /nfs/dbraw/zinc/47/20/88/218472088.db2.gz ZMGDVAVTUYFAKM-INIZCTEOSA-N 1 0 348.556 4.109 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1csc2c1CCCCC2 ZINC000005070468 210382908 /nfs/dbraw/zinc/38/29/08/210382908.db2.gz DRXWSZZXLAXBAT-HZPDHXFCSA-N 1 0 348.556 4.400 50 0 EIAARO CCC[NH+]1CCC(NC(=S)Nc2cccc(Cl)c2Cl)CC1 ZINC000005041888 210372900 /nfs/dbraw/zinc/37/29/00/210372900.db2.gz OIFRAPNOHIHPIL-UHFFFAOYSA-N 1 0 346.327 4.154 50 0 EIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000005043167 210372482 /nfs/dbraw/zinc/37/24/82/210372482.db2.gz YZZLWRCPCIMEHR-DAUOMPHXSA-N 1 0 325.537 4.088 50 0 EIAARO Cc1ccc(-c2nnc(C[NH+]3CCC(Cc4ccccc4)CC3)o2)cc1 ZINC000005031988 210368601 /nfs/dbraw/zinc/36/86/01/210368601.db2.gz ZXNVYAPIRHDBDY-UHFFFAOYSA-N 1 0 347.462 4.500 50 0 EIAARO COc1ccc(C[C@@H](C)[NH2+]CCc2cccc(Cl)c2)cc1OC ZINC000004989465 210351120 /nfs/dbraw/zinc/35/11/20/210351120.db2.gz ZOYFTYFFKMZGGJ-CQSZACIVSA-N 1 0 333.859 4.121 50 0 EIAARO Clc1ccc([C@@H]([NH2+]Cc2c[nH]nc2-c2cccnc2)C2CC2)cc1 ZINC000097159438 218976986 /nfs/dbraw/zinc/97/69/86/218976986.db2.gz QVARZPCMDMVMGY-SFHVURJKSA-N 1 0 338.842 4.366 50 0 EIAARO CCCC[NH+](CCCC)CCNC(=O)Nc1ccc(Cl)cc1 ZINC000004908424 210318660 /nfs/dbraw/zinc/31/86/60/210318660.db2.gz RHECWBGJBWKPFZ-UHFFFAOYSA-N 1 0 325.884 4.364 50 0 EIAARO COc1ccccc1C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC000004810622 210283949 /nfs/dbraw/zinc/28/39/49/210283949.db2.gz LNQQZWAZHLMTPC-UHFFFAOYSA-N 1 0 330.859 4.425 50 0 EIAARO Cc1cc(C[NH+]2CCC(c3nc4cc(Cl)ccc4o3)CC2)on1 ZINC000097491721 219029765 /nfs/dbraw/zinc/02/97/65/219029765.db2.gz BFUFYMIQIHEOJZ-UHFFFAOYSA-N 1 0 331.803 4.157 50 0 EIAARO COc1nc2ccccc2cc1-c1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000426380720 257970886 /nfs/dbraw/zinc/97/08/86/257970886.db2.gz UATORSPPHQDCEP-MRXNPFEDSA-N 1 0 348.446 4.304 50 0 EIAARO CC(C)(C)c1ccc(CC[C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)cc1 ZINC000000171798 258047742 /nfs/dbraw/zinc/04/77/42/258047742.db2.gz VVQPTNXUXFFVHA-VQTJNVASSA-N 1 0 331.500 4.144 50 0 EIAARO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245304969 258000356 /nfs/dbraw/zinc/00/03/56/258000356.db2.gz HIPXPRGUIYLXAL-MNEFBYGVSA-N 1 0 341.524 4.021 50 0 EIAARO C[N@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000001081316 258048886 /nfs/dbraw/zinc/04/88/86/258048886.db2.gz MXYUKLILVYORSK-NJDAHSKKSA-N 1 0 337.463 4.236 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccccc1)c1cccc(OCc2ccccc2)c1 ZINC000075772286 258065277 /nfs/dbraw/zinc/06/52/77/258065277.db2.gz IMXPVDJTXSLWFX-QFIPXVFZSA-N 1 0 333.431 4.089 50 0 EIAARO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cnc(C(C)(C)C)s2)cc1 ZINC000095459055 258067185 /nfs/dbraw/zinc/06/71/85/258067185.db2.gz KNTBNDQNQAETKB-DYVFJYSZSA-N 1 0 348.512 4.315 50 0 EIAARO CC[C@H]1C[N@H+](Cc2cccc3cccnc32)Cc2cc(OC)ccc2O1 ZINC000299767053 258081211 /nfs/dbraw/zinc/08/12/11/258081211.db2.gz BLOUNCBUOBHQQZ-IBGZPJMESA-N 1 0 348.446 4.417 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccccn2)cc1OCc1ccsc1 ZINC000299768855 258082804 /nfs/dbraw/zinc/08/28/04/258082804.db2.gz ZNSRPFSSAPTCEF-UHFFFAOYSA-N 1 0 340.448 4.021 50 0 EIAARO CC(=O)c1ccc(N2CC[NH+](Cc3c(C)[nH]c4ccccc43)CC2)cc1 ZINC000055031447 132192813 /nfs/dbraw/zinc/19/28/13/132192813.db2.gz IMGLWQZADRMTIG-UHFFFAOYSA-N 1 0 347.462 4.001 50 0 EIAARO Cc1ccc2c(c1)[nH]c(=O)c(C[NH+]1CCCCC1)c2-c1ccccc1 ZINC000170619389 226661339 /nfs/dbraw/zinc/66/13/39/226661339.db2.gz NCFATCSMUHOGAA-UHFFFAOYSA-N 1 0 332.447 4.489 50 0 EIAARO CCC[NH+](CCC)[C@@H](C)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000002999423 521650335 /nfs/dbraw/zinc/65/03/35/521650335.db2.gz SODFWAHNAQBQBK-SFHVURJKSA-N 1 0 330.516 4.125 50 0 EIAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036100787 521683470 /nfs/dbraw/zinc/68/34/70/521683470.db2.gz YZGDHGICJNLWLB-QFIPXVFZSA-N 1 0 341.495 4.093 50 0 EIAARO CCC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccsc1 ZINC000191197834 528213693 /nfs/dbraw/zinc/21/36/93/528213693.db2.gz ISPHZOSQQGYCCD-KRWDZBQOSA-N 1 0 332.469 4.077 50 0 EIAARO CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)C1(C)C ZINC000229793911 535371963 /nfs/dbraw/zinc/37/19/63/535371963.db2.gz VINKXWSOYAMQEJ-ZCNNSNEGSA-N 1 0 346.559 4.195 50 0 EIAARO C[NH+](C)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000001668588 563401311 /nfs/dbraw/zinc/40/13/11/563401311.db2.gz NUNIWXHYABYXKF-KRWDZBQOSA-N 1 0 334.257 4.117 50 0 world EIAARO CC[NH+](CC)CCNc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000000149262 563245771 /nfs/dbraw/zinc/24/57/71/563245771.db2.gz CQMOXYCORVGSSV-UHFFFAOYSA-N 1 0 344.459 4.251 50 0 EIAARO Cc1ccc(-c2cn3c4ccccc4nc3n2CC[NH+]2CCCC2)cc1 ZINC000000240862 563265032 /nfs/dbraw/zinc/26/50/32/563265032.db2.gz IXAMFJHLLOPSJF-UHFFFAOYSA-N 1 0 344.462 4.360 50 0 EIAARO COc1ccc(-c2cc([C@@H](O)[C@@H]3CCCC[NH2+]3)c3ccccc3n2)cc1 ZINC000001608707 563396075 /nfs/dbraw/zinc/39/60/75/563396075.db2.gz PKDJQOGOVQLPPG-RBBKRZOGSA-N 1 0 348.446 4.086 50 0 in-vitro EIAARO C[NH+]1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1 ZINC000003157469 563474862 /nfs/dbraw/zinc/47/48/62/563474862.db2.gz MZNMLVWEPJNOFY-UHFFFAOYSA-N 1 0 337.286 4.382 50 0 EIAARO CCc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000004550579 563505005 /nfs/dbraw/zinc/50/50/05/563505005.db2.gz ZALYQQMCEYRQJP-UHFFFAOYSA-N 1 0 342.527 4.300 50 0 EIAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1 ZINC000004935190 563515407 /nfs/dbraw/zinc/51/54/07/563515407.db2.gz FWCGEZGDTJLLJS-UHFFFAOYSA-N 1 0 348.446 4.349 50 0 EIAARO C[NH+]1CCC(O[C@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000006638544 563575958 /nfs/dbraw/zinc/57/59/58/563575958.db2.gz YOAORJGYOFRIRQ-FQEVSTJZSA-N 1 0 325.477 4.493 50 0 EIAARO CCOc1ccccc1CN1CC[N@@H+]2CCC[C@H]2[C@@H]1C1CCCCC1 ZINC000584904384 563602112 /nfs/dbraw/zinc/60/21/12/563602112.db2.gz WLKXQMWVHDLBJL-UNMCSNQZSA-N 1 0 342.527 4.314 50 0 EIAARO O=C(NC1CCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000002828186 563617205 /nfs/dbraw/zinc/61/72/05/563617205.db2.gz VMWKYYUFVNVRMM-UHFFFAOYSA-N 1 0 348.918 4.391 50 0 EIAARO CCCC[N@H+](C)Cc1c(C)[nH]c2ccc(Br)cc2c1=O ZINC000008663487 563634638 /nfs/dbraw/zinc/63/46/38/563634638.db2.gz ZVBYDEONOULDFL-UHFFFAOYSA-N 1 0 337.261 4.243 50 0 EIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000012584556 563663892 /nfs/dbraw/zinc/66/38/92/563663892.db2.gz MDQMBLZIWDVTHT-NRFANRHFSA-N 1 0 327.443 4.033 50 0 EIAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000032611677 563665435 /nfs/dbraw/zinc/66/54/35/563665435.db2.gz HHKSZPNOFHQSPQ-KRWDZBQOSA-N 1 0 348.368 4.309 50 0 EIAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](C2CCC2)CC1 ZINC000012715502 563668979 /nfs/dbraw/zinc/66/89/79/563668979.db2.gz NCHHLKIAKLCZOJ-UHFFFAOYSA-N 1 0 335.875 4.080 50 0 EIAARO COc1ccc(F)cc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000012979632 563681278 /nfs/dbraw/zinc/68/12/78/563681278.db2.gz PQNQLOGYYWCNIH-UHFFFAOYSA-N 1 0 340.398 4.355 50 0 EIAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1cccc(Cl)c1 ZINC000012987365 563682382 /nfs/dbraw/zinc/68/23/82/563682382.db2.gz SNSXTQMXXLHJJI-SFHVURJKSA-N 1 0 343.858 4.299 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000013154395 563691320 /nfs/dbraw/zinc/69/13/20/563691320.db2.gz WPYJHCPYGNYTGC-STJITEESSA-N 1 0 325.537 4.232 50 0 EIAARO O=C(Nc1ccccc1)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000013721254 563716425 /nfs/dbraw/zinc/71/64/25/563716425.db2.gz RQWKKFZNTQLDCG-LJQANCHMSA-N 1 0 329.488 4.339 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cc2ccc(F)cc2s1)c1cccs1 ZINC000032747941 563725697 /nfs/dbraw/zinc/72/56/97/563725697.db2.gz OFJJVXCRVBAYGU-CYBMUJFWSA-N 1 0 348.468 4.135 50 0 EIAARO CC(C)n1cc(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)ncc32)cn1 ZINC000014957565 563768035 /nfs/dbraw/zinc/76/80/35/563768035.db2.gz DFLZNZDGCCUNFR-IBGZPJMESA-N 1 0 347.466 4.088 50 0 EIAARO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+]CCC(C)C)CC3)nc2c1 ZINC000014987314 563770517 /nfs/dbraw/zinc/77/05/17/563770517.db2.gz FHUYHWXRVLZVBX-SFHVURJKSA-N 1 0 340.515 4.241 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2cccc3ccccc32)[NH+]2CCCC2)o1 ZINC000015860243 563796598 /nfs/dbraw/zinc/79/65/98/563796598.db2.gz XHJBJMHRCUMTTP-HXUWFJFHSA-N 1 0 348.446 4.308 50 0 EIAARO Cc1cccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000017070938 563833489 /nfs/dbraw/zinc/83/34/89/563833489.db2.gz QJYOCXPATXTXGQ-UHFFFAOYSA-N 1 0 337.467 4.090 50 0 EIAARO Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2ccccc12 ZINC000022109197 563862117 /nfs/dbraw/zinc/86/21/17/563862117.db2.gz KNVSFXAIZSBAGH-JXMROGBWSA-N 1 0 343.474 4.379 50 0 EIAARO CCC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1ccccc1 ZINC000025562307 563886062 /nfs/dbraw/zinc/88/60/62/563886062.db2.gz JUSYZCSBLWQLDA-IRXDYDNUSA-N 1 0 330.497 4.051 50 0 EIAARO Cc1cccc(N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)c1 ZINC000025931010 563889257 /nfs/dbraw/zinc/88/92/57/563889257.db2.gz SMBHHJGDBRFBKX-UHFFFAOYSA-N 1 0 335.426 4.005 50 0 EIAARO CC(C)c1ccc(C[NH+]2CCN(c3cnc4ccccc4n3)CC2)cc1 ZINC000026136377 563890219 /nfs/dbraw/zinc/89/02/19/563890219.db2.gz IJGVLPUGCOFCQD-UHFFFAOYSA-N 1 0 346.478 4.075 50 0 EIAARO Cc1c2cc(Cl)ccc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000027664247 563898486 /nfs/dbraw/zinc/89/84/86/563898486.db2.gz JEWBLGOARSGHBZ-UHFFFAOYSA-N 1 0 348.874 4.389 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(-c3ccccc3F)s2)CC1 ZINC000046319992 563929462 /nfs/dbraw/zinc/92/94/62/563929462.db2.gz AQRHWWLLODULOE-UHFFFAOYSA-N 1 0 346.471 4.157 50 0 EIAARO CC[C@H](C)[NH2+]CCOCCOc1c(Cl)cc(Cl)cc1Cl ZINC000002823265 563932583 /nfs/dbraw/zinc/93/25/83/563932583.db2.gz DIIAHOBIYALXKE-JTQLQIEISA-N 1 0 340.678 4.430 50 0 EIAARO CC[C@@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1F ZINC000096415080 563951063 /nfs/dbraw/zinc/95/10/63/563951063.db2.gz QTGBMCXMJQYULT-BDJLRTHQSA-N 1 0 346.377 4.098 50 0 EIAARO CC[C@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1F ZINC000096415079 563951096 /nfs/dbraw/zinc/95/10/96/563951096.db2.gz QTGBMCXMJQYULT-BZNIZROVSA-N 1 0 346.377 4.098 50 0 EIAARO CC1(C)C[C@@H](c2nccn2CC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000071747977 563964995 /nfs/dbraw/zinc/96/49/95/563964995.db2.gz GVLVEVRYBBGOFZ-SFHVURJKSA-N 1 0 345.531 4.210 50 0 EIAARO CC1(C)C[C@H](c2nccn2CC2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000071747976 563965017 /nfs/dbraw/zinc/96/50/17/563965017.db2.gz GVLVEVRYBBGOFZ-GOSISDBHSA-N 1 0 345.531 4.210 50 0 EIAARO Cc1cc(O)cc(C)c1C[N@@H+]1CCO[C@H](CCCc2ccccc2)C1 ZINC000071752447 563965207 /nfs/dbraw/zinc/96/52/07/563965207.db2.gz GPTTYTSDANMALE-OAQYLSRUSA-N 1 0 339.479 4.233 50 0 EIAARO COc1ccc(O)cc1C[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071760087 563965355 /nfs/dbraw/zinc/96/53/55/563965355.db2.gz FQWAYGGKTJDJMO-INIZCTEOSA-N 1 0 343.442 4.385 50 0 EIAARO C[C@H](NC1(C[NH2+][C@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000097009612 563966651 /nfs/dbraw/zinc/96/66/51/563966651.db2.gz WHGOYLYBXBVTMZ-HBFSDRIKSA-N 1 0 330.516 4.055 50 0 EIAARO FC(F)Oc1ccc(CN2CCCC[C@H]2CC[NH+]2CCCC2)cc1 ZINC000077341361 563969009 /nfs/dbraw/zinc/96/90/09/563969009.db2.gz YZKVDMZQMYQGFY-KRWDZBQOSA-N 1 0 338.442 4.128 50 0 EIAARO Cc1c2ccc(C)c(C)c2oc1-c1nc(CC2CC[NH+](C)CC2)no1 ZINC000077376416 563969223 /nfs/dbraw/zinc/96/92/23/563969223.db2.gz NPOWAQLVAIWOLJ-UHFFFAOYSA-N 1 0 339.439 4.292 50 0 EIAARO Cc1occc1C(=O)N1CCCC[C@H]1c1ccc(C[NH+](C)C)cc1 ZINC000077418963 563969531 /nfs/dbraw/zinc/96/95/31/563969531.db2.gz FFRLTCZZMVAVJH-IBGZPJMESA-N 1 0 326.440 4.017 50 0 EIAARO COc1cc[nH+]c(N[C@H](C)c2sc(-c3cccnc3)nc2C)c1 ZINC000097038796 563971376 /nfs/dbraw/zinc/97/13/76/563971376.db2.gz QKVIEWATRIOBRO-LLVKDONJSA-N 1 0 326.425 4.090 50 0 EIAARO Clc1cccc(C[N@@H+]2CCC[C@H](c3nccn3CC3CC3)C2)c1 ZINC000082096522 563972119 /nfs/dbraw/zinc/97/21/19/563972119.db2.gz GUHLGSKPTXEWRA-KRWDZBQOSA-N 1 0 329.875 4.326 50 0 EIAARO Cc1ccc2oc(C(=O)N3CCC[N@@H+](C4CCCCC4)CC3)cc2c1 ZINC000082138660 563972682 /nfs/dbraw/zinc/97/26/82/563972682.db2.gz CJEAHFMHNJJWPT-UHFFFAOYSA-N 1 0 340.467 4.222 50 0 EIAARO Cc1cccc(-c2cccc(NC(=O)N3CCC[C@H]([NH+](C)C)C3)c2)c1 ZINC000096150209 563979654 /nfs/dbraw/zinc/97/96/54/563979654.db2.gz JTUHTIAYEZFLGM-FQEVSTJZSA-N 1 0 337.467 4.220 50 0 EIAARO Cc1cccc(-c2nnc(C[NH+]3CCC(Cc4ccccc4)CC3)o2)c1 ZINC000062639728 564007001 /nfs/dbraw/zinc/00/70/01/564007001.db2.gz GJICAWBNEYGZQW-UHFFFAOYSA-N 1 0 347.462 4.500 50 0 EIAARO c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]Cc2cccnc2)c1 ZINC000017310103 564011578 /nfs/dbraw/zinc/01/15/78/564011578.db2.gz IOMHXRQMZLFCDD-UHFFFAOYSA-N 1 0 346.459 4.286 50 0 EIAARO COc1cc(C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(OC)c1 ZINC000000172211 564012153 /nfs/dbraw/zinc/01/21/53/564012153.db2.gz GPODWYHABMDXQL-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)cc1F)c1ccccc1 ZINC000018179942 564018610 /nfs/dbraw/zinc/01/86/10/564018610.db2.gz ITWRHJPFYUJFSK-SFHVURJKSA-N 1 0 347.409 4.169 50 0 EIAARO O[C@@H](COc1cccc2ccccc21)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000107347165 564026894 /nfs/dbraw/zinc/02/68/94/564026894.db2.gz OWLWGTWFFKUJNX-LEWJYISDSA-N 1 0 347.458 4.069 50 0 EIAARO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccnn2C(C)C)cc1 ZINC000048302391 564030885 /nfs/dbraw/zinc/03/08/85/564030885.db2.gz CEUYNLFRPRCZPL-INIZCTEOSA-N 1 0 342.487 4.046 50 0 EIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000008157000 564034735 /nfs/dbraw/zinc/03/47/35/564034735.db2.gz YUQAAVCWFAVHHJ-OAHLLOKOSA-N 1 0 349.887 4.360 50 0 EIAARO CCOc1ccc(-c2c[nH+]c(NCc3cccc(OC)c3)n2C)cc1 ZINC000000819170 564035252 /nfs/dbraw/zinc/03/52/52/564035252.db2.gz JUDOCXYCNGQLFN-UHFFFAOYSA-N 1 0 337.423 4.107 50 0 EIAARO CCCCc1oc2ccccc2c1CNCc1nnc2ccccn21 ZINC000058138220 564035453 /nfs/dbraw/zinc/03/54/53/564035453.db2.gz YIJLTRKNOCBLLL-UHFFFAOYSA-N 1 0 334.423 4.108 50 0 EIAARO OCCCCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000247762829 564052781 /nfs/dbraw/zinc/05/27/81/564052781.db2.gz ISVFVSUVQWYMLE-UHFFFAOYSA-N 1 0 340.442 4.081 50 0 EIAARO C[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000248067735 564052953 /nfs/dbraw/zinc/05/29/53/564052953.db2.gz AFWMPQPGSBQGCT-UHFFFAOYSA-N 1 0 347.249 4.020 50 0 EIAARO Clc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c2c(c1)COCO2 ZINC000025358646 564054250 /nfs/dbraw/zinc/05/42/50/564054250.db2.gz GEMZUJJIJKLUJQ-LJQANCHMSA-N 1 0 343.854 4.414 50 0 EIAARO C[C@H](c1cccc(-c2ccc3c(c2)CN(C)C(=O)N3)c1)[NH+]1CCCC1 ZINC000534587723 564061188 /nfs/dbraw/zinc/06/11/88/564061188.db2.gz CPWSTSPHMWNPRA-OAHLLOKOSA-N 1 0 335.451 4.488 50 0 EIAARO Cc1ccc(C(=O)[C@H](O)[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000001394791 564064659 /nfs/dbraw/zinc/06/46/59/564064659.db2.gz QIAUEJSGCORVTR-RBBKRZOGSA-N 1 0 337.463 4.074 50 0 EIAARO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)sc2nc(C)cc(C)c12 ZINC000012736418 564064686 /nfs/dbraw/zinc/06/46/86/564064686.db2.gz JKRZXZSYRNTYFI-UHFFFAOYSA-N 1 0 347.528 4.070 50 0 EIAARO O[C@@H](C[NH2+]Cc1cccc(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000084562766 564068708 /nfs/dbraw/zinc/06/87/08/564068708.db2.gz MVPDOYUSASHPGB-NRFANRHFSA-N 1 0 339.385 4.455 50 0 EIAARO c1csc(-c2noc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)n2)c1 ZINC000012777975 564069699 /nfs/dbraw/zinc/06/96/99/564069699.db2.gz DNOIOFCZRLEFTP-OAHLLOKOSA-N 1 0 325.437 4.005 50 0 EIAARO Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000012782223 564070065 /nfs/dbraw/zinc/07/00/65/564070065.db2.gz UASGSKCAXINGKU-PXNSSMCTSA-N 1 0 337.467 4.342 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc([S@](C)=O)cc3)oc21 ZINC000085299263 564072470 /nfs/dbraw/zinc/07/24/70/564072470.db2.gz MJVYCTUFHLBTKM-RKNYENMMSA-N 1 0 343.448 4.030 50 0 EIAARO Cc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000012809883 564072552 /nfs/dbraw/zinc/07/25/52/564072552.db2.gz IUPMUJYWPGJCSN-PXNSSMCTSA-N 1 0 337.467 4.342 50 0 EIAARO Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000005968102 564072756 /nfs/dbraw/zinc/07/27/56/564072756.db2.gz ZDOYPOMEISNALF-MJGOQNOKSA-N 1 0 327.468 4.209 50 0 EIAARO COc1ccccc1NC(=O)CC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC000012940791 564079583 /nfs/dbraw/zinc/07/95/83/564079583.db2.gz KCBKXLOQOPDZKW-UHFFFAOYSA-N 1 0 340.467 4.279 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1 ZINC000575618684 564083710 /nfs/dbraw/zinc/08/37/10/564083710.db2.gz AXTHIEGIXVERBB-LBPRGKRZSA-N 1 0 348.855 4.180 50 0 EIAARO Cc1ccccc1NC(=O)NC[C@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575621833 564083967 /nfs/dbraw/zinc/08/39/67/564083967.db2.gz VRTLDTYIINTMJK-QGZVFWFLSA-N 1 0 337.423 4.166 50 0 EIAARO CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc2cc(OC)ccc2c1 ZINC000090455298 564084406 /nfs/dbraw/zinc/08/44/06/564084406.db2.gz RPHKIPVTOCSYTP-QUCCMNQESA-N 1 0 335.451 4.170 50 0 EIAARO CCc1ccc([C@@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)o1 ZINC000090667704 564085846 /nfs/dbraw/zinc/08/58/46/564085846.db2.gz HFUDNXZUWOLPKJ-CVEARBPZSA-N 1 0 327.472 4.113 50 0 EIAARO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000090974828 564087141 /nfs/dbraw/zinc/08/71/41/564087141.db2.gz CKQMVKKGXCNQEV-OAHLLOKOSA-N 1 0 340.442 4.154 50 0 EIAARO COc1cc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)cc(OC)c1OC ZINC000239433415 564088154 /nfs/dbraw/zinc/08/81/54/564088154.db2.gz XQRWVLYBJVRVPB-IXDOHACOSA-N 1 0 333.472 4.161 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCCc2ccccc21)C(=O)Nc1cccc(Cl)c1 ZINC000006638933 564094763 /nfs/dbraw/zinc/09/47/63/564094763.db2.gz YDTGXDPVOVASKX-FZKQIMNGSA-N 1 0 328.843 4.334 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1ccccc1C ZINC000169681702 564098237 /nfs/dbraw/zinc/09/82/37/564098237.db2.gz NOTLZLDQNKMMMF-PZJWPPBQSA-N 1 0 341.495 4.344 50 0 EIAARO CC(C)[NH+](CCNC(=O)c1sccc1-c1ccccc1)C(C)C ZINC000006851029 564099619 /nfs/dbraw/zinc/09/96/19/564099619.db2.gz ATLJRLJTBUXUHR-UHFFFAOYSA-N 1 0 330.497 4.264 50 0 EIAARO COc1ccc(-c2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1OC ZINC000007001503 564102956 /nfs/dbraw/zinc/10/29/56/564102956.db2.gz HZMYFGMYYPWYMU-KBPBESRZSA-N 1 0 346.496 4.305 50 0 EIAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]C1CC1)c1ccccc1 ZINC000007003114 564103015 /nfs/dbraw/zinc/10/30/15/564103015.db2.gz KWUWPAGMIMJHSU-INIZCTEOSA-N 1 0 334.341 4.137 50 0 EIAARO CCCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000065552577 564107483 /nfs/dbraw/zinc/10/74/83/564107483.db2.gz SZXZMIJDZHXOLW-AWEZNQCLSA-N 1 0 338.442 4.044 50 0 EIAARO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cccc(-n2ccnc2)c1 ZINC000089905379 564115093 /nfs/dbraw/zinc/11/50/93/564115093.db2.gz MWRLYAKNPBZBAN-CQSZACIVSA-N 1 0 338.480 4.447 50 0 EIAARO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cccc(-n2cccn2)c1 ZINC000089905372 564115103 /nfs/dbraw/zinc/11/51/03/564115103.db2.gz UHFRQVOCARRGDR-AWEZNQCLSA-N 1 0 338.480 4.447 50 0 EIAARO Cc1cc(-c2cccc(F)c2)nnc1NC1CC[NH+](CC(C)C)CC1 ZINC000076061536 564115183 /nfs/dbraw/zinc/11/51/83/564115183.db2.gz WFWAFMZITTVSFS-UHFFFAOYSA-N 1 0 342.462 4.123 50 0 EIAARO CSC1(C[NH2+][C@@H](C)c2sc(C(C)C)nc2C)CCOCC1 ZINC000090112984 564116282 /nfs/dbraw/zinc/11/62/82/564116282.db2.gz PLNYTCCRJLUIBF-LBPRGKRZSA-N 1 0 328.547 4.138 50 0 EIAARO Cc1cc(OCCOCC[NH2+]Cc2ccccc2)ccc1C(C)C ZINC000002822401 564116927 /nfs/dbraw/zinc/11/69/27/564116927.db2.gz KAOSDDZQSNVTFJ-UHFFFAOYSA-N 1 0 327.468 4.304 50 0 EIAARO COc1ccc(C[NH2+]CC[C@@]2(C(C)C)CCOC(C)(C)C2)cc1OC ZINC000002098066 564117597 /nfs/dbraw/zinc/11/75/97/564117597.db2.gz JYRQQKIOHWOXDX-OAQYLSRUSA-N 1 0 349.515 4.415 50 0 biogenic EIAARO CC1CC[NH+](Cc2cc(=O)oc3cc(-c4ccccc4)c(O)cc23)CC1 ZINC000002122938 564118419 /nfs/dbraw/zinc/11/84/19/564118419.db2.gz NWVXZCNZCSPGAR-UHFFFAOYSA-N 1 0 349.430 4.398 50 0 biogenic EIAARO CCc1ccc([C@H]2COCCN2C[C@H]2CCC3(CCCCC3)O2)o1 ZINC000252587368 564120834 /nfs/dbraw/zinc/12/08/34/564120834.db2.gz XSLFRLVTTYVSDH-QZTJIDSGSA-N 1 0 333.472 4.097 50 0 EIAARO CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000170677573 564121395 /nfs/dbraw/zinc/12/13/95/564121395.db2.gz NXUZUKMPUTZNSE-HNAYVOBHSA-N 1 0 326.440 4.030 50 0 EIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)c2ccccc2)cc1 ZINC000012995968 564135805 /nfs/dbraw/zinc/13/58/05/564135805.db2.gz CNUZOMJKZZDSHE-LEWJYISDSA-N 1 0 325.452 4.346 50 0 EIAARO CC(C)CC(=O)Nc1ccc(C[N@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000095461564 564140787 /nfs/dbraw/zinc/14/07/87/564140787.db2.gz JUSHNMWPKVYQOI-FQEVSTJZSA-N 1 0 346.515 4.451 50 0 EIAARO O[C@@H](C1CC[NH+]([C@H]2CCCCc3ccccc32)CC1)C(F)(F)F ZINC000095968374 564143186 /nfs/dbraw/zinc/14/31/86/564143186.db2.gz JCCCIRUULSLXLX-IRXDYDNUSA-N 1 0 327.390 4.089 50 0 EIAARO O[C@H](C1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1)C(F)(F)F ZINC000095968377 564143188 /nfs/dbraw/zinc/14/31/88/564143188.db2.gz JCCCIRUULSLXLX-IAGOWNOFSA-N 1 0 327.390 4.089 50 0 EIAARO CCc1ccc(C[N@H+](C)C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000002644539 564151782 /nfs/dbraw/zinc/15/17/82/564151782.db2.gz YZFWDYAPPWGHIE-NRFANRHFSA-N 1 0 349.474 4.274 50 0 EIAARO CC[C@H]1CCCC[N@@H+]1CCCNc1[nH]c(=S)nc2ccccc21 ZINC000002932957 564153123 /nfs/dbraw/zinc/15/31/23/564153123.db2.gz VBJFOKPYANPXPU-AWEZNQCLSA-N 1 0 330.501 4.359 50 0 EIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1 ZINC000003060150 564154851 /nfs/dbraw/zinc/15/48/51/564154851.db2.gz CIIGAVQQPAFQNJ-INIZCTEOSA-N 1 0 333.545 4.195 50 0 EIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000003060046 564154861 /nfs/dbraw/zinc/15/48/61/564154861.db2.gz LNYADQIWPKISMP-MRXNPFEDSA-N 1 0 333.545 4.195 50 0 EIAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000057626720 564155207 /nfs/dbraw/zinc/15/52/07/564155207.db2.gz ULYLRUWNCIPQDB-QKLQHJQFSA-N 1 0 344.499 4.012 50 0 EIAARO CC(C)[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000057647966 564155264 /nfs/dbraw/zinc/15/52/64/564155264.db2.gz GSMVYGFVLRZCNC-IBGZPJMESA-N 1 0 348.849 4.082 50 0 EIAARO C[C@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211536 564156004 /nfs/dbraw/zinc/15/60/04/564156004.db2.gz GCGQKWVEEUIHKE-YOEHRIQHSA-N 1 0 329.469 4.095 50 0 EIAARO CCC(C)(C)c1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1 ZINC000003242096 564156525 /nfs/dbraw/zinc/15/65/25/564156525.db2.gz SYSFFVIMEVYQTI-LJQANCHMSA-N 1 0 333.516 4.378 50 0 EIAARO Cc1ccc([C@@H](C(=O)NC2CCCCC2)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058012651 564157182 /nfs/dbraw/zinc/15/71/82/564157182.db2.gz VDERFUJMNKLXHF-UEXGIBASSA-N 1 0 342.527 4.463 50 0 EIAARO Cc1ccc([C@H](C(=O)NC2CCCC2)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000058012597 564157208 /nfs/dbraw/zinc/15/72/08/564157208.db2.gz RWNXKLSXBTXDBA-ABSDTBQOSA-N 1 0 328.500 4.073 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc(F)cc(F)c1 ZINC000031621455 564159624 /nfs/dbraw/zinc/15/96/24/564159624.db2.gz HTASJCASZPUTHH-UHFFFAOYSA-N 1 0 330.378 4.203 50 0 EIAARO CC(C)Oc1ccc([C@@H](CC[NH2+]C2CCN(C)CC2)C(C)C)cc1 ZINC000031817900 564159962 /nfs/dbraw/zinc/15/99/62/564159962.db2.gz UPCRAPFPEZOGTA-NRFANRHFSA-N 1 0 332.532 4.287 50 0 EIAARO C[C@H](C(=O)Nc1ccc(F)cc1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008226146 564163704 /nfs/dbraw/zinc/16/37/04/564163704.db2.gz QOEZJEDASGJPBH-OAHLLOKOSA-N 1 0 336.410 4.438 50 0 EIAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@H+]1CCCC[C@@H]1C ZINC000008714082 564166690 /nfs/dbraw/zinc/16/66/90/564166690.db2.gz QRMPNUKJYQKALC-NSHDSACASA-N 1 0 349.272 4.386 50 0 EIAARO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000008723658 564166973 /nfs/dbraw/zinc/16/69/73/564166973.db2.gz QRSBEGZJEAHYSN-DNVCBOLYSA-N 1 0 335.451 4.223 50 0 EIAARO C[N@H+](Cc1csc(-c2cccs2)n1)C1Cc2ccccc2C1 ZINC000069418364 564169319 /nfs/dbraw/zinc/16/93/19/564169319.db2.gz QMQASPHMGDZCJK-UHFFFAOYSA-N 1 0 326.490 4.471 50 0 EIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)Nc1cccc(C)c1 ZINC000069460715 564169721 /nfs/dbraw/zinc/16/97/21/564169721.db2.gz MZPWVJJAXPBTKB-UYAOXDASSA-N 1 0 335.451 4.143 50 0 EIAARO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cccc(Cl)c1Cl ZINC000069654789 564171195 /nfs/dbraw/zinc/17/11/95/564171195.db2.gz XFGKLRADGBRZEB-UHFFFAOYSA-N 1 0 347.205 4.135 50 0 EIAARO CCN(CC)C(=O)C1CC[NH+]([C@H](C)c2cccc3ccccc32)CC1 ZINC000069680274 564171442 /nfs/dbraw/zinc/17/14/42/564171442.db2.gz XAHFJJHOTJMJOB-QGZVFWFLSA-N 1 0 338.495 4.481 50 0 EIAARO O=C(N[C@H]1CCC[C@@H]1n1ccnc1)c1sc2ccccc2c1Cl ZINC000071843162 564175872 /nfs/dbraw/zinc/17/58/72/564175872.db2.gz IXLHSRJQJJHWTA-STQMWFEESA-N 1 0 345.855 4.275 50 0 EIAARO O=C(N[C@@H]1CCC[C@H]1n1ccnc1)c1sc2ccccc2c1Cl ZINC000071843164 564175885 /nfs/dbraw/zinc/17/58/85/564175885.db2.gz IXLHSRJQJJHWTA-CHWSQXEVSA-N 1 0 345.855 4.275 50 0 EIAARO COc1cc(CN2CCC[C@H]2c2ccc(Cl)cc2)cc(OC)c1O ZINC000015836682 568420117 /nfs/dbraw/zinc/42/01/17/568420117.db2.gz AHTSWLWTFJWSHC-INIZCTEOSA-N 1 0 347.842 4.400 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000581805511 1021880599 /nfs/dbraw/zinc/88/05/99/1021880599.db2.gz BBFPVWVHOCUZEN-GOSISDBHSA-N 1 0 348.450 4.028 50 0 EIAARO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)C[C@@H](C)SC2CCCCC2)C1 ZINC000888096077 1025997841 /nfs/dbraw/zinc/99/78/41/1025997841.db2.gz JJLFRFWQGVJMRM-LZLYRXPVSA-N 1 0 340.577 4.068 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc(-c2cnn(C)c2)c1)c1cnn(C2CCCC2)c1 ZINC000337460658 1026814502 /nfs/dbraw/zinc/81/45/02/1026814502.db2.gz KGCJSGQBOZMBCW-MRXNPFEDSA-N 1 0 349.482 4.250 50 0 EIAARO Clc1ccc(OCCCC[NH+]2CCCC2)c(Br)c1 ZINC000003003116 1027806278 /nfs/dbraw/zinc/80/62/78/1027806278.db2.gz DOBYUSNKDOEUQS-UHFFFAOYSA-N 1 0 332.669 4.357 50 0 EIAARO Cc1ccc2c(c1)cc(C[NH2+]Cc1cc3ccccc3s1)c(=O)n2C ZINC000023128569 1027811242 /nfs/dbraw/zinc/81/12/42/1027811242.db2.gz BXNQPXXGFQZVQW-UHFFFAOYSA-N 1 0 348.471 4.351 50 0 EIAARO CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1Br ZINC000023280544 1031336369 /nfs/dbraw/zinc/33/63/69/1031336369.db2.gz QGCBFFQJWJNOSG-ZDUSSCGKSA-N 1 0 342.277 4.231 50 0 EIAARO CCC[N@H+](C)C[C@H]1CCN(Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000081571118 1040083659 /nfs/dbraw/zinc/08/36/59/1040083659.db2.gz KRYMVIMIPBDXAH-OAHLLOKOSA-N 1 0 347.890 4.159 50 0 EIAARO C[C@@H](CCCC(C)(C)O)CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000032582127 1041835555 /nfs/dbraw/zinc/83/55/55/1041835555.db2.gz HVSLWNDFMZVPDM-RBUKOAKNSA-N 1 0 332.532 4.070 50 0 EIAARO Clc1ccc([C@H](Cc2cccnc2)[NH2+]CC2CCOCC2)cc1 ZINC000546873171 1043116297 /nfs/dbraw/zinc/11/62/97/1043116297.db2.gz DHLWWYJOBAQLPS-IBGZPJMESA-N 1 0 330.859 4.035 50 0 EIAARO c1coc([C@@H](CC[NH2+]C2CSCCSC2)c2ccccc2)c1 ZINC000820424922 1043857916 /nfs/dbraw/zinc/85/79/16/1043857916.db2.gz KTBJKGQBNLSQRU-KRWDZBQOSA-N 1 0 333.522 4.240 50 0 EIAARO CCCC[C@@H](NC(=O)CC[NH+]1CCCCCCC1)c1cccnc1 ZINC000822830887 1044174507 /nfs/dbraw/zinc/17/45/07/1044174507.db2.gz BODHKAXVCWSDEV-LJQANCHMSA-N 1 0 331.504 4.085 50 0 EIAARO C[C@@H]([NH2+]CC1(c2ccccc2)CCCC1)[C@H]1COc2ccccc2O1 ZINC000012383359 1045134008 /nfs/dbraw/zinc/13/40/08/1045134008.db2.gz OHTRLVBZKDEHOY-DYESRHJHSA-N 1 0 337.463 4.317 50 0 EIAARO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000585081450 1049390745 /nfs/dbraw/zinc/39/07/45/1049390745.db2.gz MIBDHHZUFZAIKD-CYBMUJFWSA-N 1 0 349.906 4.371 50 0 EIAARO Clc1ccncc1CNC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000952863913 1049680465 /nfs/dbraw/zinc/68/04/65/1049680465.db2.gz GTMHCNQXSFUGOA-HXUWFJFHSA-N 1 0 343.902 4.442 50 0 EIAARO Fc1ccccc1CN1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1 ZINC000952972106 1049683362 /nfs/dbraw/zinc/68/33/62/1049683362.db2.gz WJOLDFUTJOCQJH-IBGZPJMESA-N 1 0 337.442 4.061 50 0 EIAARO C[C@H](c1cccnc1)[N@H+](C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000179626143 1049692019 /nfs/dbraw/zinc/69/20/19/1049692019.db2.gz LFQYHQIMQAJREG-CQSZACIVSA-N 1 0 346.858 4.132 50 0 EIAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)Nc2ccccc2F)CC1 ZINC000581787903 1059991422 /nfs/dbraw/zinc/99/14/22/1059991422.db2.gz IEMAOMKMQHPKCS-KRWDZBQOSA-N 1 0 347.478 4.334 50 0 EIAARO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CCOCC2CC2)CCO3)o1 ZINC000581811623 1060011258 /nfs/dbraw/zinc/01/12/58/1060011258.db2.gz YSCAHDZHZWGJLR-SFHVURJKSA-N 1 0 347.499 4.166 50 0 EIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)s1 ZINC000097609992 219040497 /nfs/dbraw/zinc/04/04/97/219040497.db2.gz HWESXJSWQHPAHJ-HNNXBMFYSA-N 1 0 328.441 4.080 50 0 EIAARO CCCOc1ccc(C(=O)OCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000051330955 214088962 /nfs/dbraw/zinc/08/89/62/214088962.db2.gz FWXSOJYBKRVMJS-FXAWDEMLSA-N 1 0 345.483 4.287 50 0 EIAARO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)nc2ccccc12 ZINC000052407561 214127134 /nfs/dbraw/zinc/12/71/34/214127134.db2.gz AVNKNJRJTIYGIU-UHFFFAOYSA-N 1 0 332.451 4.015 50 0 EIAARO COc1ccccc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000054667168 214250067 /nfs/dbraw/zinc/25/00/67/214250067.db2.gz SQZNUIMRHATDTC-LJQANCHMSA-N 1 0 346.858 4.274 50 0 EIAARO c1c2ccccc2oc1C[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000097743202 219053233 /nfs/dbraw/zinc/05/32/33/219053233.db2.gz CXVBLJZFWXYWPI-UHFFFAOYSA-N 1 0 337.423 4.148 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1cccnc1 ZINC000055167768 214283295 /nfs/dbraw/zinc/28/32/95/214283295.db2.gz KUKJKWSYUPUOSY-OAHLLOKOSA-N 1 0 338.430 4.412 50 0 EIAARO CCOc1cc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)ccc1OC ZINC000055211534 214289719 /nfs/dbraw/zinc/28/97/19/214289719.db2.gz ITSQQZSECCPMNG-NRFANRHFSA-N 1 0 334.419 4.077 50 0 EIAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000004679212 210245432 /nfs/dbraw/zinc/24/54/32/210245432.db2.gz FBSLHUOJNWRAAS-UHFFFAOYSA-N 1 0 341.842 4.462 50 0 EIAARO COc1ccc(-c2c[nH+]c(NCc3cccc(Cl)c3)n2C)cc1 ZINC000004678360 210245314 /nfs/dbraw/zinc/24/53/14/210245314.db2.gz RMZPJLGYMJQMEQ-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO COc1ccc(CNc2[nH+]cc(-c3cccc(Cl)c3)n2C)cc1 ZINC000004678707 210244110 /nfs/dbraw/zinc/24/41/10/210244110.db2.gz OMVYICJJWAKEBY-UHFFFAOYSA-N 1 0 327.815 4.361 50 0 EIAARO CCOc1ccccc1CNc1[nH+]cc(-c2ccc(OC)cc2)n1C ZINC000004678565 210243732 /nfs/dbraw/zinc/24/37/32/210243732.db2.gz BPBRQTSLTYFPOJ-UHFFFAOYSA-N 1 0 337.423 4.107 50 0 EIAARO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000058345330 214556978 /nfs/dbraw/zinc/55/69/78/214556978.db2.gz VLOQQAOSZMHKHR-DNVCBOLYSA-N 1 0 342.870 4.182 50 0 EIAARO O=C(/C=C\c1c(F)cccc1F)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000098042596 219073875 /nfs/dbraw/zinc/07/38/75/219073875.db2.gz NGACACGWZADGAL-KTKRTIGZSA-N 1 0 342.389 4.213 50 0 EIAARO CC1(C)CC(NC(=S)Nc2ccc(F)c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000004506742 210208048 /nfs/dbraw/zinc/20/80/48/210208048.db2.gz UCWHVPCJJWTGEL-UHFFFAOYSA-N 1 0 343.899 4.075 50 0 EIAARO O=C(CCCC[NH+]1CCCCC1)Nc1nc(-c2ccccc2)cs1 ZINC000004481723 210199635 /nfs/dbraw/zinc/19/96/35/210199635.db2.gz QDMASDCGDWIHML-UHFFFAOYSA-N 1 0 343.496 4.405 50 0 EIAARO COc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1cccc(C)c1 ZINC000004413619 210189497 /nfs/dbraw/zinc/18/94/97/210189497.db2.gz MISCJTIGQSIFLO-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccccc1C ZINC000004413476 210189309 /nfs/dbraw/zinc/18/93/09/210189309.db2.gz KOSUNHNBXVNULS-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO CC(C)(C)n1cc(C2=CC[N@H+](Cc3cccc4cccnc43)CC2)cn1 ZINC000065373696 214878603 /nfs/dbraw/zinc/87/86/03/214878603.db2.gz LSIIICQQFHITJU-UHFFFAOYSA-N 1 0 346.478 4.476 50 0 EIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3C=C12 ZINC000004028446 210103364 /nfs/dbraw/zinc/10/33/64/210103364.db2.gz MWMPYXXDHZQTTO-VALFRTSSSA-N 1 0 343.511 4.343 50 0 biogenic EIAARO C[C@H]1CCC[N@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C1 ZINC000004024570 210101258 /nfs/dbraw/zinc/10/12/58/210101258.db2.gz RBCKIFIDZCUQEN-OCJCKOLGSA-N 1 0 331.500 4.033 50 0 biogenic EIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cc(C)ccc2C)CC1 ZINC000003588687 210058764 /nfs/dbraw/zinc/05/87/64/210058764.db2.gz SRULDYRJEJNPKU-UHFFFAOYSA-N 1 0 333.545 4.197 50 0 EIAARO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000003443359 210041528 /nfs/dbraw/zinc/04/15/28/210041528.db2.gz PIORCUXBGPFTTR-LJQANCHMSA-N 1 0 326.415 4.382 50 0 EIAARO S=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccccc1Cl ZINC000003336563 210012586 /nfs/dbraw/zinc/01/25/86/210012586.db2.gz RFPSUSUMEUNPRC-HNNXBMFYSA-N 1 0 349.887 4.057 50 0 EIAARO CC(C)c1cc(C2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)[nH]n1 ZINC000067459566 215149321 /nfs/dbraw/zinc/14/93/21/215149321.db2.gz DEPZWYAHXKHLBP-UHFFFAOYSA-N 1 0 349.482 4.098 50 0 EIAARO COc1ccc(Oc2cccc(C(C)=O)c2)cc1C[NH+]1CCCC1 ZINC000067491153 215154651 /nfs/dbraw/zinc/15/46/51/215154651.db2.gz OSXUMGFHKHQBTI-UHFFFAOYSA-N 1 0 325.408 4.286 50 0 EIAARO COc1ccccc1-c1ccc(Oc2ccccc2C[NH+](C)C)nn1 ZINC000067754942 215202878 /nfs/dbraw/zinc/20/28/78/215202878.db2.gz UCVOPYBMFIDPLA-UHFFFAOYSA-N 1 0 335.407 4.006 50 0 EIAARO Cc1cccc([N+]2=C3CCCCCN3[C@@](O)(c3cccs3)C2)c1C ZINC000002974519 209948243 /nfs/dbraw/zinc/94/82/43/209948243.db2.gz GJLQMYFXFJNQSK-FQEVSTJZSA-N 1 0 341.500 4.015 50 0 EIAARO Fc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1F ZINC000104276696 219368835 /nfs/dbraw/zinc/36/88/35/219368835.db2.gz PAVUUPCGSDKDRN-VQTJNVASSA-N 1 0 334.454 4.194 50 0 EIAARO CC[C@@H](C)C[N@@H+]1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000039364618 213234881 /nfs/dbraw/zinc/23/48/81/213234881.db2.gz ZFTDCRKCBQHVNS-DYESRHJHSA-N 1 0 339.479 4.203 50 0 EIAARO c1ccc(-c2nnc(OCC[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000000532384 209651504 /nfs/dbraw/zinc/65/15/04/209651504.db2.gz CVPQOTLXDNZNLW-UHFFFAOYSA-N 1 0 333.435 4.162 50 0 EIAARO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000036347911 213085822 /nfs/dbraw/zinc/08/58/22/213085822.db2.gz MOCTZIFGGDZGNT-QFIPXVFZSA-N 1 0 332.447 4.492 50 0 EIAARO CC(C)CC[N@@H+](Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000036096343 213062519 /nfs/dbraw/zinc/06/25/19/213062519.db2.gz YUSNATYSGRQYJC-FQEVSTJZSA-N 1 0 329.459 4.277 50 0 EIAARO Fc1ccc(CC[C@H]2CCC[N@H+](CCc3ccccn3)C2)c(F)c1 ZINC000072147552 216035155 /nfs/dbraw/zinc/03/51/55/216035155.db2.gz SDBDWWBTUOMLDZ-MRXNPFEDSA-N 1 0 330.422 4.247 50 0 EIAARO CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000072154047 216043887 /nfs/dbraw/zinc/04/38/87/216043887.db2.gz KYMPGWRPEMQCSI-UHFFFAOYSA-N 1 0 344.458 4.358 50 0 EIAARO FC(F)(F)c1cccc(OC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000072435695 216230484 /nfs/dbraw/zinc/23/04/84/216230484.db2.gz RSFMJQAOUXCDTP-UHFFFAOYSA-N 1 0 336.357 4.144 50 0 EIAARO c1ccc(OC2CCCC2)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000023372924 212371809 /nfs/dbraw/zinc/37/18/09/212371809.db2.gz POEKYZFOASKQSP-IBGZPJMESA-N 1 0 328.500 4.068 50 0 EIAARO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)[C@H]1CCc2ccccc21 ZINC000023146090 212355277 /nfs/dbraw/zinc/35/52/77/212355277.db2.gz HMRWABYNFASQFP-SFHVURJKSA-N 1 0 328.843 4.288 50 0 EIAARO COc1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)c(OC)c1OC ZINC000022784037 212323081 /nfs/dbraw/zinc/32/30/81/212323081.db2.gz QREAIZIULFBXTR-GFCCVEGCSA-N 1 0 335.831 4.217 50 0 EIAARO COc1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000022784011 212323114 /nfs/dbraw/zinc/32/31/14/212323114.db2.gz XZFXESHTISZFJJ-LBPRGKRZSA-N 1 0 335.831 4.217 50 0 EIAARO Clc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000022877253 212331947 /nfs/dbraw/zinc/33/19/47/212331947.db2.gz OADCBMJTFBFQAR-INIZCTEOSA-N 1 0 335.278 4.358 50 0 EIAARO CC(C)[NH+](CCNC(=O)c1ccc(-c2ccccc2Cl)o1)C(C)C ZINC000022623191 212312207 /nfs/dbraw/zinc/31/22/07/212312207.db2.gz VHWSRUPTDZTMHT-UHFFFAOYSA-N 1 0 348.874 4.449 50 0 EIAARO CN(C)[C@@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccco1 ZINC000022095731 212276621 /nfs/dbraw/zinc/27/66/21/212276621.db2.gz HFYKODGJMWLBCR-KRWDZBQOSA-N 1 0 328.387 4.071 50 0 EIAARO CCn1ccc2c1cccc2C[N@@H+](Cc1ccccn1)C[C@H]1CCCO1 ZINC000215238553 241114176 /nfs/dbraw/zinc/11/41/76/241114176.db2.gz FATJBTJXIBCIOC-HXUWFJFHSA-N 1 0 349.478 4.237 50 0 EIAARO CCOCc1cc(C[NH+]2CCC(c3ccncc3)CC2)ccc1OC ZINC000215242212 241115203 /nfs/dbraw/zinc/11/52/03/241115203.db2.gz KCTKUKISKAWNCQ-UHFFFAOYSA-N 1 0 340.467 4.006 50 0 EIAARO C[C@H](CCN(C)Cc1nc(-c2ccc(F)cc2)cs1)[NH+]1CCCC1 ZINC000219408748 241385634 /nfs/dbraw/zinc/38/56/34/241385634.db2.gz OOMOOYMHEPGZGX-OAHLLOKOSA-N 1 0 347.503 4.255 50 0 EIAARO Cc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000021793098 212250858 /nfs/dbraw/zinc/25/08/58/212250858.db2.gz BFKMFCLYFYDDMF-QHCPKHFHSA-N 1 0 348.490 4.464 50 0 EIAARO CCc1onc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1 ZINC000021720801 212244602 /nfs/dbraw/zinc/24/46/02/212244602.db2.gz YDBWRMBGTGSBFL-QGZVFWFLSA-N 1 0 336.439 4.273 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718168 212242945 /nfs/dbraw/zinc/24/29/45/212242945.db2.gz WUDUMBMRFGJOQH-ROUUACIJSA-N 1 0 343.515 4.217 50 0 EIAARO Cc1ccc(C)c(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1 ZINC000021718079 212242530 /nfs/dbraw/zinc/24/25/30/212242530.db2.gz UTYMUKQMWWYUNS-UHFFFAOYSA-N 1 0 343.515 4.279 50 0 EIAARO CCCOc1ccc(C(=O)OCC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000226328492 242098827 /nfs/dbraw/zinc/09/88/27/242098827.db2.gz FWXSOJYBKRVMJS-XLIONFOSSA-N 1 0 345.483 4.287 50 0 EIAARO Cc1cc2cc(C[NH2+]C[C@]3(c4cccc(F)c4)CCOC3)ccc2[nH]1 ZINC000020997865 212196833 /nfs/dbraw/zinc/19/68/33/212196833.db2.gz NPWZAWNPIMGBGP-OAQYLSRUSA-N 1 0 338.426 4.063 50 0 EIAARO Clc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCCc3cccnc3)nc2c1 ZINC000244712669 243062878 /nfs/dbraw/zinc/06/28/78/243062878.db2.gz KUAWBDIMAVFXOI-SFHVURJKSA-N 1 0 340.858 4.381 50 0 EIAARO Cc1cc(C)nc(C[N@@H+](C)CCC(=O)Nc2ccccc2C(C)C)c1 ZINC000244884135 243096664 /nfs/dbraw/zinc/09/66/64/243096664.db2.gz YGBGLFVDBBVXTK-UHFFFAOYSA-N 1 0 339.483 4.282 50 0 EIAARO FC(F)(F)c1ccc(-c2noc(CCC[NH+]3CCCCC3)n2)cc1 ZINC000020455593 212132029 /nfs/dbraw/zinc/13/20/29/212132029.db2.gz WOEPEEHHLLXOPK-UHFFFAOYSA-N 1 0 339.361 4.174 50 0 EIAARO CCOc1cccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)c1 ZINC000020406986 212125815 /nfs/dbraw/zinc/12/58/15/212125815.db2.gz HSROPUUNMBYMID-OAHLLOKOSA-N 1 0 348.450 4.097 50 0 EIAARO O[C@H](C[NH2+]Cc1ccc(OCc2cccs2)cc1)c1ccccc1 ZINC000020018553 212093229 /nfs/dbraw/zinc/09/32/29/212093229.db2.gz KJAXDZIHVZMEGA-HXUWFJFHSA-N 1 0 339.460 4.150 50 0 EIAARO Clc1ccc(CN2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000019831764 212072724 /nfs/dbraw/zinc/07/27/24/212072724.db2.gz SAENLZONYFOWOQ-UHFFFAOYSA-N 1 0 328.887 4.090 50 0 EIAARO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)cc1 ZINC000019831473 212072861 /nfs/dbraw/zinc/07/28/61/212072861.db2.gz QFCGWLJBZVPFGG-GOSISDBHSA-N 1 0 336.479 4.084 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)ccc1F ZINC000019837852 212074537 /nfs/dbraw/zinc/07/45/37/212074537.db2.gz QCZPOJIWCIMVMD-MRXNPFEDSA-N 1 0 345.462 4.136 50 0 EIAARO Cc1ccc(C)c(C[NH+]2CC(c3nc(-c4cccs4)no3)C2)c1 ZINC000049484679 214012919 /nfs/dbraw/zinc/01/29/19/214012919.db2.gz JXWKJCFMGIOATQ-UHFFFAOYSA-N 1 0 325.437 4.014 50 0 EIAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)Nc1ccc(F)cc1F ZINC000013325220 211545742 /nfs/dbraw/zinc/54/57/42/211545742.db2.gz JCTHLIMBZKWLHG-UHFFFAOYSA-N 1 0 331.366 4.205 50 0 EIAARO Cc1cc(C)cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000013000372 211506281 /nfs/dbraw/zinc/50/62/81/211506281.db2.gz MBNDXGVMZAVQLQ-UHFFFAOYSA-N 1 0 336.479 4.219 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Cl ZINC000013000590 211506335 /nfs/dbraw/zinc/50/63/35/211506335.db2.gz OMEKHCRSICFMMX-UHFFFAOYSA-N 1 0 342.870 4.256 50 0 EIAARO COC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(Cl)cc2)oc1C ZINC000012456567 211385739 /nfs/dbraw/zinc/38/57/39/211385739.db2.gz SYQVQGJKXXBCHP-INIZCTEOSA-N 1 0 334.847 4.304 50 0 EIAARO O=C(c1cccc2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC000012386256 211364092 /nfs/dbraw/zinc/36/40/92/211364092.db2.gz PHMVNGYXFHPMRA-QHCPKHFHSA-N 1 0 348.490 4.178 50 0 EIAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000012303495 211338441 /nfs/dbraw/zinc/33/84/41/211338441.db2.gz LITNMXPYSJKYTE-SFHVURJKSA-N 1 0 349.474 4.012 50 0 EIAARO CC(C)=CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2 ZINC000012202420 211319860 /nfs/dbraw/zinc/31/98/60/211319860.db2.gz CDOGWAOIKGSAAG-FQEVSTJZSA-N 1 0 334.454 4.219 50 0 EIAARO CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(OC)c3)cc2)C1 ZINC000011760089 211245222 /nfs/dbraw/zinc/24/52/22/211245222.db2.gz CACIEFVDIKKESN-GOSISDBHSA-N 1 0 338.451 4.033 50 0 EIAARO Clc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccccc1 ZINC000010474488 211175445 /nfs/dbraw/zinc/17/54/45/211175445.db2.gz GNJQWXAOXNEYHM-QGZVFWFLSA-N 1 0 331.843 4.188 50 0 EIAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)C2CC2)cc1 ZINC000010351410 211167651 /nfs/dbraw/zinc/16/76/51/211167651.db2.gz YKBYCKPRRQPDIL-SCLBCKFNSA-N 1 0 344.405 4.341 50 0 EIAARO CCc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063469 211036989 /nfs/dbraw/zinc/03/69/89/211036989.db2.gz QFBIZUUHOXSCKT-UHFFFAOYSA-N 1 0 340.442 4.239 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)c1cncc(F)c1 ZINC000095420538 218362334 /nfs/dbraw/zinc/36/23/34/218362334.db2.gz XQJUMIBBFKFDMW-HNNXBMFYSA-N 1 0 337.398 4.046 50 0 EIAARO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1F ZINC000095422042 218363928 /nfs/dbraw/zinc/36/39/28/218363928.db2.gz FNBUPEJHUUWKNZ-JBEBIEQOSA-N 1 0 349.471 4.201 50 0 EIAARO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000006586286 210660058 /nfs/dbraw/zinc/66/00/58/210660058.db2.gz GGOGYURSJVAMOY-YLJYHZDGSA-N 1 0 336.479 4.061 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2csc3c2CCCCC3)C1 ZINC000005070447 210383893 /nfs/dbraw/zinc/38/38/93/210383893.db2.gz PEGBPTHNDSZBQP-HZPDHXFCSA-N 1 0 348.556 4.115 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2csc3c2CCCCC3)C1 ZINC000005070444 210383170 /nfs/dbraw/zinc/38/31/70/210383170.db2.gz PEGBPTHNDSZBQP-IYBDPMFKSA-N 1 0 348.556 4.115 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2csc3c2CCCCC3)C1 ZINC000005070445 210382789 /nfs/dbraw/zinc/38/27/89/210382789.db2.gz PEGBPTHNDSZBQP-HOTGVXAUSA-N 1 0 348.556 4.115 50 0 EIAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccccc1F ZINC000005019452 210363335 /nfs/dbraw/zinc/36/33/35/210363335.db2.gz BHKIQMVEUSGSBK-UHFFFAOYSA-N 1 0 341.382 4.296 50 0 EIAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1ccc(C)cc1 ZINC000004997703 210354128 /nfs/dbraw/zinc/35/41/28/210354128.db2.gz ULRPEPWOFGDNMO-UHFFFAOYSA-N 1 0 336.483 4.299 50 0 EIAARO CCCCCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)cc1 ZINC000004988010 210351568 /nfs/dbraw/zinc/35/15/68/210351568.db2.gz BDDGVQWUFQGKSV-LJQANCHMSA-N 1 0 347.499 4.421 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOCCOc2cccc3ccccc32)C1 ZINC000004907332 210319039 /nfs/dbraw/zinc/31/90/39/210319039.db2.gz WRHRLSUFTVSSCS-QZTJIDSGSA-N 1 0 327.468 4.213 50 0 EIAARO COc1ccccc1[C@H](C(=O)c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000004899093 210315482 /nfs/dbraw/zinc/31/54/82/210315482.db2.gz MQNXBEOUQSAJES-CTNGQTDRSA-N 1 0 335.447 4.004 50 0 EIAARO COc1cc2c(cc1OC)C[N@H+](Cc1cccc3ccccc31)CC2 ZINC000004834210 210291948 /nfs/dbraw/zinc/29/19/48/210291948.db2.gz BBCSRHLFAPAGES-UHFFFAOYSA-N 1 0 333.431 4.415 50 0 EIAARO COCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)o1 ZINC000097494370 219029306 /nfs/dbraw/zinc/02/93/06/219029306.db2.gz DDZVNOFMNMFSMI-HNNXBMFYSA-N 1 0 342.439 4.053 50 0 EIAARO C[NH+](C)Cc1ccccc1[C@@]1(c2ccccc2)OC(=O)c2ccccc21 ZINC000004760187 210272158 /nfs/dbraw/zinc/27/21/58/210272158.db2.gz OCTZKNCAOSCYOX-HSZRJFAPSA-N 1 0 343.426 4.211 50 0 EIAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(CC(C)C)cc3)[C@H]2C1 ZINC000426470920 257967672 /nfs/dbraw/zinc/96/76/72/257967672.db2.gz VIGBRTUBYXJZNT-PCCBWWKXSA-N 1 0 331.500 4.044 50 0 EIAARO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000245304967 258000412 /nfs/dbraw/zinc/00/04/12/258000412.db2.gz HIPXPRGUIYLXAL-LZQZEXGQSA-N 1 0 341.524 4.021 50 0 EIAARO COc1ccccc1N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000055543181 132195653 /nfs/dbraw/zinc/19/56/53/132195653.db2.gz ZVCCTVBBESRSAT-UHFFFAOYSA-N 1 0 332.447 4.171 50 0 EIAARO FC(F)(F)c1cccc(N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000055544042 132196001 /nfs/dbraw/zinc/19/60/01/132196001.db2.gz CLONYBRQIBZCAX-UHFFFAOYSA-N 1 0 326.387 4.089 50 0 EIAARO COC[C@H](C)[NH2+]C1CCN(c2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000019228504 135714186 /nfs/dbraw/zinc/71/41/86/135714186.db2.gz NHMFMOKLGNLTTJ-SFHVURJKSA-N 1 0 338.495 4.255 50 0 EIAARO CC[N@@H+]1CCC[C@@H]1CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000025540732 521641416 /nfs/dbraw/zinc/64/14/16/521641416.db2.gz WFEAESYTNBDHJA-MRXNPFEDSA-N 1 0 335.904 4.037 50 0 EIAARO Cc1noc(C)c1CC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000281261526 526498052 /nfs/dbraw/zinc/49/80/52/526498052.db2.gz OPLXXFDZBWFQAC-LLVKDONJSA-N 1 0 326.362 4.074 50 0 EIAARO CCC[C@H](C)[NH2+]C1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 ZINC000063855970 535652978 /nfs/dbraw/zinc/65/29/78/535652978.db2.gz GESVFJUFKRFAAI-INIZCTEOSA-N 1 0 338.499 4.199 50 0 EIAARO CNC(=O)[C@H]1CC[N@H+](Cc2cccc(-c3ccc4ccccc4c3)c2)C1 ZINC000216161543 536394680 /nfs/dbraw/zinc/39/46/80/536394680.db2.gz YATDHYZBTICSOR-QFIPXVFZSA-N 1 0 344.458 4.075 50 0 EIAARO CN(Cc1cc(F)cc(F)c1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216338563 536458967 /nfs/dbraw/zinc/45/89/67/536458967.db2.gz MJFHPNQVFMUHMV-UHFFFAOYSA-N 1 0 330.422 4.193 50 0 EIAARO CO[C@@H]1CC[N@H+](Cc2cccc(OCc3c(F)cccc3Cl)c2)C1 ZINC000215088013 536688177 /nfs/dbraw/zinc/68/81/77/536688177.db2.gz LUCZTZXMPHRMHA-MRXNPFEDSA-N 1 0 349.833 4.279 50 0 EIAARO O=c1oc2ccccc2c(NCc2ccccc2)c1C[NH+]1CCCCC1 ZINC000000191036 563256670 /nfs/dbraw/zinc/25/66/70/563256670.db2.gz IIJZJENXWARXBH-UHFFFAOYSA-N 1 0 348.446 4.391 50 0 EIAARO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000000568303 563348110 /nfs/dbraw/zinc/34/81/10/563348110.db2.gz OALAYVJAJIKZEI-UHFFFAOYSA-N 1 0 346.858 4.443 50 0 EIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000002514912 563435636 /nfs/dbraw/zinc/43/56/36/563435636.db2.gz DRGQOBWSGTUXAQ-UHFFFAOYSA-N 1 0 331.337 4.308 50 0 EIAARO O=C(c1cccc(C[NH+]2CCCCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000002515037 563435823 /nfs/dbraw/zinc/43/58/23/563435823.db2.gz VWWZMUSYYPHNGY-UHFFFAOYSA-N 1 0 333.353 4.321 50 0 EIAARO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034682619 563450522 /nfs/dbraw/zinc/45/05/22/563450522.db2.gz SNTLIXHAPKDWCC-UHFFFAOYSA-N 1 0 346.471 4.295 50 0 EIAARO CC(C)C[NH+](CC(C)C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000002988714 563467593 /nfs/dbraw/zinc/46/75/93/563467593.db2.gz BEDDGJVDIQPLEL-LJQANCHMSA-N 1 0 335.532 4.338 50 0 EIAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000003683590 563487490 /nfs/dbraw/zinc/48/74/90/563487490.db2.gz PZMZTAGLRGIETO-KRWDZBQOSA-N 1 0 328.887 4.483 50 0 EIAARO OCC[N@@H+](Cc1ccccc1)CC(c1ccccc1)c1ccccc1 ZINC000005649958 563544112 /nfs/dbraw/zinc/54/41/12/563544112.db2.gz OXCJCYAXLRPQRW-UHFFFAOYSA-N 1 0 331.459 4.313 50 0 EIAARO C[C@@H]([NH2+]CCCCc1ccccc1)[C@H](O)c1ccc2c(c1)CCS2 ZINC000006036932 563557671 /nfs/dbraw/zinc/55/76/71/563557671.db2.gz FJLRGFADCXTJNV-IERDGZPVSA-N 1 0 341.520 4.369 50 0 in-man EIAARO CCOC(=O)C1CC[NH+](CCCCOc2cccc(C(C)C)c2)CC1 ZINC000006728861 563583102 /nfs/dbraw/zinc/58/31/02/563583102.db2.gz CTVGISVKHAFGNL-UHFFFAOYSA-N 1 0 347.499 4.244 50 0 EIAARO O=C(Nc1ccc(F)cc1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006731023 563583946 /nfs/dbraw/zinc/58/39/46/563583946.db2.gz NFMTUIFQPLPMEC-UHFFFAOYSA-N 1 0 327.403 4.456 50 0 EIAARO Cc1cccc(C)c1NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000071911716 563586341 /nfs/dbraw/zinc/58/63/41/563586341.db2.gz IGPYNVWOPXOSNE-OALUTQOASA-N 1 0 343.515 4.422 50 0 EIAARO CC(C)[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CS1 ZINC000331380854 563586685 /nfs/dbraw/zinc/58/66/85/563586685.db2.gz IQQKRJCOWHHCOJ-SQNIBIBYSA-N 1 0 347.528 4.128 50 0 EIAARO CSc1ccc(CN2CCC([NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000002734446 563609814 /nfs/dbraw/zinc/60/98/14/563609814.db2.gz JAJAPLOTFAAULU-IAGOWNOFSA-N 1 0 332.557 4.351 50 0 EIAARO OCC1(CCCc2ccccc2)CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012704720 563667980 /nfs/dbraw/zinc/66/79/80/563667980.db2.gz WYVZAELABXEAFX-UHFFFAOYSA-N 1 0 349.518 4.251 50 0 EIAARO C[NH+](C)C[C@@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000032781222 563733556 /nfs/dbraw/zinc/73/35/56/563733556.db2.gz OKWISOZSPZFHOC-MRXNPFEDSA-N 1 0 337.250 4.026 50 0 EIAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2cccnc21 ZINC000014168323 563746622 /nfs/dbraw/zinc/74/66/22/563746622.db2.gz IKUKCVKXRYOODN-UHFFFAOYSA-N 1 0 331.419 4.083 50 0 EIAARO CC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000014951107 563767593 /nfs/dbraw/zinc/76/75/93/563767593.db2.gz FFDIOOXVYXYKMI-HNNXBMFYSA-N 1 0 333.435 4.234 50 0 EIAARO C/C=C(\C)C[NH+]1CCC(CCC(=O)NCc2cccc(Cl)c2)CC1 ZINC000014976272 563769482 /nfs/dbraw/zinc/76/94/82/563769482.db2.gz KQOIMNOUVPBQSV-HQYXKAPLSA-N 1 0 348.918 4.415 50 0 EIAARO C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000032891642 563782389 /nfs/dbraw/zinc/78/23/89/563782389.db2.gz RNOFQRQPPNFYDG-HNNXBMFYSA-N 1 0 349.434 4.383 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000032903431 563789185 /nfs/dbraw/zinc/78/91/85/563789185.db2.gz WJROYKTVQGJCMD-OAQYLSRUSA-N 1 0 347.462 4.048 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)[NH+]2CCCCC2)o1 ZINC000015860164 563796526 /nfs/dbraw/zinc/79/65/26/563796526.db2.gz RUYUWYGAUKAFSA-KRWDZBQOSA-N 1 0 346.858 4.198 50 0 EIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1cccs1 ZINC000015866876 563797930 /nfs/dbraw/zinc/79/79/30/563797930.db2.gz BLPSKGPHWJIHQP-CQSZACIVSA-N 1 0 328.441 4.080 50 0 EIAARO Clc1ccc(COc2cccc(C[NH2+]C[C@@H]3CCCO3)c2)cc1 ZINC000016399542 563810512 /nfs/dbraw/zinc/81/05/12/563810512.db2.gz MAHCHKDKEKHBON-IBGZPJMESA-N 1 0 331.843 4.188 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000016599340 563815803 /nfs/dbraw/zinc/81/58/03/563815803.db2.gz LOEHGLINQRDGFM-INIZCTEOSA-N 1 0 337.250 4.026 50 0 EIAARO Cc1cccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)c1 ZINC000016606841 563817367 /nfs/dbraw/zinc/81/73/67/563817367.db2.gz KFNRXDQDHWCUMT-UHFFFAOYSA-N 1 0 328.500 4.046 50 0 EIAARO CCCCc1ccc(NC(=S)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000017068704 563832765 /nfs/dbraw/zinc/83/27/65/563832765.db2.gz FAAKHTWGHVVAEV-UHFFFAOYSA-N 1 0 333.545 4.188 50 0 EIAARO C[NH+](C)C[C@@H](NC(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000022893313 563865310 /nfs/dbraw/zinc/86/53/10/563865310.db2.gz YUFQADXUXOUBQX-HXUWFJFHSA-N 1 0 333.435 4.264 50 0 EIAARO COc1ccc([C@H]2CCC[N@@H+]2Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000024105941 563869262 /nfs/dbraw/zinc/86/92/62/563869262.db2.gz JBDQMLOBLKXCKT-HXUWFJFHSA-N 1 0 335.451 4.456 50 0 EIAARO c1csc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000026304419 563890746 /nfs/dbraw/zinc/89/07/46/563890746.db2.gz VMXYTJJYDADBRH-UHFFFAOYSA-N 1 0 346.459 4.286 50 0 EIAARO Fc1ccccc1-c1ccc(C[NH2+]C[C@H]2COc3ccccc3O2)o1 ZINC000026305199 563890831 /nfs/dbraw/zinc/89/08/31/563890831.db2.gz RVNZBNCTDVTDCG-HNNXBMFYSA-N 1 0 339.366 4.015 50 0 EIAARO Cc1c(O)ccc2c(C[N@@H+](C)[C@H](C)c3cccs3)cc(=O)oc12 ZINC000027554848 563896634 /nfs/dbraw/zinc/89/66/34/563896634.db2.gz GFDIADMBAODXEO-GFCCVEGCSA-N 1 0 329.421 4.062 50 0 EIAARO C[N@H+](Cc1ccc2ccccc2c1)Cc1cc(F)cc2c1OCOC2 ZINC000027536679 563896683 /nfs/dbraw/zinc/89/66/83/563896683.db2.gz BKWOYIJIIWMZGM-UHFFFAOYSA-N 1 0 337.394 4.477 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2C)[NH+]2CCCCC2)cc1 ZINC000027581872 563897200 /nfs/dbraw/zinc/89/72/00/563897200.db2.gz XYLNAHVWRMFSGL-OAQYLSRUSA-N 1 0 336.479 4.260 50 0 EIAARO Cc1cccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027662751 563898333 /nfs/dbraw/zinc/89/83/33/563898333.db2.gz QWZDJENVETUJRV-GOSISDBHSA-N 1 0 342.508 4.404 50 0 EIAARO CCc1ccc([C@@H](CNC(=O)c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000028293169 563902238 /nfs/dbraw/zinc/90/22/38/563902238.db2.gz CEEUMIPRIZIOFK-OAQYLSRUSA-N 1 0 336.479 4.124 50 0 EIAARO C[C@H]1c2cccn2CC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000028889434 563904438 /nfs/dbraw/zinc/90/44/38/563904438.db2.gz IESFBCAGSXPKFT-INIZCTEOSA-N 1 0 333.435 4.047 50 0 EIAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1Cl ZINC000029482564 563906500 /nfs/dbraw/zinc/90/65/00/563906500.db2.gz NNRIVKBJEVNGQY-GOSISDBHSA-N 1 0 328.843 4.206 50 0 EIAARO C[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCc2ccccc21 ZINC000029482271 563906577 /nfs/dbraw/zinc/90/65/77/563906577.db2.gz VHGYWYZOMPSGHF-KRWDZBQOSA-N 1 0 348.368 4.263 50 0 EIAARO Cc1ccc(C(C)(C)C[C@H](C)[NH+]2CCN(Cc3ccccc3)CC2)o1 ZINC000022077785 563918437 /nfs/dbraw/zinc/91/84/37/563918437.db2.gz IEHBINBFDIKIOP-SFHVURJKSA-N 1 0 340.511 4.462 50 0 EIAARO C[C@H](Cc1ccccc1F)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455339 563918608 /nfs/dbraw/zinc/91/86/08/563918608.db2.gz PQEUZROJYNBAQX-QPGLYAHGSA-N 1 0 338.470 4.088 50 0 EIAARO COc1ccc(OC)c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000004986086 563919045 /nfs/dbraw/zinc/91/90/45/563919045.db2.gz SSAPKQKZXANFET-UHFFFAOYSA-N 1 0 327.399 4.132 50 0 EIAARO CC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000042774775 563924935 /nfs/dbraw/zinc/92/49/35/563924935.db2.gz AZTDGAHIXDHVIX-GFCCVEGCSA-N 1 0 326.278 4.125 50 0 EIAARO Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)o1 ZINC000057980100 563936200 /nfs/dbraw/zinc/93/62/00/563936200.db2.gz KKRGQDGJQBEACO-UHFFFAOYSA-N 1 0 344.418 4.126 50 0 EIAARO COc1ccccc1[C@H]1CC[N@H+](Cc2nnc(-c3cccc(C)c3)o2)C1 ZINC000096469701 563954491 /nfs/dbraw/zinc/95/44/91/563954491.db2.gz ACFBIROFTOCISF-KRWDZBQOSA-N 1 0 349.434 4.043 50 0 EIAARO C[NH+](C)Cc1cc(NCc2csc3ccc(Cl)cc23)ncn1 ZINC000063869270 563956309 /nfs/dbraw/zinc/95/63/09/563956309.db2.gz MIBDDXCPRYGLNB-UHFFFAOYSA-N 1 0 332.860 4.018 50 0 EIAARO CC(C)c1noc([C@H](C)[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000065393888 563959522 /nfs/dbraw/zinc/95/95/22/563959522.db2.gz LXCQIVKQRWYIIY-RYUDHWBXSA-N 1 0 341.377 4.494 50 0 EIAARO Cc1[nH]cnc1-c1nccn1C[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000071385592 563964245 /nfs/dbraw/zinc/96/42/45/563964245.db2.gz OHIKKRXBPHIYAU-IBGZPJMESA-N 1 0 349.482 4.199 50 0 EIAARO Cc1c2cc(C)cc(CNC(=O)[C@@H](C)[NH+](C)C)c2[nH]c1-c1ccccc1 ZINC000071735826 563964852 /nfs/dbraw/zinc/96/48/52/563964852.db2.gz LUYNWRUAOGWKPA-MRXNPFEDSA-N 1 0 349.478 4.018 50 0 EIAARO FC(F)(F)c1cccc(C[NH+]2CCC(CCn3cccn3)CC2)c1 ZINC000077485049 563969921 /nfs/dbraw/zinc/96/99/21/563969921.db2.gz VMKRLBVAXNUJHE-UHFFFAOYSA-N 1 0 337.389 4.204 50 0 EIAARO CC(C)N(C)c1cccc(NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000097371301 563973432 /nfs/dbraw/zinc/97/34/32/563973432.db2.gz UAOKGSGNJXWOEX-UHFFFAOYSA-N 1 0 338.499 4.003 50 0 EIAARO CC(C)[C@@]1(CC[NH2+]Cc2cccc3c2OCO3)CCOC(C)(C)C1 ZINC000004770737 563973973 /nfs/dbraw/zinc/97/39/73/563973973.db2.gz VUVAWWRENAFGRX-FQEVSTJZSA-N 1 0 333.472 4.126 50 0 EIAARO Cc1ccc([C@H](C)CC[N@H+](C)Cc2cc(-c3ccccn3)no2)o1 ZINC000097532833 563981654 /nfs/dbraw/zinc/98/16/54/563981654.db2.gz SANAOGHYEPKGAR-CQSZACIVSA-N 1 0 325.412 4.264 50 0 EIAARO COC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000000144069 563987156 /nfs/dbraw/zinc/98/71/56/563987156.db2.gz NVICAXRWBNEKMT-UHFFFAOYSA-N 1 0 335.407 4.139 50 0 EIAARO c1c(-c2ccccc2)n(CCC[NH+]2CCCC2)c2nc3ccccc3n12 ZINC000000274338 563990123 /nfs/dbraw/zinc/99/01/23/563990123.db2.gz LDIWVFCNNNPNON-UHFFFAOYSA-N 1 0 344.462 4.442 50 0 EIAARO C[C@@H]1CCCC[C@H]1OCC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000248038928 563995059 /nfs/dbraw/zinc/99/50/59/563995059.db2.gz UJBUNJBNRVMAAW-ZHALLVOQSA-N 1 0 337.529 4.324 50 0 EIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000252438243 563997596 /nfs/dbraw/zinc/99/75/96/563997596.db2.gz JTFAPYUEBOLXAA-XGAGZNTDSA-N 1 0 333.516 4.176 50 0 EIAARO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NCc3nnc(C(C)(C)C)o3)c2C1 ZINC000086205651 564001273 /nfs/dbraw/zinc/00/12/73/564001273.db2.gz OOHAPKSBQZRQOR-CQSZACIVSA-N 1 0 342.487 4.339 50 0 EIAARO COc1ccccc1-c1c(C)nn2c1nc(C)cc2Nc1cc[nH+]cc1 ZINC000005345956 564002925 /nfs/dbraw/zinc/00/29/25/564002925.db2.gz ANPRQJJSFFKKGC-UHFFFAOYSA-N 1 0 345.406 4.160 50 0 EIAARO CC[NH+](CC)c1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000005695283 564019140 /nfs/dbraw/zinc/01/91/40/564019140.db2.gz HTRCNZTXOXOIKL-MRXNPFEDSA-N 1 0 325.456 4.280 50 0 EIAARO COc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1Cl ZINC000005698936 564019304 /nfs/dbraw/zinc/01/93/04/564019304.db2.gz GTKAIZJKINJBJB-CVEARBPZSA-N 1 0 347.817 4.016 50 0 EIAARO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000046814930 564025451 /nfs/dbraw/zinc/02/54/51/564025451.db2.gz ODPRBYFTWRVFIT-HZPDHXFCSA-N 1 0 333.435 4.221 50 0 EIAARO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000107142110 564026818 /nfs/dbraw/zinc/02/68/18/564026818.db2.gz QLPZJFPABJLGHL-IOASZLSFSA-N 1 0 342.405 4.003 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000107323614 564026847 /nfs/dbraw/zinc/02/68/47/564026847.db2.gz MWHDVVCKIVHBEU-LBTNJELSSA-N 1 0 334.891 4.028 50 0 EIAARO Cc1noc([C@@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000044585373 564027019 /nfs/dbraw/zinc/02/70/19/564027019.db2.gz MTLXDKGOZYFZRO-RDTXWAMCSA-N 1 0 346.434 4.342 50 0 EIAARO C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1cccc2ccccc21 ZINC000048681907 564032041 /nfs/dbraw/zinc/03/20/41/564032041.db2.gz SOOINOOFOWWROC-MRXNPFEDSA-N 1 0 332.451 4.081 50 0 EIAARO C[NH+](C)[C@H]1CCCN(Cc2ccc(Cl)cc2Br)CC1 ZINC000225442717 564046780 /nfs/dbraw/zinc/04/67/80/564046780.db2.gz UXJOTBUUEDJGTL-AWEZNQCLSA-N 1 0 345.712 4.019 50 0 EIAARO Cc1cc2c(ncnc2N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000225532999 564047606 /nfs/dbraw/zinc/04/76/06/564047606.db2.gz GIMJXPDIWVJETJ-BBRMVZONSA-N 1 0 326.469 4.103 50 0 EIAARO COC(=O)CC1(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000225636013 564048771 /nfs/dbraw/zinc/04/87/71/564048771.db2.gz GIHBHPMLDRUYDI-KRWDZBQOSA-N 1 0 347.505 4.100 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)C1CCC(C(C)(C)C)CC1)c1ccsc1 ZINC000025330188 564054128 /nfs/dbraw/zinc/05/41/28/564054128.db2.gz ZUQKESBJUAYBAI-PREGVCBESA-N 1 0 336.545 4.320 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2cc(F)ccc2s1)c1ccccc1 ZINC000025421123 564054324 /nfs/dbraw/zinc/05/43/24/564054324.db2.gz ZNMHWYKYSJSLGU-INIZCTEOSA-N 1 0 342.439 4.073 50 0 EIAARO Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c(C)c1 ZINC000025439529 564054359 /nfs/dbraw/zinc/05/43/59/564054359.db2.gz SFWPHDJFEPINOG-FQEVSTJZSA-N 1 0 336.479 4.257 50 0 EIAARO CC1=C(c2ccccc2)[N+](=O)[C@](O)(c2ccccc2)C1c1ccccc1 ZINC000261492282 564056168 /nfs/dbraw/zinc/05/61/68/564056168.db2.gz QHPXZTMZZCZWQJ-QHCPKHFHSA-N 1 0 341.410 4.319 50 0 EIAARO C[NH+](C)Cc1ccc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1 ZINC000083851200 564063834 /nfs/dbraw/zinc/06/38/34/564063834.db2.gz JKJIYFZKJOVJEZ-UHFFFAOYSA-N 1 0 330.431 4.252 50 0 EIAARO Cc1cc(C)n2cc(C[N@@H+](C)Cc3cccc4ccccc43)nc2n1 ZINC000084109994 564066602 /nfs/dbraw/zinc/06/66/02/564066602.db2.gz VUQFPISUOLFJFQ-UHFFFAOYSA-N 1 0 330.435 4.131 50 0 EIAARO O[C@@H](C[N@@H+]1CCC[C@@H]1CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000084528467 564068559 /nfs/dbraw/zinc/06/85/59/564068559.db2.gz YCFGZWFARNPSFM-XLIONFOSSA-N 1 0 331.406 4.095 50 0 EIAARO Cc1ccccc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012775238 564069206 /nfs/dbraw/zinc/06/92/06/564069206.db2.gz MFIKZJSFLIJVHU-SFHVURJKSA-N 1 0 336.479 4.472 50 0 EIAARO c1nc(-c2ncccn2)sc1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000084956073 564070577 /nfs/dbraw/zinc/07/05/77/564070577.db2.gz NNXRQEBDZIDZPB-QGZVFWFLSA-N 1 0 336.464 4.231 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000001460342 564073041 /nfs/dbraw/zinc/07/30/41/564073041.db2.gz GNZAGVVNUOIQBZ-PMACEKPBSA-N 1 0 342.527 4.077 50 0 EIAARO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001473414 564073692 /nfs/dbraw/zinc/07/36/92/564073692.db2.gz KFETYTDHVXYSQF-WFASDCNBSA-N 1 0 340.250 4.084 50 0 EIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(OC)cc(OC)c2)cc1 ZINC000015837010 564076435 /nfs/dbraw/zinc/07/64/35/564076435.db2.gz YLUSHJIZVNEBMG-FQEVSTJZSA-N 1 0 327.424 4.050 50 0 EIAARO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862284 564077010 /nfs/dbraw/zinc/07/70/10/564077010.db2.gz DIMSPAAFKCLDSX-UHFFFAOYSA-N 1 0 330.790 4.365 50 0 EIAARO O=C(CC[N@@H+]1CCC[C@@H]1C1CCCCC1)N1CCc2sccc2C1 ZINC000075120731 564080381 /nfs/dbraw/zinc/08/03/81/564080381.db2.gz GURDXPDLWBUTAI-GOSISDBHSA-N 1 0 346.540 4.068 50 0 EIAARO Cc1cc(C(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)c(C)o1 ZINC000575619449 564083805 /nfs/dbraw/zinc/08/38/05/564083805.db2.gz FOFDORVYADDDAK-KRWDZBQOSA-N 1 0 342.464 4.144 50 0 EIAARO C[N@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1CCCCC1 ZINC000006356968 564085291 /nfs/dbraw/zinc/08/52/91/564085291.db2.gz BSUZRRRWQJRWOS-OAQYLSRUSA-N 1 0 339.479 4.358 50 0 EIAARO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000239539191 564088173 /nfs/dbraw/zinc/08/81/73/564088173.db2.gz AVTOQKCDIIRURG-PMACEKPBSA-N 1 0 343.442 4.019 50 0 EIAARO CC(C)c1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000075572448 564089613 /nfs/dbraw/zinc/08/96/13/564089613.db2.gz HSJFLDDXFWRCJI-KRWDZBQOSA-N 1 0 331.504 4.444 50 0 EIAARO Cc1ncc([C@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)s1 ZINC000089510181 564091123 /nfs/dbraw/zinc/09/11/23/564091123.db2.gz NFZZISLYGRGTSD-JTQLQIEISA-N 1 0 338.860 4.117 50 0 EIAARO O=C(NC[C@@H]1CCC[NH2+]1)c1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000426515785 564093937 /nfs/dbraw/zinc/09/39/37/564093937.db2.gz UPPHYGWSVUFWLZ-AWEZNQCLSA-N 1 0 349.261 4.142 50 0 EIAARO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2ccc3occc3c2)cc1 ZINC000426684482 564094364 /nfs/dbraw/zinc/09/43/64/564094364.db2.gz NASUYZWTZOFIRP-MRXNPFEDSA-N 1 0 348.446 4.124 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COCc1ccco1 ZINC000169679089 564098138 /nfs/dbraw/zinc/09/81/38/564098138.db2.gz SNVSHTKNKJZTEN-UYAOXDASSA-N 1 0 345.483 4.075 50 0 EIAARO COc1ccc([C@H](C)[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000065154923 564102067 /nfs/dbraw/zinc/10/20/67/564102067.db2.gz IYJHQFWHYGSNIN-HNNXBMFYSA-N 1 0 335.451 4.349 50 0 EIAARO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc(-c2cccnc2)no1 ZINC000065286077 564104421 /nfs/dbraw/zinc/10/44/21/564104421.db2.gz GGXRTAQILCOINR-SFHVURJKSA-N 1 0 334.423 4.167 50 0 EIAARO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000065590598 564107894 /nfs/dbraw/zinc/10/78/94/564107894.db2.gz GNZMTZKVOPYDJA-UHFFFAOYSA-N 1 0 325.456 4.077 50 0 EIAARO O=C(NC1CC[NH+](Cc2cccs2)CC1)c1sccc1C1CC1 ZINC000170597148 564109131 /nfs/dbraw/zinc/10/91/31/564109131.db2.gz KSDXZMGMGFRIHO-UHFFFAOYSA-N 1 0 346.521 4.081 50 0 EIAARO C[NH+](C)[C@H](c1nc(-c2ccccc2OCc2ccccc2)no1)C1CC1 ZINC000170602076 564109468 /nfs/dbraw/zinc/10/94/68/564109468.db2.gz MTXTVURALPQYHL-IBGZPJMESA-N 1 0 349.434 4.328 50 0 EIAARO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH2+][C@H]2CCCc3ccccc32)c1C ZINC000007546176 564110330 /nfs/dbraw/zinc/11/03/30/564110330.db2.gz RJVYRMJVTMHWHI-KSSFIOAISA-N 1 0 338.451 4.073 50 0 EIAARO COc1ccc2[nH]cc(C3CC[NH+](Cc4nc(C)c(C)o4)CC3)c2c1 ZINC000071824854 564111305 /nfs/dbraw/zinc/11/13/05/564111305.db2.gz SRPXKDRJGPYQCJ-UHFFFAOYSA-N 1 0 339.439 4.161 50 0 EIAARO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000013323141 564111484 /nfs/dbraw/zinc/11/14/84/564111484.db2.gz KXGBTFHDEVFSQZ-MOPGFXCFSA-N 1 0 338.495 4.448 50 0 EIAARO C[C@@H]([NH2+]CCc1ccccc1Br)c1ccc(Cl)nc1 ZINC000089905005 564115063 /nfs/dbraw/zinc/11/50/63/564115063.db2.gz YIDSOLIPMWGKJL-LLVKDONJSA-N 1 0 339.664 4.391 50 0 EIAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000017112788 564116439 /nfs/dbraw/zinc/11/64/39/564116439.db2.gz FWITUZJSTKONGK-GOSISDBHSA-N 1 0 333.516 4.236 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOCCSc2ccc(Cl)cc2)C1 ZINC000002824023 564117036 /nfs/dbraw/zinc/11/70/36/564117036.db2.gz SFMLQAVQSGBTMM-HUUCEWRRSA-N 1 0 327.921 4.427 50 0 EIAARO C[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237622768 564117779 /nfs/dbraw/zinc/11/77/79/564117779.db2.gz TWCYVCOKCSXSIR-BDJLRTHQSA-N 1 0 337.250 4.261 50 0 EIAARO COc1ccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222552 564119310 /nfs/dbraw/zinc/11/93/10/564119310.db2.gz SVNYVMJEQIWGGK-OAQYLSRUSA-N 1 0 347.462 4.107 50 0 EIAARO Cc1cc(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)nc(N(C)C)n1 ZINC000252487634 564119381 /nfs/dbraw/zinc/11/93/81/564119381.db2.gz HYQCBUGEABYKMF-GOSISDBHSA-N 1 0 326.488 4.118 50 0 EIAARO COc1ccc2cc(C[NH2+]C[C@H](c3ccnn3C)C(C)C)ccc2c1 ZINC000252509010 564120012 /nfs/dbraw/zinc/12/00/12/564120012.db2.gz YAUMRZDCGGOHPU-FQEVSTJZSA-N 1 0 337.467 4.111 50 0 EIAARO Cc1ccc(SCCOCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002191172 564120708 /nfs/dbraw/zinc/12/07/08/564120708.db2.gz QRLIGEHLZYBXOP-UHFFFAOYSA-N 1 0 327.493 4.162 50 0 EIAARO COc1ccccc1C[C@@H](C)[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000170669666 564121299 /nfs/dbraw/zinc/12/12/99/564121299.db2.gz FRCBQYITQVKREN-QRWLVFNGSA-N 1 0 337.467 4.489 50 0 EIAARO Cc1cc([C@H](C)[NH2+]Cc2nc(=O)c3c(C)c(C)sc3[nH]2)c(C)s1 ZINC000194562318 564121685 /nfs/dbraw/zinc/12/16/85/564121685.db2.gz AUGQHSPAQWXROH-JTQLQIEISA-N 1 0 347.509 4.131 50 0 EIAARO COCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000247831604 564124508 /nfs/dbraw/zinc/12/45/08/564124508.db2.gz HMUJUNOUQZCSCL-UHFFFAOYSA-N 1 0 328.843 4.079 50 0 EIAARO CCc1nnc(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000253417240 564130835 /nfs/dbraw/zinc/13/08/35/564130835.db2.gz CMTHNOUOBAIFOH-UONOGXRCSA-N 1 0 339.361 4.077 50 0 EIAARO CC(C)CC[C@@H](CC[NH2+]C[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000002332743 564132367 /nfs/dbraw/zinc/13/23/67/564132367.db2.gz YESDLGNBFIQNOS-FUHWJXTLSA-N 1 0 333.472 4.094 50 0 EIAARO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cccs3)CC2)cs1 ZINC000095422297 564140020 /nfs/dbraw/zinc/14/00/20/564140020.db2.gz QCSKNRNXMPCGFU-ZDUSSCGKSA-N 1 0 335.542 4.076 50 0 EIAARO COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(C)s2)cc1NC(C)=O ZINC000095422778 564140167 /nfs/dbraw/zinc/14/01/67/564140167.db2.gz BJBPOYBBUPDQGU-JSGCOSHPSA-N 1 0 346.496 4.305 50 0 EIAARO O[C@@H](C1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1)C(F)(F)F ZINC000095968375 564143178 /nfs/dbraw/zinc/14/31/78/564143178.db2.gz JCCCIRUULSLXLX-SJORKVTESA-N 1 0 327.390 4.089 50 0 EIAARO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1Cl ZINC000096006924 564144521 /nfs/dbraw/zinc/14/45/21/564144521.db2.gz SVKLNUQBMASCTP-GFCCVEGCSA-N 1 0 335.801 4.247 50 0 EIAARO CCCCSc1ccccc1N1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000096026566 564144960 /nfs/dbraw/zinc/14/49/60/564144960.db2.gz IRNIUSIEMBTWJH-MJGOQNOKSA-N 1 0 348.556 4.004 50 0 EIAARO CCC[N@@H+]1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 ZINC000096028213 564145051 /nfs/dbraw/zinc/14/50/51/564145051.db2.gz PEFQKJKHTZYYKG-UHFFFAOYSA-N 1 0 335.447 4.299 50 0 EIAARO Cc1ccccc1C[NH+]1CC(c2nc(-c3cccc(Cl)c3)no2)C1 ZINC000096096371 564145153 /nfs/dbraw/zinc/14/51/53/564145153.db2.gz WYHFFCKDZNYFIQ-UHFFFAOYSA-N 1 0 339.826 4.298 50 0 EIAARO CS[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000096434806 564147997 /nfs/dbraw/zinc/14/79/97/564147997.db2.gz POBGPZZOZZEIKX-VBQJREDUSA-N 1 0 335.517 4.057 50 0 EIAARO CN(C)CC[NH2+][C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000022593958 564149608 /nfs/dbraw/zinc/14/96/08/564149608.db2.gz DYRGNAWDGFZLMW-MRXNPFEDSA-N 1 0 332.900 4.240 50 0 EIAARO CCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000002922727 564153071 /nfs/dbraw/zinc/15/30/71/564153071.db2.gz AVOHPWHGCOAMEF-SFTDATJTSA-N 1 0 327.468 4.028 50 0 EIAARO CCc1ccc2c(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)cc(=O)oc2c1 ZINC000057331990 564153580 /nfs/dbraw/zinc/15/35/80/564153580.db2.gz RQLCJMXCMZBSRP-AWEZNQCLSA-N 1 0 339.357 4.130 50 0 EIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(C)c2C)CC1 ZINC000003060184 564154847 /nfs/dbraw/zinc/15/48/47/564154847.db2.gz ZMLHZUATQHYUIZ-HNNXBMFYSA-N 1 0 333.545 4.195 50 0 EIAARO CC(C)Oc1ccc(C[N@H+](C)Cc2cccc(Cl)c2)cc1CO ZINC000670451167 564159375 /nfs/dbraw/zinc/15/93/75/564159375.db2.gz CACAWKPLSBTEDH-UHFFFAOYSA-N 1 0 333.859 4.252 50 0 EIAARO Clc1ccc2c(c1)nccc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000007985219 564161806 /nfs/dbraw/zinc/16/18/06/564161806.db2.gz RELYQDMDJWGZNA-UHFFFAOYSA-N 1 0 337.854 4.210 50 0 EIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc(F)cc1 ZINC000008133103 564163066 /nfs/dbraw/zinc/16/30/66/564163066.db2.gz KTPZNYDMNJDXOS-UHFFFAOYSA-N 1 0 327.378 4.057 50 0 EIAARO COc1ccc(Cl)c2c(=O)c(C[N@@H+]3CCCC[C@@H]3C)c(C)[nH]c12 ZINC000008717470 564166778 /nfs/dbraw/zinc/16/67/78/564166778.db2.gz GHIHOVVBHIOILI-NSHDSACASA-N 1 0 334.847 4.285 50 0 EIAARO C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CCSc2ccccc21 ZINC000008728527 564167034 /nfs/dbraw/zinc/16/70/34/564167034.db2.gz CMXRZRFRIQCFQP-PBHICJAKSA-N 1 0 326.465 4.230 50 0 EIAARO CC[C@@H](C)Sc1ccc(NC(=O)NC2CC[NH+](C)CC2)c(C)c1 ZINC000069561989 564170431 /nfs/dbraw/zinc/17/04/31/564170431.db2.gz MBYBXGRXNPZQSH-CQSZACIVSA-N 1 0 335.517 4.101 50 0 EIAARO CCOC1CC2(C1)CC[N@H+](Cc1ccc(OC(F)F)c(Cl)c1)C2 ZINC000289177001 1021076152 /nfs/dbraw/zinc/07/61/52/1021076152.db2.gz ACLHKQHMIBHYRK-UHFFFAOYSA-N 1 0 345.817 4.332 50 0 EIAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccccc3F)CC2)CC1 ZINC000257182920 1022676331 /nfs/dbraw/zinc/67/63/31/1022676331.db2.gz GZNZSBYQBRBANY-KRWDZBQOSA-N 1 0 347.478 4.192 50 0 EIAARO Fc1cccc(F)c1CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000247560348 1023072329 /nfs/dbraw/zinc/07/23/29/1023072329.db2.gz YQXOABLFXYUKNB-VQTJNVASSA-N 1 0 334.454 4.194 50 0 EIAARO C[C@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cnc(-c2ccccc2)o1 ZINC000888099072 1026019457 /nfs/dbraw/zinc/01/94/57/1026019457.db2.gz VAYSPOUIZJESGA-QFBILLFUSA-N 1 0 336.435 4.158 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1cnc(-c2ccccc2)o1 ZINC000888099073 1026021082 /nfs/dbraw/zinc/02/10/82/1026021082.db2.gz VAYSPOUIZJESGA-VQIMIIECSA-N 1 0 336.435 4.158 50 0 EIAARO CCOC(=O)c1c(N)sc(C[NH+](CC)CC)c1-c1ccccc1 ZINC000003181838 1030810553 /nfs/dbraw/zinc/81/05/53/1030810553.db2.gz CVAVHMGMBHTFMM-UHFFFAOYSA-N 1 0 332.469 4.016 50 0 EIAARO CC[C@H](c1ccc(OC)cc1)[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000252496809 1034267683 /nfs/dbraw/zinc/26/76/83/1034267683.db2.gz PSDDNZCWUIFYMY-HXUWFJFHSA-N 1 0 337.423 4.328 50 0 EIAARO CC(C)COc1cccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000152515380 1042887616 /nfs/dbraw/zinc/88/76/16/1042887616.db2.gz AQUAVOBLQFXVGK-UPCLLVRISA-N 1 0 345.508 4.310 50 0 EIAARO CCc1oc(C(=O)N[C@@H](C)C2=CCCCC2)cc1C[NH+]1CCCC1 ZINC000823570733 1044289528 /nfs/dbraw/zinc/28/95/28/1044289528.db2.gz MIAUXDUNEADICK-HNNXBMFYSA-N 1 0 330.472 4.057 50 0 EIAARO Cc1c2cc(C[NH2+]Cc3cnn(C)c3)ccc2[nH]c1-c1ccccc1F ZINC000012759270 1044509414 /nfs/dbraw/zinc/50/94/14/1044509414.db2.gz KASGTJWWXAUPPS-UHFFFAOYSA-N 1 0 348.425 4.306 50 0 EIAARO COc1cccc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)c1C ZINC000824795712 1044534517 /nfs/dbraw/zinc/53/45/17/1044534517.db2.gz SJBDMNLTSCEUHF-UHFFFAOYSA-N 1 0 338.451 4.242 50 0 EIAARO CC[N@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000012327425 1044733198 /nfs/dbraw/zinc/73/31/98/1044733198.db2.gz JKTHXBOKGOUMQM-OAQYLSRUSA-N 1 0 336.479 4.090 50 0 EIAARO O=C(C[C@@H]1CCc2ccccc21)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000827807434 1044902615 /nfs/dbraw/zinc/90/26/15/1044902615.db2.gz SZDVIRQQWMPTBQ-IBGZPJMESA-N 1 0 334.463 4.341 50 0 EIAARO O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2ccon2)C1 ZINC000012594090 1044932105 /nfs/dbraw/zinc/93/21/05/1044932105.db2.gz KZYDKSLLIYWNQK-HXUWFJFHSA-N 1 0 346.430 4.437 50 0 EIAARO Cc1cnc(C2CC2)n1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575548716 1045258160 /nfs/dbraw/zinc/25/81/60/1045258160.db2.gz JAURXPAPCACSER-GOSISDBHSA-N 1 0 334.467 4.008 50 0 EIAARO c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000193042427 1049513068 /nfs/dbraw/zinc/51/30/68/1049513068.db2.gz TUHZIHJWHCLSMF-FQEVSTJZSA-N 1 0 341.451 4.142 50 0 EIAARO CCc1ccc(C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)cn1 ZINC000512011274 1049647393 /nfs/dbraw/zinc/64/73/93/1049647393.db2.gz YOWAPJJPNSARFQ-AWEZNQCLSA-N 1 0 328.431 4.423 50 0 EIAARO CCC(C)(C)C1CCC2(C[C@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000512146358 1049648798 /nfs/dbraw/zinc/64/87/98/1049648798.db2.gz PHYMCHSROWDFGK-JGCRXCKMSA-N 1 0 334.548 4.172 50 0 EIAARO Cc1cc2[nH]c(C[N@@H+]3CCC[C@@](O)(C(F)(F)F)CC3)cc2c(C)c1 ZINC000952846312 1049676568 /nfs/dbraw/zinc/67/65/68/1049676568.db2.gz ZHCKNGFRRWSROM-KRWDZBQOSA-N 1 0 340.389 4.064 50 0 EIAARO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc(-c2ccccn2)cc1)C1CC1 ZINC000952973922 1049686595 /nfs/dbraw/zinc/68/65/95/1049686595.db2.gz IKTOYGOPGMMEIS-UHFFFAOYSA-N 1 0 346.478 4.264 50 0 EIAARO O[C@H](c1cccs1)C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000952978824 1049687303 /nfs/dbraw/zinc/68/73/03/1049687303.db2.gz YJEJIILUILDSJX-IBGZPJMESA-N 1 0 327.449 4.440 50 0 EIAARO CSc1ccc2cc(C[N@H+](C)CC[C@@H]3CCCCO3)c(=O)[nH]c2c1 ZINC000952981074 1049689063 /nfs/dbraw/zinc/68/90/63/1049689063.db2.gz KGMJEXNRMSPUSE-INIZCTEOSA-N 1 0 346.496 4.053 50 0 EIAARO O=c1[nH]c2ccc(C[NH2+]Cc3ccc(C4CCCC4)s3)cc2[nH]1 ZINC000952982472 1049689448 /nfs/dbraw/zinc/68/94/48/1049689448.db2.gz XSBVBHWAXOKFCI-UHFFFAOYSA-N 1 0 327.453 4.277 50 0 EIAARO Cc1ccc(NC(=O)C[NH2+][C@@H](CC(C)(C)C)c2cccnc2)c(C)c1 ZINC000065370505 1059351596 /nfs/dbraw/zinc/35/15/96/1059351596.db2.gz YCTSEBSOLPCRRO-IBGZPJMESA-N 1 0 339.483 4.404 50 0 EIAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)CCc2ccccc2)CC1 ZINC000581787878 1059990028 /nfs/dbraw/zinc/99/00/28/1059990028.db2.gz GJYJHBCUVHBPBU-OAQYLSRUSA-N 1 0 342.527 4.122 50 0 EIAARO c1csc(-c2n[nH]cc2C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000053945946 214207672 /nfs/dbraw/zinc/20/76/72/214207672.db2.gz WZRDQVLJJFDBRJ-CQSZACIVSA-N 1 0 327.478 4.465 50 0 EIAARO CC(=O)c1c(F)cccc1N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000054369737 214233989 /nfs/dbraw/zinc/23/39/89/214233989.db2.gz NMADMPGETJREPC-UHFFFAOYSA-N 1 0 340.442 4.049 50 0 EIAARO COCC[N@H+](C/C=C/c1ccccc1)Cc1ccc(O)c(Cl)c1 ZINC000055090844 214272398 /nfs/dbraw/zinc/27/23/98/214272398.db2.gz ZSTPWSKQGHOAHE-VMPITWQZSA-N 1 0 331.843 4.207 50 0 EIAARO c1cc2cccc(C[N@@H+](Cc3ccsc3)C[C@@H]3CCCO3)c2[nH]1 ZINC000055153296 214280435 /nfs/dbraw/zinc/28/04/35/214280435.db2.gz NPTDEIAIILWLEJ-SFHVURJKSA-N 1 0 326.465 4.411 50 0 EIAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000004657498 210240108 /nfs/dbraw/zinc/24/01/08/210240108.db2.gz KHYABVADLWBZLD-QGZVFWFLSA-N 1 0 349.833 4.327 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(Cl)cc1F ZINC000058431801 214587262 /nfs/dbraw/zinc/58/72/62/214587262.db2.gz CWNIMYNRLCINPI-UHFFFAOYSA-N 1 0 332.806 4.327 50 0 EIAARO C[N@H+](CCOC(=O)c1ccc(Cl)cc1Cl)Cc1ccccc1 ZINC000004523613 210213830 /nfs/dbraw/zinc/21/38/30/210213830.db2.gz CUDVTJAWTCUJIK-UHFFFAOYSA-N 1 0 338.234 4.282 50 0 EIAARO CC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000004355697 210178387 /nfs/dbraw/zinc/17/83/87/210178387.db2.gz IUJBQIVGLOYVAR-FQEVSTJZSA-N 1 0 346.490 4.295 50 0 EIAARO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000004159473 210135339 /nfs/dbraw/zinc/13/53/39/210135339.db2.gz BKXIJSTVKQIFLU-VEQMMRKXSA-N 1 0 349.559 4.235 50 0 EIAARO CC(C)Oc1ccc(C(=O)OCC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000004026620 210103319 /nfs/dbraw/zinc/10/33/19/210103319.db2.gz FMEJIPSHYUISGF-XLIONFOSSA-N 1 0 345.483 4.285 50 0 biogenic EIAARO CCN(CC)c1ccc2cc(C(=O)Nc3ccccc3)c(=[NH2+])oc2c1 ZINC000003896058 210086779 /nfs/dbraw/zinc/08/67/79/210086779.db2.gz ZQRXXHZOQZEPLY-UHFFFAOYSA-N 1 0 335.407 4.011 50 0 EIAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000003648938 210070321 /nfs/dbraw/zinc/07/03/21/210070321.db2.gz NMVJJEDURJILIY-ZWKOTPCHSA-N 1 0 340.511 4.064 50 0 EIAARO C[C@@H](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000003455884 210044491 /nfs/dbraw/zinc/04/44/91/210044491.db2.gz NAOBXQQJEIURCD-HKUYNNGSSA-N 1 0 340.467 4.117 50 0 EIAARO Cc1sc(NC(=O)c2ccco2)c(C[NH+]2CCC(C)CC2)c1C ZINC000003329397 210008872 /nfs/dbraw/zinc/00/88/72/210008872.db2.gz OIYGGHWBGSHOEM-UHFFFAOYSA-N 1 0 332.469 4.442 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000042959968 213547510 /nfs/dbraw/zinc/54/75/10/213547510.db2.gz UXGCFCGUDFTRPG-CHWSQXEVSA-N 1 0 327.350 4.189 50 0 EIAARO CCCC[C@H]1C=CC[N@@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067491000 215154666 /nfs/dbraw/zinc/15/46/66/215154666.db2.gz UFOVFKKRDFFBML-IBGZPJMESA-N 1 0 332.451 4.327 50 0 EIAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1ccc(-n2cccn2)cc1 ZINC000067769831 215208374 /nfs/dbraw/zinc/20/83/74/215208374.db2.gz DPBVTAYPAIOQRG-UHFFFAOYSA-N 1 0 349.434 4.269 50 0 EIAARO Cc1ccsc1C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC000067788669 215214282 /nfs/dbraw/zinc/21/42/82/215214282.db2.gz OCXMFVKRFUDQDQ-FQEVSTJZSA-N 1 0 348.556 4.307 50 0 EIAARO Cc1c(Cl)ccc(OCCOCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000002822910 209923362 /nfs/dbraw/zinc/92/33/62/209923362.db2.gz RVHUENQYIPNWJN-GJZGRUSLSA-N 1 0 339.907 4.330 50 0 EIAARO [NH3+]CCCCCc1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000002359484 209844677 /nfs/dbraw/zinc/84/46/77/209844677.db2.gz VMZAGIMCDBAECG-UHFFFAOYSA-N 1 0 346.283 4.340 50 0 EIAARO CC[NH+](CC)Cc1cccc(NC(=O)CCOc2ccc(F)cc2)c1 ZINC000040086913 213260574 /nfs/dbraw/zinc/26/05/74/213260574.db2.gz JDZFBUQRFZOWGW-UHFFFAOYSA-N 1 0 344.430 4.075 50 0 EIAARO COc1ccc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000040007499 213249832 /nfs/dbraw/zinc/24/98/32/213249832.db2.gz DMJJXCZPWRZWFS-CYBMUJFWSA-N 1 0 333.403 4.045 50 0 EIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000039985621 213248873 /nfs/dbraw/zinc/24/88/73/213248873.db2.gz MFQMCKPXPAMARV-HXUWFJFHSA-N 1 0 329.440 4.199 50 0 EIAARO Cc1ccc(NC(=S)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1Cl ZINC000036847520 213122824 /nfs/dbraw/zinc/12/28/24/213122824.db2.gz VQVMLUZYXASLIP-KBPBESRZSA-N 1 0 339.936 4.198 50 0 EIAARO COc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1ccccc1 ZINC000036347913 213087087 /nfs/dbraw/zinc/08/70/87/213087087.db2.gz IFPRFLOGGSHHMZ-QFIPXVFZSA-N 1 0 332.447 4.492 50 0 EIAARO Cc1ccccc1C[N@H+](CC(C)C)C[C@H](O)COCc1ccccc1 ZINC000036099813 213065356 /nfs/dbraw/zinc/06/53/56/213065356.db2.gz HYIVYQXFQBKIDU-QFIPXVFZSA-N 1 0 341.495 4.031 50 0 EIAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@H](O)COCc1ccccc1 ZINC000036096653 213063788 /nfs/dbraw/zinc/06/37/88/213063788.db2.gz GSPFMXJCOJLLJQ-IBGZPJMESA-N 1 0 347.524 4.174 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1C ZINC000036031855 213056748 /nfs/dbraw/zinc/05/67/48/213056748.db2.gz VZFACIPARFSTJV-WMZOPIPTSA-N 1 0 333.497 4.097 50 0 EIAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](CCC(C)C)Cc1ccsc1 ZINC000036031182 213056052 /nfs/dbraw/zinc/05/60/52/213056052.db2.gz WTBGGGUVQXUJQP-IBGZPJMESA-N 1 0 347.524 4.345 50 0 EIAARO CCC[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000032801800 212845479 /nfs/dbraw/zinc/84/54/79/212845479.db2.gz RZRHSCDDUOKVNU-KRWDZBQOSA-N 1 0 331.504 4.136 50 0 EIAARO c1coc([C@@H]2CCCCC[N@H+]2Cc2cnc(N3CCCC3)s2)c1 ZINC000072120671 216013923 /nfs/dbraw/zinc/01/39/23/216013923.db2.gz GPJWWCORUOUNIA-INIZCTEOSA-N 1 0 331.485 4.454 50 0 EIAARO OCCCC[N@@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072144077 216030330 /nfs/dbraw/zinc/03/03/30/216030330.db2.gz HCEQBEBRLLOVDD-MRXNPFEDSA-N 1 0 329.406 4.123 50 0 EIAARO CCn1ccc2cc(C[N@H+](C)Cc3cc(-c4ccncc4)no3)ccc21 ZINC000072151761 216039236 /nfs/dbraw/zinc/03/92/36/216039236.db2.gz GXJJDTGDUWXRTE-UHFFFAOYSA-N 1 0 346.434 4.343 50 0 EIAARO C[N@H+](Cc1ccc(Cn2cccn2)cc1)Cc1cccc2ncccc12 ZINC000072171629 216063148 /nfs/dbraw/zinc/06/31/48/216063148.db2.gz OVJHZKGMJIAWRJ-UHFFFAOYSA-N 1 0 342.446 4.112 50 0 EIAARO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)c1 ZINC000000263939 209509884 /nfs/dbraw/zinc/50/98/84/209509884.db2.gz JZAATZQNUJENHF-INIZCTEOSA-N 1 0 345.512 4.218 50 0 EIAARO C[C@@H]1CCCN1C(=O)CC[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000072304881 216143416 /nfs/dbraw/zinc/14/34/16/216143416.db2.gz BDKRPOCMYMEVGJ-QGZVFWFLSA-N 1 0 334.463 4.070 50 0 EIAARO O=c1c(C[NH+]2CCC3(C=Cc4ccccc43)CC2)coc2ccccc21 ZINC000000217225 209490607 /nfs/dbraw/zinc/49/06/07/209490607.db2.gz MNUWAFZQFOMHFD-UHFFFAOYSA-N 1 0 343.426 4.354 50 0 EIAARO CCc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000028292832 212614274 /nfs/dbraw/zinc/61/42/74/212614274.db2.gz UMFIIZVRAOPKMB-NRFANRHFSA-N 1 0 336.479 4.124 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027584409 212568169 /nfs/dbraw/zinc/56/81/69/212568169.db2.gz FPPACSBUKSPXAP-GOSISDBHSA-N 1 0 342.508 4.404 50 0 EIAARO Cc1cnc(C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C(C)C)C2)o1 ZINC000072632750 216285067 /nfs/dbraw/zinc/28/50/67/216285067.db2.gz QZYLYJWBCTXDPC-MRXNPFEDSA-N 1 0 338.455 4.293 50 0 EIAARO C[N@@H+]1CCCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000022582097 212308457 /nfs/dbraw/zinc/30/84/57/212308457.db2.gz MPICVGQTUJBSEV-UHFFFAOYSA-N 1 0 330.859 4.270 50 0 EIAARO O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1F ZINC000022197820 212281876 /nfs/dbraw/zinc/28/18/76/212281876.db2.gz QKQBDFYEWXJVNC-UHFFFAOYSA-N 1 0 340.442 4.109 50 0 EIAARO Cc1noc(C)c1[C@H]1CCCN1Cc1nn(C)c2cccc(Cl)c12 ZINC000215899892 241154131 /nfs/dbraw/zinc/15/41/31/241154131.db2.gz LOSARWKUEQHMPS-MRXNPFEDSA-N 1 0 344.846 4.169 50 0 EIAARO Cc1cc(NC(=O)[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c2ccccc2)no1 ZINC000230164853 242241100 /nfs/dbraw/zinc/24/11/00/242241100.db2.gz PRESOVRBDLIODM-LRCYWBKYSA-N 1 0 341.455 4.077 50 0 EIAARO CCCO[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cc3ccccc3o2)C1 ZINC000020992805 212194954 /nfs/dbraw/zinc/19/49/54/212194954.db2.gz WLZGUDQGGDIPGB-QGZVFWFLSA-N 1 0 339.439 4.214 50 0 EIAARO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 ZINC000020876101 212181271 /nfs/dbraw/zinc/18/12/71/212181271.db2.gz DSRKQIASIFNRRG-OSONQDNFSA-N 1 0 327.468 4.152 50 0 EIAARO CC(C)c1cc(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)on1 ZINC000244719090 243065627 /nfs/dbraw/zinc/06/56/27/243065627.db2.gz LWRHKYZWFQJNCD-AWEZNQCLSA-N 1 0 325.412 4.319 50 0 EIAARO CC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000020868936 212179789 /nfs/dbraw/zinc/17/97/89/212179789.db2.gz NOMXEOYYSQBBDO-RTWAWAEBSA-N 1 0 327.443 4.303 50 0 EIAARO OC[C@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000020599445 212151141 /nfs/dbraw/zinc/15/11/41/212151141.db2.gz NIXRKYWDBAUDGD-OAQYLSRUSA-N 1 0 347.462 4.091 50 0 EIAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)c1 ZINC000020109830 212102000 /nfs/dbraw/zinc/10/20/00/212102000.db2.gz JVJUNFRWEFTDFH-IBGZPJMESA-N 1 0 347.462 4.470 50 0 EIAARO CCOC(=O)C1(CC2CC2)CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 ZINC000019836663 212074265 /nfs/dbraw/zinc/07/42/65/212074265.db2.gz XADKAGVPVNJLAP-MRXNPFEDSA-N 1 0 347.474 4.202 50 0 EIAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000019782069 212066613 /nfs/dbraw/zinc/06/66/13/212066613.db2.gz KGBYHODQBBPBQV-HNNXBMFYSA-N 1 0 333.426 4.266 50 0 EIAARO Cc1oc(-c2cccc(C)c2)nc1CN1CC[NH+](C2CCCC2)CC1 ZINC000019788992 212066317 /nfs/dbraw/zinc/06/63/17/212066317.db2.gz MKBLPMQLASBJOO-UHFFFAOYSA-N 1 0 339.483 4.019 50 0 EIAARO C[C@@H](CCc1ccccc1)[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019636113 212053614 /nfs/dbraw/zinc/05/36/14/212053614.db2.gz MMDSNOSYGNMGNB-LNYGYFNRSA-N 1 0 334.507 4.339 50 0 EIAARO Clc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000019537014 212039421 /nfs/dbraw/zinc/03/94/21/212039421.db2.gz FQTDWJCYVDKIMG-UHFFFAOYSA-N 1 0 335.278 4.311 50 0 EIAARO Cc1cc(OC[C@H]2CCC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042774451 213532647 /nfs/dbraw/zinc/53/26/47/213532647.db2.gz FFPJUSCTCRMBLA-NSHDSACASA-N 1 0 332.669 4.098 50 0 EIAARO c1ccc([C@@H]([NH2+]Cc2cccnc2)c2ccc3c(c2)CCCO3)cc1 ZINC000078656951 217097278 /nfs/dbraw/zinc/09/72/78/217097278.db2.gz SZWVUYPUUQNMIO-JOCHJYFZSA-N 1 0 330.431 4.286 50 0 EIAARO C[C@H](c1ccccc1Cl)[N@H+](Cc1ccc2c(c1)nnn2C)C1CC1 ZINC000079105560 217194006 /nfs/dbraw/zinc/19/40/06/217194006.db2.gz GDNPILCRPMPEIE-CYBMUJFWSA-N 1 0 340.858 4.347 50 0 EIAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)oc1C ZINC000012480286 211391554 /nfs/dbraw/zinc/39/15/54/211391554.db2.gz PQOCOPRSWVNJBE-HNNXBMFYSA-N 1 0 348.468 4.019 50 0 EIAARO Cc1ccc([C@H](C)CC[NH+]2CCC(CCC(=O)N3CCCC3)CC2)o1 ZINC000012472193 211390974 /nfs/dbraw/zinc/39/09/74/211390974.db2.gz WNDQVFTVDXFVCZ-QGZVFWFLSA-N 1 0 346.515 4.196 50 0 EIAARO COCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1 ZINC000012466584 211390118 /nfs/dbraw/zinc/39/01/18/211390118.db2.gz NMUGBBWRJVTKSF-UHFFFAOYSA-N 1 0 334.847 4.162 50 0 EIAARO c1[nH]nc([C@@H]2CCC[N@@H+](C3CCSCC3)C2)c1Cc1ccccc1 ZINC000012246558 211329785 /nfs/dbraw/zinc/32/97/85/211329785.db2.gz IFTXWAMCNMOHBC-QGZVFWFLSA-N 1 0 341.524 4.076 50 0 EIAARO CCOc1cc(C[N@@H+]2CCC[C@H](Nc3cccc(F)c3)C2)ccc1O ZINC000012303918 211339017 /nfs/dbraw/zinc/33/90/17/211339017.db2.gz WGCSEDDJBJJBBJ-SFHVURJKSA-N 1 0 344.430 4.007 50 0 EIAARO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H]([NH2+]C2CCSCC2)C1 ZINC000012195348 211316753 /nfs/dbraw/zinc/31/67/53/211316753.db2.gz MBOYYNVSXFWRGH-GOSISDBHSA-N 1 0 341.524 4.371 50 0 EIAARO CSc1cccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000012197790 211316769 /nfs/dbraw/zinc/31/67/69/211316769.db2.gz YNKIFVWTGGGPMN-UHFFFAOYSA-N 1 0 341.520 4.226 50 0 EIAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000012093818 211289234 /nfs/dbraw/zinc/28/92/34/211289234.db2.gz HLPMQFLZQXRNIX-NOCBQHASSA-N 1 0 348.494 4.466 50 0 EIAARO Cc1cccc(C)c1C(=O)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012055482 211285287 /nfs/dbraw/zinc/28/52/87/211285287.db2.gz NTCFIGIBTHSUTE-SFHVURJKSA-N 1 0 328.500 4.220 50 0 EIAARO CC(C)CC[N@@H+]1CCOc2ccc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000012056733 211284845 /nfs/dbraw/zinc/28/48/45/211284845.db2.gz SESUMCSDUDVXQZ-NRFANRHFSA-N 1 0 339.479 4.203 50 0 EIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2)N1Cc1cccc(Cl)c1 ZINC000011880756 211265495 /nfs/dbraw/zinc/26/54/95/211265495.db2.gz BQSQJIMGEAXCCF-IBGZPJMESA-N 1 0 342.870 4.011 50 0 EIAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000010456709 211173700 /nfs/dbraw/zinc/17/37/00/211173700.db2.gz AEFUPTIDSNGPLU-UHFFFAOYSA-N 1 0 336.479 4.219 50 0 EIAARO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2ncsc2c1 ZINC000010277054 211160289 /nfs/dbraw/zinc/16/02/89/211160289.db2.gz CSZRIBIEUHYMNW-UHFFFAOYSA-N 1 0 337.448 4.144 50 0 EIAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)C2CC2)cc1 ZINC000010351398 211167142 /nfs/dbraw/zinc/16/71/42/211167142.db2.gz PUULBRQUVRGLCM-ORAYPTAESA-N 1 0 344.405 4.341 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000010329697 211163860 /nfs/dbraw/zinc/16/38/60/211163860.db2.gz OKJHMWZAFZQHIL-HXUWFJFHSA-N 1 0 336.410 4.012 50 0 EIAARO Fc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000095080921 218274609 /nfs/dbraw/zinc/27/46/09/218274609.db2.gz YTLKSQKFQZWXKJ-UHFFFAOYSA-N 1 0 338.348 4.167 50 0 EIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccccc1F ZINC000008863065 211011946 /nfs/dbraw/zinc/01/19/46/211011946.db2.gz KZSWXIURBRGMOU-SFHVURJKSA-N 1 0 346.471 4.234 50 0 EIAARO c1ccc(-c2noc(NCc3ccccc3C[NH+]3CCCCC3)n2)cc1 ZINC000095393762 218325919 /nfs/dbraw/zinc/32/59/19/218325919.db2.gz IVZLVBAUBMCORA-UHFFFAOYSA-N 1 0 348.450 4.335 50 0 EIAARO C[C@H]([NH2+]Cc1ccnc(-n2cccn2)c1)c1cccc(C(F)(F)F)c1 ZINC000095420078 218360433 /nfs/dbraw/zinc/36/04/33/218360433.db2.gz JPZINYSOEDKREJ-ZDUSSCGKSA-N 1 0 346.356 4.137 50 0 EIAARO CC[C@H]([NH2+]Cc1ccc(Cn2ccnc2)cc1)c1ccc2c(c1)CCO2 ZINC000095420161 218360602 /nfs/dbraw/zinc/36/06/02/218360602.db2.gz DZULSJUXHUJJSJ-NRFANRHFSA-N 1 0 347.462 4.107 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1cccc(N2CCOC2=O)c1 ZINC000095421009 218362021 /nfs/dbraw/zinc/36/20/21/218362021.db2.gz XZFXTRAPJWMCCJ-CXAGYDPISA-N 1 0 342.464 4.433 50 0 EIAARO COc1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cc1NC(C)=O ZINC000095421459 218362959 /nfs/dbraw/zinc/36/29/59/218362959.db2.gz NIZOANPRMCHXEX-ZDUSSCGKSA-N 1 0 338.407 4.251 50 0 EIAARO Cc1csc(CCC[NH2+][C@@H](C)CC(=O)Nc2cccc(C)c2C)n1 ZINC000095421641 218363047 /nfs/dbraw/zinc/36/30/47/218363047.db2.gz XQZHBISIXRBLHA-AWEZNQCLSA-N 1 0 345.512 4.008 50 0 EIAARO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1nc(C(C)(C)C)cs1 ZINC000095422092 218364383 /nfs/dbraw/zinc/36/43/83/218364383.db2.gz PHOQQWLGAZOYLG-AWEZNQCLSA-N 1 0 344.528 4.155 50 0 EIAARO Cc1noc(C)c1[C@@H](C)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000095422420 218364798 /nfs/dbraw/zinc/36/47/98/218364798.db2.gz AEJNKCJFWCLTHF-CYBMUJFWSA-N 1 0 347.890 4.260 50 0 EIAARO Cc1csc([C@H]([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 ZINC000096478506 218855680 /nfs/dbraw/zinc/85/56/80/218855680.db2.gz ZEFBQNGFORPTFK-FZKQIMNGSA-N 1 0 344.480 4.415 50 0 EIAARO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000097143468 218972962 /nfs/dbraw/zinc/97/29/62/218972962.db2.gz ZBIZWGDBOBWZJX-GJZGRUSLSA-N 1 0 343.515 4.496 50 0 EIAARO CCOc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)ccc1O ZINC000004987002 210351191 /nfs/dbraw/zinc/35/11/91/210351191.db2.gz HEUNAZINVISTLU-UHFFFAOYSA-N 1 0 327.399 4.219 50 0 EIAARO COc1ccc(C[NH2+]Cc2cc3cccc(C)c3nc2Cl)cc1 ZINC000004861346 210305238 /nfs/dbraw/zinc/30/52/38/210305238.db2.gz FXWIFPUYKQQKQS-UHFFFAOYSA-N 1 0 326.827 4.495 50 0 EIAARO CC1CC[NH+](CCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004845382 210297226 /nfs/dbraw/zinc/29/72/26/210297226.db2.gz FKJMVDLMELUKBZ-UHFFFAOYSA-N 1 0 325.452 4.376 50 0 EIAARO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000017112786 257856964 /nfs/dbraw/zinc/85/69/64/257856964.db2.gz FWITUZJSTKONGK-SFHVURJKSA-N 1 0 333.516 4.236 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccccn2)cc1OCc1cccs1 ZINC000299782324 258090492 /nfs/dbraw/zinc/09/04/92/258090492.db2.gz VPCQKMFNXSNFQB-UHFFFAOYSA-N 1 0 340.448 4.021 50 0 EIAARO COCOc1ccc(OC)cc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000089905207 258066369 /nfs/dbraw/zinc/06/63/69/258066369.db2.gz ZHDYRFGKIWPBRN-ZDUSSCGKSA-N 1 0 335.831 4.182 50 0 EIAARO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000057981338 132432935 /nfs/dbraw/zinc/43/29/35/132432935.db2.gz QVWVQCYNLGCBRY-IBGZPJMESA-N 1 0 330.859 4.319 50 0 EIAARO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)cc1 ZINC000036101745 524420280 /nfs/dbraw/zinc/42/02/80/524420280.db2.gz QZKAFLYGUQYFMB-QFIPXVFZSA-N 1 0 341.495 4.031 50 0 EIAARO Brc1cc(-c2ccccc2)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000042770539 563924827 /nfs/dbraw/zinc/92/48/27/563924827.db2.gz KKYGNSLNSGKEJU-CYBMUJFWSA-N 1 0 332.241 4.104 50 0 EIAARO Cc1n[nH]cc1C[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000338776702 564079284 /nfs/dbraw/zinc/07/92/84/564079284.db2.gz LVCKZHPICOQUDR-MRXNPFEDSA-N 1 0 334.261 4.038 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)Cn1ccc2ccccc21 ZINC000000117348 563232525 /nfs/dbraw/zinc/23/25/25/563232525.db2.gz VNALUZQJUWTCND-HNNXBMFYSA-N 1 0 349.261 4.099 50 0 EIAARO COc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)cc(OC)c1 ZINC000000217231 563262007 /nfs/dbraw/zinc/26/20/07/563262007.db2.gz NBPCLBPRMCUYSH-UHFFFAOYSA-N 1 0 335.447 4.264 50 0 EIAARO C[N+]1=C(CC(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C ZINC000000432495 563311283 /nfs/dbraw/zinc/31/12/83/563311283.db2.gz DVDYRJFDEOBVKH-UHFFFAOYSA-O 1 0 341.862 4.135 50 0 EIAARO COc1ccc(-c2cc([C@@H](O)[C@H]3CCCC[NH2+]3)c3ccccc3n2)cc1 ZINC000001608705 563395993 /nfs/dbraw/zinc/39/59/93/563395993.db2.gz PKDJQOGOVQLPPG-IFMALSPDSA-N 1 0 348.446 4.086 50 0 in-vitro EIAARO Clc1ccc(OCCC[NH+]2CCCCC2)c(Br)c1 ZINC000003003520 563469561 /nfs/dbraw/zinc/46/95/61/563469561.db2.gz SUNKWBBDFBWFSC-UHFFFAOYSA-N 1 0 332.669 4.357 50 0 EIAARO COc1cc(C[NH2+]CC(C)C)ccc1OCc1ccc(Cl)nc1 ZINC000005266015 563524795 /nfs/dbraw/zinc/52/47/95/563524795.db2.gz IYUSIXKUMSYQOW-UHFFFAOYSA-N 1 0 334.847 4.068 50 0 EIAARO O[C@]12CCCC[C@@H]1[C@@H](c1cccc(OCc3ccccc3)c1)[NH2+]CC2 ZINC000005683304 563545530 /nfs/dbraw/zinc/54/55/30/563545530.db2.gz NXWLYGWIEVOKFF-VSKRKVRLSA-N 1 0 337.463 4.221 50 0 EIAARO O=C(Nc1ccccc1Cl)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006725595 563582651 /nfs/dbraw/zinc/58/26/51/563582651.db2.gz QDCXPAKUSGOSOB-UHFFFAOYSA-N 1 0 343.858 4.126 50 0 EIAARO CCOCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000007524910 563604787 /nfs/dbraw/zinc/60/47/87/563604787.db2.gz VYXGYSASVOUWOR-UHFFFAOYSA-N 1 0 338.245 4.225 50 0 EIAARO C[NH+](C)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000032781224 563733544 /nfs/dbraw/zinc/73/35/44/563733544.db2.gz OKWISOZSPZFHOC-INIZCTEOSA-N 1 0 337.250 4.026 50 0 EIAARO O=C(c1ccccc1)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000014814049 563765243 /nfs/dbraw/zinc/76/52/43/563765243.db2.gz YSFDNDMOKKAYAL-UHFFFAOYSA-N 1 0 330.431 4.330 50 0 EIAARO Cc1cccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)c1 ZINC000015831540 563793453 /nfs/dbraw/zinc/79/34/53/563793453.db2.gz RGYWTEXKJPCOPQ-FQEVSTJZSA-N 1 0 328.500 4.256 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000016480766 563812815 /nfs/dbraw/zinc/81/28/15/563812815.db2.gz UEBYIZYUEFMKCG-NRFANRHFSA-N 1 0 333.431 4.089 50 0 EIAARO C[C@@H](c1nnnn1-c1ccccc1)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000032916348 563814473 /nfs/dbraw/zinc/81/44/73/563814473.db2.gz BQEIUYPGZJQNJF-INIZCTEOSA-N 1 0 349.482 4.153 50 0 EIAARO COc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1OC ZINC000016662664 563819770 /nfs/dbraw/zinc/81/97/70/563819770.db2.gz ZJIUFYJJNHXLNQ-UHFFFAOYSA-N 1 0 327.399 4.132 50 0 EIAARO CCc1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)sc1C ZINC000024389911 563871391 /nfs/dbraw/zinc/87/13/91/563871391.db2.gz GSPOVXXUWROOEV-UHFFFAOYSA-N 1 0 342.508 4.145 50 0 EIAARO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)cc1 ZINC000025810918 563888614 /nfs/dbraw/zinc/88/86/14/563888614.db2.gz DOVKUHZNMNOBDZ-NRFANRHFSA-N 1 0 333.435 4.218 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)cc1)c1ccccc1Cl ZINC000027579720 563896907 /nfs/dbraw/zinc/89/69/07/563896907.db2.gz AQXYUIWCSUQOFR-SFHVURJKSA-N 1 0 348.849 4.292 50 0 EIAARO O=C(NCc1cn2ccccc2n1)c1sc2ccccc2c1Cl ZINC000028833820 563904254 /nfs/dbraw/zinc/90/42/54/563904254.db2.gz DQGXGYJYLRYHPA-UHFFFAOYSA-N 1 0 341.823 4.132 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCc2ccccc21 ZINC000029483155 563906822 /nfs/dbraw/zinc/90/68/22/563906822.db2.gz GXFMNXUKLWXDFV-KRWDZBQOSA-N 1 0 332.806 4.037 50 0 EIAARO c1cc2n(c1)CC[N@@H+](CCc1ccc3c(c1)CCO3)[C@H]2c1ccccc1 ZINC000072305145 563914572 /nfs/dbraw/zinc/91/45/72/563914572.db2.gz FIEPNGPCWCDKPT-QHCPKHFHSA-N 1 0 344.458 4.071 50 0 EIAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)oc2ccc(C)cc12 ZINC000033018679 563914780 /nfs/dbraw/zinc/91/47/80/563914780.db2.gz GCZKHCYYVMUETG-UHFFFAOYSA-N 1 0 337.419 4.132 50 0 biogenic EIAARO C(=C/c1ccccc1)\CN1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000022454644 563918567 /nfs/dbraw/zinc/91/85/67/563918567.db2.gz MYYVRZCFYBWXHH-RMKNXTFCSA-N 1 0 343.474 4.066 50 0 EIAARO CC[C@H](COc1ccccn1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000041154150 563924392 /nfs/dbraw/zinc/92/43/92/563924392.db2.gz ARZWQYHWRXWHPC-CQSZACIVSA-N 1 0 325.239 4.336 50 0 EIAARO CC[C@@H](C)c1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000042774597 563924944 /nfs/dbraw/zinc/92/49/44/563924944.db2.gz RQPCNPIJJYHKGA-GFCCVEGCSA-N 1 0 326.278 4.341 50 0 EIAARO Brc1ccc(OC[C@@H]2CCC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042774900 563925005 /nfs/dbraw/zinc/92/50/05/563925005.db2.gz GFDVZENRIRNCLX-CQSZACIVSA-N 1 0 346.268 4.495 50 0 EIAARO CCOC(=O)CCCCCCC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000043210883 563925374 /nfs/dbraw/zinc/92/53/74/563925374.db2.gz SPCLAPLILMEXKW-UHFFFAOYSA-N 1 0 345.483 4.369 50 0 EIAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000044935314 563928497 /nfs/dbraw/zinc/92/84/97/563928497.db2.gz YOXQVQVQZXMEFE-OAQYLSRUSA-N 1 0 336.479 4.166 50 0 EIAARO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000058051122 563936943 /nfs/dbraw/zinc/93/69/43/563936943.db2.gz QQSBFCYTIJKPHG-CVEARBPZSA-N 1 0 349.434 4.034 50 0 EIAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000058160726 563938296 /nfs/dbraw/zinc/93/82/96/563938296.db2.gz QHHFMZFAABDEIK-CQSZACIVSA-N 1 0 328.431 4.413 50 0 EIAARO CCc1cccc(CC)c1NC(=O)C[NH2+]Cc1cccc(Cl)c1 ZINC000058160401 563938321 /nfs/dbraw/zinc/93/83/21/563938321.db2.gz MMWZAZZAHPHOME-UHFFFAOYSA-N 1 0 330.859 4.193 50 0 EIAARO COc1c(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)c(C(C)C)nn1C ZINC000058392155 563944649 /nfs/dbraw/zinc/94/46/49/563944649.db2.gz VUFOXHIOKNKNRI-IBGZPJMESA-N 1 0 327.472 4.101 50 0 EIAARO CN(C(=O)c1cccc2ccccc21)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000060106925 563949676 /nfs/dbraw/zinc/94/96/76/563949676.db2.gz IOZFSRPRHQEEJI-LJQANCHMSA-N 1 0 336.479 4.319 50 0 EIAARO O=C(NCCC1=CCC[N@@H+]([C@H]2C=CCCC2)C1)NC1CCCCCC1 ZINC000065404313 563959998 /nfs/dbraw/zinc/95/99/98/563959998.db2.gz LZWSWBOZNLNBRJ-FQEVSTJZSA-N 1 0 345.531 4.139 50 0 EIAARO CC(C)C(=O)Nc1cccnc1-c1cccc([C@H](C)[NH+]2CCCC2)c1 ZINC000065406898 563960224 /nfs/dbraw/zinc/96/02/24/563960224.db2.gz KFONZZUBYWHEFU-INIZCTEOSA-N 1 0 337.467 4.500 50 0 EIAARO CS[C@@H](C)Cc1c(-c2ccccc2)ncn1CC[NH+]1CCCCC1 ZINC000065498027 563961606 /nfs/dbraw/zinc/96/16/06/563961606.db2.gz OGVFRNHBPHRUPV-KRWDZBQOSA-N 1 0 343.540 4.330 50 0 EIAARO Cc1cc(C[NH+]2CCN(c3cccc(C(C)C)n3)CC2)sc1C ZINC000067879622 563962996 /nfs/dbraw/zinc/96/29/96/563962996.db2.gz PDZQZBFOMSRPFV-UHFFFAOYSA-N 1 0 329.513 4.206 50 0 EIAARO C[C@@H](c1nccn1C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000071751356 563965114 /nfs/dbraw/zinc/96/51/14/563965114.db2.gz RBEJIRJUAVBVPO-GOSISDBHSA-N 1 0 346.478 4.267 50 0 EIAARO Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 ZINC000097016663 563966696 /nfs/dbraw/zinc/96/66/96/563966696.db2.gz LOSCESVVOJVBIJ-KZULUSFZSA-N 1 0 347.409 4.423 50 0 EIAARO c1ccc2nc(N3CCC([N@@H+]4CCc5ccccc5C4)CC3)ccc2c1 ZINC000077302467 563968870 /nfs/dbraw/zinc/96/88/70/563968870.db2.gz GJONFOHYZDAJLA-UHFFFAOYSA-N 1 0 343.474 4.262 50 0 EIAARO Cn1ccnc1CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000077470009 563969850 /nfs/dbraw/zinc/96/98/50/563969850.db2.gz PMTCUPGOLKYAGF-INIZCTEOSA-N 1 0 335.854 4.200 50 0 EIAARO COc1ccc(OC)c([C@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000077470067 563969861 /nfs/dbraw/zinc/96/98/61/563969861.db2.gz OWPHIHNDMDFHPT-KRWDZBQOSA-N 1 0 336.435 4.175 50 0 EIAARO c1cnn(CCC2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)c1 ZINC000077519085 563970181 /nfs/dbraw/zinc/97/01/81/563970181.db2.gz PGZRQJFSLXUYGD-UHFFFAOYSA-N 1 0 346.478 4.247 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000585134813 563971829 /nfs/dbraw/zinc/97/18/29/563971829.db2.gz KOGXGQFSUDCGIM-VQIMIIECSA-N 1 0 336.435 4.158 50 0 EIAARO Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000082106814 563972271 /nfs/dbraw/zinc/97/22/71/563972271.db2.gz LEZYGMUPRHFGPW-QGZVFWFLSA-N 1 0 334.891 4.129 50 0 EIAARO CCc1ccc(CSc2ncc(C[NH+]3CCCCC3)c(=O)[nH]2)cc1 ZINC000043804326 563974307 /nfs/dbraw/zinc/97/43/07/563974307.db2.gz NCLXGMRLHNXFOY-UHFFFAOYSA-N 1 0 343.496 4.023 50 0 EIAARO COC[C@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3)s2)CC1(C)C ZINC000091255029 563975127 /nfs/dbraw/zinc/97/51/27/563975127.db2.gz JRKFJAIQCDNEGW-HXUWFJFHSA-N 1 0 345.508 4.025 50 0 EIAARO C[C@@H](c1ccccc1Cl)N(C)CC(=O)N(C)Cc1ccccc1F ZINC000071954376 563983725 /nfs/dbraw/zinc/98/37/25/563983725.db2.gz GCMPGUVPAXKEHT-AWEZNQCLSA-N 1 0 348.849 4.131 50 0 EIAARO CCc1nc2ccccc2c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000000104385 563986415 /nfs/dbraw/zinc/98/64/15/563986415.db2.gz NHHBLYXTJNNTMJ-GASCZTMLSA-N 1 0 339.483 4.022 50 0 EIAARO CCc1ccccc1NC(=S)N(CC[NH+](C)C)[C@@H](C)c1ccco1 ZINC000000263786 563989855 /nfs/dbraw/zinc/98/98/55/563989855.db2.gz PLUVEORYWCKIHC-HNNXBMFYSA-N 1 0 345.512 4.164 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2cncc3ccccc32)c1 ZINC000408525539 563993295 /nfs/dbraw/zinc/99/32/95/563993295.db2.gz UACCZXIMDGZUMR-INIZCTEOSA-N 1 0 347.462 4.477 50 0 EIAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000257365559 563993344 /nfs/dbraw/zinc/99/33/44/563993344.db2.gz PSAMANHUXSNCAO-SMNXXWJPSA-N 1 0 347.890 4.119 50 0 EIAARO CC[NH+](CC)[C@@H](C)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000002035698 563996259 /nfs/dbraw/zinc/99/62/59/563996259.db2.gz UQSAURXCYOSILU-KRWDZBQOSA-N 1 0 325.452 4.092 50 0 EIAARO C[C@@H](c1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1)[NH+]1CCCC1 ZINC000426552381 563996338 /nfs/dbraw/zinc/99/63/38/563996338.db2.gz UYAIXCDGKAKBSO-HNNXBMFYSA-N 1 0 335.451 4.488 50 0 EIAARO [NH3+]CCN[C@]1(c2ccccc2)c2ccccc2CSc2ccccc21 ZINC000033886455 563999891 /nfs/dbraw/zinc/99/98/91/563999891.db2.gz JPEMIBOJOGQXFJ-JOCHJYFZSA-N 1 0 346.499 4.133 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000017245175 564011479 /nfs/dbraw/zinc/01/14/79/564011479.db2.gz WCDKJXUJAFXWJF-LVCYWYKZSA-N 1 0 339.479 4.356 50 0 EIAARO CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000108358156 564028144 /nfs/dbraw/zinc/02/81/44/564028144.db2.gz RUCICVQYYCWHHY-XIXAKLKSSA-N 1 0 345.455 4.018 50 0 EIAARO C[N@H+](Cc1ccccc1NC(=O)NCc1ccoc1)C1CCCCC1 ZINC000047720391 564029678 /nfs/dbraw/zinc/02/96/78/564029678.db2.gz OXRTVAWYVRRYTF-UHFFFAOYSA-N 1 0 341.455 4.366 50 0 EIAARO O[C@H](C[N@H+](Cc1cccs1)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000048324958 564030926 /nfs/dbraw/zinc/03/09/26/564030926.db2.gz HBFQCAFLJDRCPM-MRXNPFEDSA-N 1 0 341.398 4.465 50 0 EIAARO O=C(CCc1ccccc1Cl)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000222404924 564036869 /nfs/dbraw/zinc/03/68/69/564036869.db2.gz FQWXLTSBGMKOJH-INIZCTEOSA-N 1 0 348.918 4.043 50 0 EIAARO COCc1cc(C[N@H+](C)[C@@H](C)c2ccccc2OC)ccc1OC ZINC000223800455 564040871 /nfs/dbraw/zinc/04/08/71/564040871.db2.gz JQSRYRGXKMJBNQ-HNNXBMFYSA-N 1 0 329.440 4.043 50 0 EIAARO CCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000247978239 564052908 /nfs/dbraw/zinc/05/29/08/564052908.db2.gz GIBKTHITSVQDGS-UHFFFAOYSA-N 1 0 340.858 4.146 50 0 EIAARO CCCC[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248165564 564053056 /nfs/dbraw/zinc/05/30/56/564053056.db2.gz RGEZEYOJXRWQAG-UHFFFAOYSA-N 1 0 334.467 4.192 50 0 EIAARO CCCc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)sc1C ZINC000025329453 564054140 /nfs/dbraw/zinc/05/41/40/564054140.db2.gz NWNLKSNGSMJAPA-OAHLLOKOSA-N 1 0 336.526 4.103 50 0 EIAARO OCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000001832543 564057939 /nfs/dbraw/zinc/05/79/39/564057939.db2.gz LICMESCKGWLXFU-UHFFFAOYSA-N 1 0 335.234 4.316 50 0 EIAARO COc1ccc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)cc1CO ZINC000534581972 564061107 /nfs/dbraw/zinc/06/11/07/564061107.db2.gz XOFZFCLFMQABPB-MRXNPFEDSA-N 1 0 325.452 4.401 50 0 EIAARO C[C@H]1C[C@H]1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000012736488 564064696 /nfs/dbraw/zinc/06/46/96/564064696.db2.gz WNNAXJRUAKSABZ-HTAPYJJXSA-N 1 0 348.490 4.222 50 0 EIAARO C[C@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012782204 564070026 /nfs/dbraw/zinc/07/00/26/564070026.db2.gz UZPHSYXSBWNNFX-HNAYVOBHSA-N 1 0 341.430 4.173 50 0 EIAARO C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CCCCC1 ZINC000001460482 564073085 /nfs/dbraw/zinc/07/30/85/564073085.db2.gz LRZZDGIWDUCYJX-UHFFFAOYSA-N 1 0 330.453 4.303 50 0 EIAARO Cc1cc(NCCCn2ccnc2)c2cc(Br)ccc2[nH+]1 ZINC000075279490 564081446 /nfs/dbraw/zinc/08/14/46/564081446.db2.gz VQYREGXZDRMBLL-UHFFFAOYSA-N 1 0 345.244 4.004 50 0 EIAARO CC(=O)Nc1cc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)ccc1F ZINC000222004222 564084299 /nfs/dbraw/zinc/08/42/99/564084299.db2.gz DDCCHXWVFAHEHD-KBXCAEBGSA-N 1 0 341.430 4.032 50 0 EIAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1ccccc1Cl ZINC000006381577 564085388 /nfs/dbraw/zinc/08/53/88/564085388.db2.gz HVUZUNLIHNFUCW-UHFFFAOYSA-N 1 0 341.842 4.462 50 0 EIAARO CCc1ccc([C@H](C)[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)o1 ZINC000090667705 564085828 /nfs/dbraw/zinc/08/58/28/564085828.db2.gz HFUDNXZUWOLPKJ-HOTGVXAUSA-N 1 0 327.472 4.113 50 0 EIAARO Cc1sc2cc(C(=O)NC(C)(C)C)[nH]c2c1C[NH+]1CCCCC1 ZINC000075487443 564086705 /nfs/dbraw/zinc/08/67/05/564086705.db2.gz AWOWLUHSCSJLPE-UHFFFAOYSA-N 1 0 333.501 4.052 50 0 EIAARO Cc1cc2[nH]c(C(=O)Nc3cc(C)ccc3F)c(C[NH+](C)C)c2s1 ZINC000075487890 564087048 /nfs/dbraw/zinc/08/70/48/564087048.db2.gz LDOJYMPSGLIEMF-UHFFFAOYSA-N 1 0 345.443 4.299 50 0 EIAARO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2c2ccccc2)c1 ZINC000241170973 564088303 /nfs/dbraw/zinc/08/83/03/564088303.db2.gz KDFMCXUBKDVLCS-DLVCFXQMSA-N 1 0 338.451 4.073 50 0 EIAARO COc1ccc(C[NH2+]Cc2cccc3cccnc32)c(Cl)c1OC ZINC000089435027 564090584 /nfs/dbraw/zinc/09/05/84/564090584.db2.gz PBUBNNHROVRSFV-UHFFFAOYSA-N 1 0 342.826 4.195 50 0 EIAARO Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)s1 ZINC000036101078 564096099 /nfs/dbraw/zinc/09/60/99/564096099.db2.gz NJMOBZOAKDRCEP-GOSISDBHSA-N 1 0 341.476 4.255 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169678055 564098159 /nfs/dbraw/zinc/09/81/59/564098159.db2.gz HMFGKMQAYOSYSC-SIKLNZKXSA-N 1 0 341.495 4.173 50 0 EIAARO C[C@@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000007043341 564103583 /nfs/dbraw/zinc/10/35/83/564103583.db2.gz RVTAJXOYTPIHQA-GFCCVEGCSA-N 1 0 339.277 4.089 50 0 EIAARO C[C@H](c1nnc(-c2cccs2)o1)[N@H+](C)CCc1ccc(F)cc1 ZINC000065595380 564108086 /nfs/dbraw/zinc/10/80/86/564108086.db2.gz CQUKVXAYTMOXDP-GFCCVEGCSA-N 1 0 331.416 4.173 50 0 EIAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000089949170 564115850 /nfs/dbraw/zinc/11/58/50/564115850.db2.gz LVMIZPMQTHWYJW-KBXCAEBGSA-N 1 0 342.508 4.028 50 0 EIAARO CC[NH+]1CCC(CNC(=O)C2(c3cccc(C)c3)CCCCC2)CC1 ZINC000089977187 564115940 /nfs/dbraw/zinc/11/59/40/564115940.db2.gz ANFIXENQSSFSCK-UHFFFAOYSA-N 1 0 342.527 4.045 50 0 EIAARO CC1(C)C[C@@](C[NH2+]Cc2ccc(O)cc2)(c2ccccc2)CCO1 ZINC000000343891 564116693 /nfs/dbraw/zinc/11/66/93/564116693.db2.gz VVBVCEGVOQDTJC-NRFANRHFSA-N 1 0 325.452 4.009 50 0 biogenic EIAARO C[C@H]1CCC[N@H+](CCCCOc2cccc(Br)c2)C1 ZINC000002822893 564116961 /nfs/dbraw/zinc/11/69/61/564116961.db2.gz VDONTZRAAXPZEC-AWEZNQCLSA-N 1 0 326.278 4.340 50 0 EIAARO C[N@H+](CCCOc1cccc(Br)c1)Cc1ccccc1 ZINC000002823039 564116998 /nfs/dbraw/zinc/11/69/98/564116998.db2.gz WVGJMDMOTVYQEM-UHFFFAOYSA-N 1 0 334.257 4.350 50 0 EIAARO C[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)cc1Cl ZINC000237631261 564117772 /nfs/dbraw/zinc/11/77/72/564117772.db2.gz TWCYVCOKCSXSIR-BZNIZROVSA-N 1 0 337.250 4.261 50 0 EIAARO COc1ccccc1[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000017314263 564118039 /nfs/dbraw/zinc/11/80/39/564118039.db2.gz AAURNPGXRQSASU-INIZCTEOSA-N 1 0 349.478 4.408 50 0 EIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000007696782 564122011 /nfs/dbraw/zinc/12/20/11/564122011.db2.gz UDQWOFPGPZQMBP-UHFFFAOYSA-N 1 0 342.870 4.256 50 0 EIAARO CC(C)CC[NH2+][C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000007738584 564122500 /nfs/dbraw/zinc/12/25/00/564122500.db2.gz MMMLINKOVFSOMY-ZDUSSCGKSA-N 1 0 341.480 4.348 50 0 EIAARO OC1CC[NH+](Cc2cccc(NCc3cccc(Cl)c3F)c2)CC1 ZINC000195539394 564123674 /nfs/dbraw/zinc/12/36/74/564123674.db2.gz OPXJNDPNRCVKMU-UHFFFAOYSA-N 1 0 348.849 4.048 50 0 EIAARO CCOC(=O)c1sc2cccc(F)c2c1CN(C)Cc1ccco1 ZINC000007919026 564125215 /nfs/dbraw/zinc/12/52/15/564125215.db2.gz KFJRYODESLFAPB-UHFFFAOYSA-N 1 0 347.411 4.442 50 0 EIAARO Cc1nc(CN2CCC[N@@H+]([C@@H]3[C@@H]4CCCC[C@@H]4C3(C)C)CC2)cs1 ZINC000095945461 564142179 /nfs/dbraw/zinc/14/21/79/564142179.db2.gz QJLBNKCAVJXYFA-CEXWTWQISA-N 1 0 347.572 4.174 50 0 EIAARO COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cc2cccs2)cc1NC(C)=O ZINC000095968545 564143222 /nfs/dbraw/zinc/14/32/22/564143222.db2.gz RUMQEPFCFYFTMR-KBPBESRZSA-N 1 0 346.496 4.245 50 0 EIAARO CC[C@H](C(=O)OC)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000096026385 564144896 /nfs/dbraw/zinc/14/48/96/564144896.db2.gz FGDAZJUFNBFRLP-HXUWFJFHSA-N 1 0 339.479 4.124 50 0 EIAARO Cc1c(C[C@@H](O)C[NH2+]C(C)C)nc2ccccc2c1-c1ccccc1 ZINC000096027643 564145069 /nfs/dbraw/zinc/14/50/69/564145069.db2.gz LKWFDWARCBJHLY-GOSISDBHSA-N 1 0 334.463 4.112 50 0 EIAARO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000096478023 564148531 /nfs/dbraw/zinc/14/85/31/564148531.db2.gz CQMSTLFMGHXWRX-IERDGZPVSA-N 1 0 337.467 4.256 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+]Cc3cccc(OC)c3OC)oc21 ZINC000028925822 564152844 /nfs/dbraw/zinc/15/28/44/564152844.db2.gz VFSIIEFYLQQYMX-ZDUSSCGKSA-N 1 0 341.407 4.309 50 0 EIAARO COC(=O)c1ccc(CN(C)[C@H](C)c2nc3ccccc3s2)cc1 ZINC000057381180 564153893 /nfs/dbraw/zinc/15/38/93/564153893.db2.gz DXUALNISRSIHKE-CYBMUJFWSA-N 1 0 340.448 4.276 50 0 EIAARO Cc1cccc(NC(=S)N2CCC([N@H+](C)C3CCCC3)CC2)c1 ZINC000003058425 564154775 /nfs/dbraw/zinc/15/47/75/564154775.db2.gz BYPPXPFBOFHLEW-UHFFFAOYSA-N 1 0 331.529 4.031 50 0 EIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2c(C)cccc2C)CC1 ZINC000003060155 564154855 /nfs/dbraw/zinc/15/48/55/564154855.db2.gz JQADBOOPNKUZHJ-MRXNPFEDSA-N 1 0 333.545 4.195 50 0 EIAARO C[C@@H](NC(=S)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211494 564155983 /nfs/dbraw/zinc/15/59/83/564155983.db2.gz FXPQNIMLKQBNIY-RHSMWYFYSA-N 1 0 345.537 4.260 50 0 EIAARO CC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2ccc(Cl)cc2)c1 ZINC000057846457 564156172 /nfs/dbraw/zinc/15/61/72/564156172.db2.gz YTHYIGNPHYZFPQ-UHFFFAOYSA-N 1 0 344.842 4.006 50 0 EIAARO Cc1ccc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCCC2)s1 ZINC000003264910 564156740 /nfs/dbraw/zinc/15/67/40/564156740.db2.gz WSZYXNJFDLZEKL-CZUORRHYSA-N 1 0 334.510 4.073 50 0 EIAARO CCC[C@@H](C)[NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003291326 564157073 /nfs/dbraw/zinc/15/70/73/564157073.db2.gz JVXXLMNTHKEIPM-CYBMUJFWSA-N 1 0 340.423 4.311 50 0 EIAARO CCC[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)Cc3csc(C)n3)c2C1 ZINC000069736836 564171721 /nfs/dbraw/zinc/17/17/21/564171721.db2.gz PIJQKSYQGLYXIN-CYBMUJFWSA-N 1 0 343.496 4.137 50 0 EIAARO CCOC1=C(C[NH+](C)C)[C@@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000071405273 564175005 /nfs/dbraw/zinc/17/50/05/564175005.db2.gz SMZKINMCPJGVHA-LJQANCHMSA-N 1 0 327.399 4.269 50 0 EIAARO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1cnc(-c2ccccc2)o1 ZINC000888099068 1026016769 /nfs/dbraw/zinc/01/67/69/1026016769.db2.gz VAYSPOUIZJESGA-APWZRJJASA-N 1 0 336.435 4.158 50 0 EIAARO COc1cc2c(cc1OC)C[N@H+](CC[C@@H](C)c1ccccc1)CC2 ZINC000023281263 1031353196 /nfs/dbraw/zinc/35/31/96/1031353196.db2.gz UVQUJLCPUSGRBU-MRXNPFEDSA-N 1 0 325.452 4.256 50 0 EIAARO Clc1cccc([C@H](Cc2cccnc2)[NH2+]CC2CCOCC2)c1 ZINC000425944997 1033620263 /nfs/dbraw/zinc/62/02/63/1033620263.db2.gz ZXDPUSRWGXIGGN-IBGZPJMESA-N 1 0 330.859 4.035 50 0 EIAARO Clc1cccc([C@@H](Cc2cccnc2)[NH2+]CC2CCOCC2)c1 ZINC000425944998 1033621090 /nfs/dbraw/zinc/62/10/90/1033621090.db2.gz ZXDPUSRWGXIGGN-LJQANCHMSA-N 1 0 330.859 4.035 50 0 EIAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccccc3F)CC2)CC1 ZINC000257182923 1036303286 /nfs/dbraw/zinc/30/32/86/1036303286.db2.gz GZNZSBYQBRBANY-QGZVFWFLSA-N 1 0 347.478 4.192 50 0 EIAARO Cc1ccc(C[N@@H+]2CCCCCNC(=O)C[C@H]2c2ccccc2)s1 ZINC000257195572 1036636805 /nfs/dbraw/zinc/63/68/05/1036636805.db2.gz WJKQPSFSRQCJFL-IBGZPJMESA-N 1 0 342.508 4.290 50 0 EIAARO Cc1sccc1C[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000339315091 1041237335 /nfs/dbraw/zinc/23/73/35/1041237335.db2.gz KJBIWXJHMSXTOI-UHFFFAOYSA-N 1 0 331.481 4.042 50 0 EIAARO OC[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000012439940 1043227251 /nfs/dbraw/zinc/22/72/51/1043227251.db2.gz JUKABHRZULNBNQ-QHCPKHFHSA-N 1 0 348.490 4.375 50 0 EIAARO CC[C@@H]1C[N@H+](Cc2c[nH]c3ccccc23)Cc2cc(OC)ccc2O1 ZINC000012452788 1043253181 /nfs/dbraw/zinc/25/31/81/1043253181.db2.gz OKSKMAVHRVOUQC-QGZVFWFLSA-N 1 0 336.435 4.350 50 0 EIAARO C[C@H](CCc1c[nH]c2ccccc12)[NH2+]Cc1nc2cc(F)ccc2[nH]1 ZINC000821175215 1043918441 /nfs/dbraw/zinc/91/84/41/1043918441.db2.gz POKNEXAUWQXNKE-CYBMUJFWSA-N 1 0 336.414 4.294 50 0 EIAARO C[C@H](CCc1ccccc1)[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000821831566 1044004521 /nfs/dbraw/zinc/00/45/21/1044004521.db2.gz RYZNXHBELIGDNP-QGZVFWFLSA-N 1 0 328.525 4.323 50 0 EIAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccco3)CC2)c1 ZINC000012246045 1044476755 /nfs/dbraw/zinc/47/67/55/1044476755.db2.gz KDYHTQDXZUZYHR-UHFFFAOYSA-N 1 0 325.387 4.188 50 0 EIAARO C[C@H]1c2cc(F)ccc2CC[N@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000826602448 1044786212 /nfs/dbraw/zinc/78/62/12/1044786212.db2.gz YSOSYIJOAKHQHG-INIZCTEOSA-N 1 0 335.426 4.190 50 0 EIAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](CCCC3CCCC3)C2)c1 ZINC000012589899 1044916052 /nfs/dbraw/zinc/91/60/52/1044916052.db2.gz QCLKEQMJODSKTP-QFIPXVFZSA-N 1 0 345.527 4.283 50 0 EIAARO COc1cccc2[nH]cc(CC[NH2+][C@H]3CCCNc4ccccc43)c21 ZINC000193273367 1049514343 /nfs/dbraw/zinc/51/43/43/1049514343.db2.gz YJICBOBAKKNPKP-SFHVURJKSA-N 1 0 335.451 4.256 50 0 EIAARO CC(=O)N(c1nc(C[NH2+][C@H](C)CC2CCCCC2)cs1)C1CC1 ZINC000193274333 1049515648 /nfs/dbraw/zinc/51/56/48/1049515648.db2.gz ZUYJHHNSEHPHBZ-CYBMUJFWSA-N 1 0 335.517 4.107 50 0 EIAARO COC(C)(C)[C@@H](C)[NH2+]C1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000952845222 1049676698 /nfs/dbraw/zinc/67/66/98/1049676698.db2.gz HHNLKUQYPMGMSG-CYBMUJFWSA-N 1 0 344.421 4.077 50 0 EIAARO c1sc(C[NH2+]C2CCC(c3ccccc3)CC2)nc1C1OCCO1 ZINC000952882479 1049682118 /nfs/dbraw/zinc/68/21/18/1049682118.db2.gz FWPZXQGJHXDRMO-UHFFFAOYSA-N 1 0 344.480 4.005 50 0 EIAARO C[C@H](c1ccncc1)[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000952965839 1049683484 /nfs/dbraw/zinc/68/34/84/1049683484.db2.gz SDYMDUNUBQFRJM-CYBMUJFWSA-N 1 0 326.831 4.318 50 0 EIAARO COc1ccc(/C=C/C[NH+]2CCC([C@H](O)c3cccs3)CC2)cc1 ZINC000952981000 1049684812 /nfs/dbraw/zinc/68/48/12/1049684812.db2.gz NAAKOSNVSHCTHJ-ZFDYTMOGSA-N 1 0 343.492 4.216 50 0 EIAARO Cc1cc(CC(=O)Nc2ccccc2C[NH+]2CCCCC2)ccc1F ZINC000952981826 1049689143 /nfs/dbraw/zinc/68/91/43/1049689143.db2.gz OAXSMVZQTDFMKJ-UHFFFAOYSA-N 1 0 340.442 4.301 50 0 EIAARO CSc1ccc2cc(C[N@H+](C)CC[C@H]3CCCCO3)c(=O)[nH]c2c1 ZINC000952981107 1049689594 /nfs/dbraw/zinc/68/95/94/1049689594.db2.gz KGMJEXNRMSPUSE-MRXNPFEDSA-N 1 0 346.496 4.053 50 0 EIAARO Cc1cnc(-c2ccncc2)n1[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000581806862 1060019282 /nfs/dbraw/zinc/01/92/82/1060019282.db2.gz BHVPWMDQQXMIHN-NRFANRHFSA-N 1 0 346.478 4.399 50 0 EIAARO COc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)c(OC)c1 ZINC000004729403 210262938 /nfs/dbraw/zinc/26/29/38/210262938.db2.gz NRVSVSQKBZKIII-UHFFFAOYSA-N 1 0 325.452 4.305 50 0 EIAARO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000052537499 214132134 /nfs/dbraw/zinc/13/21/34/214132134.db2.gz JGGONKRIDJXKNH-UHFFFAOYSA-N 1 0 343.641 4.375 50 0 EIAARO CCc1ccc(-c2nn(-c3ccccc3)cc2CSC(N)=[NH2+])cc1 ZINC000004724623 210261345 /nfs/dbraw/zinc/26/13/45/210261345.db2.gz GFICLCROZVLVCW-UHFFFAOYSA-N 1 0 336.464 4.228 50 0 EIAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)c1 ZINC000054668263 214250149 /nfs/dbraw/zinc/25/01/49/214250149.db2.gz RIJQVJWHQJTFKH-FQEVSTJZSA-N 1 0 349.430 4.447 50 0 EIAARO COc1ccccc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000054667166 214250264 /nfs/dbraw/zinc/25/02/64/214250264.db2.gz SQZNUIMRHATDTC-IBGZPJMESA-N 1 0 346.858 4.274 50 0 EIAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(C)s2)C1 ZINC000055368823 214312403 /nfs/dbraw/zinc/31/24/03/214312403.db2.gz DRYXWGKXHUPKTB-AWEZNQCLSA-N 1 0 347.455 4.299 50 0 EIAARO Cc1ccc(CN(CC[NH+](C)C)Cc2nc(C(C)C)cs2)s1 ZINC000055358413 214311843 /nfs/dbraw/zinc/31/18/43/214311843.db2.gz YPQYJISTRKNLNV-UHFFFAOYSA-N 1 0 337.558 4.200 50 0 EIAARO COCCn1c(-c2ccccc2)c[nH+]c1NCc1cccc(Cl)c1 ZINC000004679249 210245349 /nfs/dbraw/zinc/24/53/49/210245349.db2.gz VUVUYEOLTHTFLI-UHFFFAOYSA-N 1 0 341.842 4.462 50 0 EIAARO O=C(CCC1CCCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000057997275 214469567 /nfs/dbraw/zinc/46/95/67/214469567.db2.gz LTGBOKVOOWROHO-UHFFFAOYSA-N 1 0 328.500 4.259 50 0 EIAARO Clc1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000004657505 210240145 /nfs/dbraw/zinc/24/01/45/210240145.db2.gz CJRWRKQEIPTZKF-SFHVURJKSA-N 1 0 331.843 4.188 50 0 EIAARO CCOc1cc(NC(=O)Cc2ccccc2)c(OCC)cc1[N+]#N ZINC000004577208 210224972 /nfs/dbraw/zinc/22/49/72/210224972.db2.gz WGPVEGNREDZUQQ-UHFFFAOYSA-O 1 0 326.376 4.150 50 0 EIAARO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(-n3cccn3)cc2)s1 ZINC000178089595 529728949 /nfs/dbraw/zinc/72/89/49/529728949.db2.gz YDZQZOMMEFMCHJ-CYBMUJFWSA-N 1 0 326.469 4.050 50 0 EIAARO C[N@H+](C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000004263720 210155128 /nfs/dbraw/zinc/15/51/28/210155128.db2.gz SOWLIVQHBWMDLN-RKRCHRGQSA-N 1 0 349.559 4.235 50 0 EIAARO c1c(Cc2ccccc2)nnn1C1CC[NH+](C2CCCCCC2)CC1 ZINC000048067003 213885090 /nfs/dbraw/zinc/88/50/90/213885090.db2.gz UANHBPHPEGFZNV-UHFFFAOYSA-N 1 0 338.499 4.229 50 0 EIAARO Cc1ccc([C@@]2(O)C[N+](c3cccc(C)c3C)=C3CCCCN32)c(C)c1 ZINC000004086831 210116246 /nfs/dbraw/zinc/11/62/46/210116246.db2.gz JCNOYLRNYNDTHV-QHCPKHFHSA-N 1 0 349.498 4.180 50 0 EIAARO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004011369 210100385 /nfs/dbraw/zinc/10/03/85/210100385.db2.gz STYAGPHRIVPVTJ-HLIPFELVSA-N 1 0 337.463 4.090 50 0 EIAARO CCCC[N@@H+]1Cc2cccc(NC(=O)Cc3csc(CC)n3)c2C1 ZINC000066513185 215049967 /nfs/dbraw/zinc/04/99/67/215049967.db2.gz YHKHXVMPKLSPOW-UHFFFAOYSA-N 1 0 343.496 4.002 50 0 EIAARO Cc1cc(C)c(OCC[NH2+]Cc2ccccc2)c(Br)c1 ZINC000003363319 210019056 /nfs/dbraw/zinc/01/90/56/210019056.db2.gz AAROURQIOGMSMI-UHFFFAOYSA-N 1 0 334.257 4.235 50 0 EIAARO Cc1nc(-c2cccc(-c3ccc([C@H](C)[NH+]4CCOCC4)cc3)c2)no1 ZINC000067654897 215176186 /nfs/dbraw/zinc/17/61/86/215176186.db2.gz LUCXVYOHCSMDNG-HNNXBMFYSA-N 1 0 349.434 4.105 50 0 EIAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1ccc(NC(C)=O)cc1 ZINC000067856239 215233412 /nfs/dbraw/zinc/23/34/12/215233412.db2.gz MAHWQFDKBSOZJI-UHFFFAOYSA-N 1 0 340.423 4.042 50 0 EIAARO CSc1ccc2nc(-c3cccc4c3O[C@H](C[NH3+])C4)cc(C)c2c1 ZINC000067855856 215233470 /nfs/dbraw/zinc/23/34/70/215233470.db2.gz FZMOLQPWONAOSL-AWEZNQCLSA-N 1 0 336.460 4.194 50 0 EIAARO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccccc1 ZINC000040155742 213274791 /nfs/dbraw/zinc/27/47/91/213274791.db2.gz LDMLFYPZKVFUHB-LJQANCHMSA-N 1 0 342.508 4.010 50 0 EIAARO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000037547721 213155919 /nfs/dbraw/zinc/15/59/19/213155919.db2.gz IUXQXCKMOGJLQO-SFHVURJKSA-N 1 0 336.479 4.277 50 0 EIAARO Fc1ccc(F)c(C[NH+]2CCC(Cn3cnc4ccccc43)CC2)c1 ZINC000036708899 213111843 /nfs/dbraw/zinc/11/18/43/213111843.db2.gz JDSYHLUYBKFFSM-UHFFFAOYSA-N 1 0 341.405 4.227 50 0 EIAARO CC(C)[C@H](NC(=O)C[N@H+](C)[C@H](C)c1ccccc1)c1cccs1 ZINC000036416301 213098525 /nfs/dbraw/zinc/09/85/25/213098525.db2.gz HSSZUDBDTGUJAR-BEFAXECRSA-N 1 0 330.497 4.254 50 0 EIAARO CCC[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036099503 213064499 /nfs/dbraw/zinc/06/44/99/213064499.db2.gz JOYWJTSZWBOJDA-MRXNPFEDSA-N 1 0 339.888 4.053 50 0 EIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@H](O)Cc2ccccc2)cc1 ZINC000036095298 213062868 /nfs/dbraw/zinc/06/28/68/213062868.db2.gz FJYNNJUSANPGEY-OAQYLSRUSA-N 1 0 341.495 4.147 50 0 EIAARO CCC[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036099501 213064377 /nfs/dbraw/zinc/06/43/77/213064377.db2.gz JOYWJTSZWBOJDA-INIZCTEOSA-N 1 0 339.888 4.053 50 0 EIAARO COc1ccc(Sc2ccccc2C[C@@H](C)[NH+](C)C)cc1OC ZINC000033895881 212968971 /nfs/dbraw/zinc/96/89/71/212968971.db2.gz GACPGDCZXXWKFP-CQSZACIVSA-N 1 0 331.481 4.348 50 0 EIAARO OC1(c2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccsc2)CC1 ZINC000072147457 216035662 /nfs/dbraw/zinc/03/56/62/216035662.db2.gz LYMVDCHVHXSEPD-UHFFFAOYSA-N 1 0 341.398 4.251 50 0 EIAARO c1cc([C@@H]2CCCO2)sc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000072169563 216060790 /nfs/dbraw/zinc/06/07/90/216060790.db2.gz COLQWGWHGVHNNN-IBGZPJMESA-N 1 0 342.508 4.312 50 0 EIAARO O=C(N[C@H]1CC[N@@H+](C2CCCCCC2)C1)c1ccc2ccccc2c1 ZINC000072230580 216070652 /nfs/dbraw/zinc/07/06/52/216070652.db2.gz UTVPORVYLDYPOO-FQEVSTJZSA-N 1 0 336.479 4.367 50 0 EIAARO CC(=O)c1cc(C2CCCCC2)ccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000000155484 209456049 /nfs/dbraw/zinc/45/60/49/209456049.db2.gz YDNFNBFOFLARHO-SFHVURJKSA-N 1 0 347.499 4.065 50 0 EIAARO Cc1ccccc1-c1ncc(C[NH+]2CCC(c3ccncc3)CC2)cn1 ZINC000072469624 216248835 /nfs/dbraw/zinc/24/88/35/216248835.db2.gz YMKZWOZNARLELR-UHFFFAOYSA-N 1 0 344.462 4.227 50 0 EIAARO C[NH+](C)C1(CNC(=O)c2cc(Cl)sc2Cl)CCCCCC1 ZINC000025443544 212480869 /nfs/dbraw/zinc/48/08/69/212480869.db2.gz BDCVTBLWOPDOON-UHFFFAOYSA-N 1 0 349.327 4.439 50 0 EIAARO CC[C@H](CNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)[NH+]1CCCC1 ZINC000024798521 212440119 /nfs/dbraw/zinc/44/01/19/212440119.db2.gz NSHRFAINUIBZHK-MRXNPFEDSA-N 1 0 346.858 4.204 50 0 EIAARO FC(F)(F)c1ccccc1[C@@H](c1ccccc1)N1CCC[NH2+]CC1 ZINC000022028441 212272524 /nfs/dbraw/zinc/27/25/24/212272524.db2.gz BVUVQBAYRZKXCJ-GOSISDBHSA-N 1 0 334.385 4.090 50 0 EIAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1OC ZINC000021720598 212244550 /nfs/dbraw/zinc/24/45/50/212244550.db2.gz FBFSISXJLPTSOC-INIZCTEOSA-N 1 0 330.428 4.036 50 0 EIAARO Cc1cc(NC(=O)[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c2ccccc2)no1 ZINC000230164859 242241958 /nfs/dbraw/zinc/24/19/58/242241958.db2.gz PRESOVRBDLIODM-GCVCFTOTSA-N 1 0 341.455 4.077 50 0 EIAARO COc1ccc([C@H](C)C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000242302223 243017870 /nfs/dbraw/zinc/01/78/70/243017870.db2.gz YQOODWXTJVWMFQ-UZLBHIALSA-N 1 0 327.468 4.148 50 0 EIAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2cncn2C2CCCCC2)c1 ZINC000243932068 243031888 /nfs/dbraw/zinc/03/18/88/243031888.db2.gz BSCVSOTYFMZNKM-KRWDZBQOSA-N 1 0 326.488 4.155 50 0 EIAARO CC(C)c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)on1 ZINC000244719091 243067215 /nfs/dbraw/zinc/06/72/15/243067215.db2.gz LWRHKYZWFQJNCD-CQSZACIVSA-N 1 0 325.412 4.319 50 0 EIAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c1 ZINC000020782265 212171648 /nfs/dbraw/zinc/17/16/48/212171648.db2.gz MJHCOCHPRKNCIY-LJQANCHMSA-N 1 0 347.462 4.470 50 0 EIAARO Cc1cc(OCCCC[NH+]2CCN(C)CC2)c(Cl)c(C)c1Cl ZINC000020639495 212159254 /nfs/dbraw/zinc/15/92/54/212159254.db2.gz LBFJIAJOYZWTDT-UHFFFAOYSA-N 1 0 345.314 4.017 50 0 EIAARO COc1ccc(C[NH2+][C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000020535167 212144179 /nfs/dbraw/zinc/14/41/79/212144179.db2.gz JRESHMHIWXYLIT-IBGZPJMESA-N 1 0 344.886 4.103 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000020506865 212141523 /nfs/dbraw/zinc/14/15/23/212141523.db2.gz ZIJUKVHWGJPCTK-LJQANCHMSA-N 1 0 331.843 4.373 50 0 EIAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102761 212100847 /nfs/dbraw/zinc/10/08/47/212100847.db2.gz BNJONLFTUMBVPP-UHFFFAOYSA-N 1 0 334.891 4.001 50 0 EIAARO COc1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000019872551 212077290 /nfs/dbraw/zinc/07/72/90/212077290.db2.gz PWNFWOFDMBCUKX-UHFFFAOYSA-N 1 0 325.383 4.427 50 0 EIAARO COc1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000019720762 212058299 /nfs/dbraw/zinc/05/82/99/212058299.db2.gz FXVCMKXBYNUPKA-UHFFFAOYSA-N 1 0 340.250 4.343 50 0 EIAARO COc1ccccc1CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019360158 212020664 /nfs/dbraw/zinc/02/06/64/212020664.db2.gz NGGUKIULEVMQPF-UHFFFAOYSA-N 1 0 346.474 4.166 50 0 EIAARO CC[NH+](CC)[C@@H](CNc1ncccc1C(F)(F)F)c1ccco1 ZINC000078612968 217087507 /nfs/dbraw/zinc/08/75/07/217087507.db2.gz IRGOUBPDCGUZQM-ZDUSSCGKSA-N 1 0 327.350 4.188 50 0 EIAARO Cc1nnc([C@H](C)[NH2+]CC2(Sc3ccc(C)cc3)CCCC2)o1 ZINC000080298446 217296911 /nfs/dbraw/zinc/29/69/11/217296911.db2.gz HVONBGXIEKAPOO-AWEZNQCLSA-N 1 0 331.485 4.442 50 0 EIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc2ccccc2[nH]1 ZINC000014128808 211688689 /nfs/dbraw/zinc/68/86/89/211688689.db2.gz DJXWZTJYYMMWJM-UHFFFAOYSA-N 1 0 339.483 4.087 50 0 EIAARO C[C@@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012864598 211472567 /nfs/dbraw/zinc/47/25/67/211472567.db2.gz OTXVYYWGBQIITR-GFCCVEGCSA-N 1 0 328.378 4.345 50 0 EIAARO c1ccc(-c2nn(-c3ccccc3)[n+](-c3cccc4ccccc43)n2)cc1 ZINC000012358781 211356161 /nfs/dbraw/zinc/35/61/61/211356161.db2.gz YOJRTDXCZANBTO-UHFFFAOYSA-N 1 0 349.417 4.364 50 0 in-vitro EIAARO Fc1ccc(Oc2ncccc2C[NH2+]C2CCSCC2)cc1F ZINC000012308994 211341519 /nfs/dbraw/zinc/34/15/19/211341519.db2.gz JXGIQFGRMDUHNN-UHFFFAOYSA-N 1 0 336.407 4.137 50 0 EIAARO CO[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000012300475 211336413 /nfs/dbraw/zinc/33/64/13/211336413.db2.gz QZKWQDXNBQDDJD-OAQYLSRUSA-N 1 0 347.462 4.355 50 0 EIAARO FC(F)Oc1ccccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000012201863 211319278 /nfs/dbraw/zinc/31/92/78/211319278.db2.gz CTWIZPJYZKAMEP-QGZVFWFLSA-N 1 0 332.394 4.365 50 0 EIAARO O=C(Nc1ccc2c(c1)CCC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012211548 211322846 /nfs/dbraw/zinc/32/28/46/211322846.db2.gz FCRSOMJGJNYEHQ-UHFFFAOYSA-N 1 0 334.463 4.414 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1C)c1ccccc1Cl ZINC000011917295 211269754 /nfs/dbraw/zinc/26/97/54/211269754.db2.gz JJJHCRARSUKCDM-LJQANCHMSA-N 1 0 344.886 4.461 50 0 EIAARO CCn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091452088 218008003 /nfs/dbraw/zinc/00/80/03/218008003.db2.gz BYATUTZXMXUBNJ-HNNXBMFYSA-N 1 0 337.389 4.301 50 0 EIAARO COCCn1ccnc1C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000091468276 218010855 /nfs/dbraw/zinc/01/08/55/218010855.db2.gz PIVNNANPDUVUDE-UHFFFAOYSA-N 1 0 349.478 4.062 50 0 EIAARO CCN1CCC([N@@H+]2CCC[C@H](Nc3ccc(C(C)C)cc3)C2)CC1 ZINC000011821497 211252889 /nfs/dbraw/zinc/25/28/89/211252889.db2.gz ZCAUEWMCBJHBIE-FQEVSTJZSA-N 1 0 329.532 4.171 50 0 EIAARO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010449945 211173744 /nfs/dbraw/zinc/17/37/44/211173744.db2.gz OGAFCYZWJALSLH-KRWDZBQOSA-N 1 0 334.463 4.264 50 0 EIAARO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000010351348 211166903 /nfs/dbraw/zinc/16/69/03/211166903.db2.gz XWHIIZYNRPQHRQ-YWZLYKJASA-N 1 0 338.451 4.072 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)[NH+](C)C)cc1 ZINC000010328914 211164093 /nfs/dbraw/zinc/16/40/93/211164093.db2.gz KFZLFVZLDIFILM-NRFANRHFSA-N 1 0 332.447 4.181 50 0 EIAARO CCOc1ccccc1NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010313837 211163321 /nfs/dbraw/zinc/16/33/21/211163321.db2.gz IRZVIMMHKXCRHB-UHFFFAOYSA-N 1 0 338.451 4.324 50 0 EIAARO Cc1ccccc1NC(=O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139666 211149820 /nfs/dbraw/zinc/14/98/20/211149820.db2.gz ZJSKCYLGNQGLIP-UHFFFAOYSA-N 1 0 347.462 4.294 50 0 EIAARO CCCn1c(C[NH+]2CCCCCC2)nc2cc(NC(=O)CC)ccc21 ZINC000009942386 211134336 /nfs/dbraw/zinc/13/43/36/211134336.db2.gz RYUQYWQVHZDBHK-UHFFFAOYSA-N 1 0 342.487 4.171 50 0 EIAARO FC(F)C(F)(F)CC[N@@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095355098 218289262 /nfs/dbraw/zinc/28/92/62/218289262.db2.gz WWLHRMSNFIDJHQ-CQSZACIVSA-N 1 0 347.400 4.153 50 0 EIAARO CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 ZINC000095419436 218359903 /nfs/dbraw/zinc/35/99/03/218359903.db2.gz YKLOBPSZXMXIHS-FOIQADDNSA-N 1 0 348.450 4.004 50 0 EIAARO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccccc1OC(F)F ZINC000095419990 218360654 /nfs/dbraw/zinc/36/06/54/218360654.db2.gz OWPWMIUQAZSDTN-CQSZACIVSA-N 1 0 347.409 4.134 50 0 EIAARO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000095421352 218363159 /nfs/dbraw/zinc/36/31/59/218363159.db2.gz OQAGHVNAUXWCNE-IRXDYDNUSA-N 1 0 346.544 4.088 50 0 EIAARO CC(C)n1cc([C@H](C)[NH2+]Cc2ccnc(N3CCCCCC3)c2)cn1 ZINC000095422139 218363740 /nfs/dbraw/zinc/36/37/40/218363740.db2.gz VGQPEVSFNNUVKV-KRWDZBQOSA-N 1 0 341.503 4.090 50 0 EIAARO CCSc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000095421778 218364330 /nfs/dbraw/zinc/36/43/30/218364330.db2.gz DNOCJYSJEWUDSK-OAHLLOKOSA-N 1 0 348.556 4.486 50 0 EIAARO Cc1noc(C)c1C[C@@H](C)[NH2+]C1CCN(c2ccc(Cl)cc2)CC1 ZINC000095422805 218365295 /nfs/dbraw/zinc/36/52/95/218365295.db2.gz WHCJKFLHDCXCTK-CYBMUJFWSA-N 1 0 347.890 4.134 50 0 EIAARO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000095454747 218398777 /nfs/dbraw/zinc/39/87/77/218398777.db2.gz LTCUGAZLFMUJPV-SFHVURJKSA-N 1 0 334.847 4.122 50 0 EIAARO Cc1cc(C)n(C[C@H](C)C[NH2+]C2c3ccccc3-c3ccccc32)n1 ZINC000095996300 218502055 /nfs/dbraw/zinc/50/20/55/218502055.db2.gz UHFWDTQEZAWODD-OAHLLOKOSA-N 1 0 331.463 4.496 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(Br)cc2Cl)C1 ZINC000004914034 210320332 /nfs/dbraw/zinc/32/03/32/210320332.db2.gz UHCPLTZEQRQLPP-TXEJJXNPSA-N 1 0 346.696 4.459 50 0 EIAARO Cc1[nH+]c2ccccc2c(N2CCC(OC3CCOCC3)CC2)c1C ZINC000097371922 219016545 /nfs/dbraw/zinc/01/65/45/219016545.db2.gz UAVLHLFZDMORKK-UHFFFAOYSA-N 1 0 340.467 4.016 50 0 EIAARO CC(C)c1nc(CN(C)Cc2ccccc2C[NH+]2CCCC2)co1 ZINC000097594805 219037145 /nfs/dbraw/zinc/03/71/45/219037145.db2.gz TYWFEBYUEZSHDK-UHFFFAOYSA-N 1 0 327.472 4.026 50 0 EIAARO Cc1cccc(-c2cccc(NC(=O)N3CCC[N@@H+](C)C[C@H]3C)c2)c1 ZINC000299780877 258089416 /nfs/dbraw/zinc/08/94/16/258089416.db2.gz CMBBQAGSERQHFU-QGZVFWFLSA-N 1 0 337.467 4.220 50 0 EIAARO Cc1ccccc1-c1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000299788997 258095136 /nfs/dbraw/zinc/09/51/36/258095136.db2.gz UZAOJAUOFRGBHE-JOCHJYFZSA-N 1 0 349.478 4.269 50 0 EIAARO Cc1ccccc1-c1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000299789001 258095138 /nfs/dbraw/zinc/09/51/38/258095138.db2.gz UZAOJAUOFRGBHE-QFIPXVFZSA-N 1 0 349.478 4.269 50 0 EIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1cccs1 ZINC000007275033 258052824 /nfs/dbraw/zinc/05/28/24/258052824.db2.gz MCQWIMWGXLGXBN-UHFFFAOYSA-N 1 0 340.448 4.021 50 0 EIAARO CSc1ccc(NC(=O)N(C)[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000299768184 258082904 /nfs/dbraw/zinc/08/29/04/258082904.db2.gz GXXJUGUDWSLYPE-GOSISDBHSA-N 1 0 343.496 4.175 50 0 EIAARO CCOc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000055543417 132195829 /nfs/dbraw/zinc/19/58/29/132195829.db2.gz GGDBHSCTQFHCKB-UHFFFAOYSA-N 1 0 330.859 4.061 50 0 EIAARO CCOC(=O)CCCCCCC(=O)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514934 563435793 /nfs/dbraw/zinc/43/57/93/563435793.db2.gz VWARPRJBEROZQV-UHFFFAOYSA-N 1 0 343.467 4.145 50 0 EIAARO Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000006741985 563584291 /nfs/dbraw/zinc/58/42/91/563584291.db2.gz XAPGSKXBAJGOMJ-UHFFFAOYSA-N 1 0 337.467 4.090 50 0 EIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1Cl ZINC000013304746 563694638 /nfs/dbraw/zinc/69/46/38/563694638.db2.gz PLCBAAFOBRUHFI-QFBILLFUSA-N 1 0 340.854 4.097 50 0 EIAARO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000032764931 563729577 /nfs/dbraw/zinc/72/95/77/563729577.db2.gz QVIIFNOYXMDQEN-FGZHOGPDSA-N 1 0 348.490 4.060 50 0 EIAARO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)o1 ZINC000032769498 563729842 /nfs/dbraw/zinc/72/98/42/563729842.db2.gz JEASLVHEAAUUKX-UHFFFAOYSA-N 1 0 340.467 4.058 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2SC)cc1 ZINC000014117140 563742332 /nfs/dbraw/zinc/74/23/32/563742332.db2.gz ACXGXHUBXKCSNR-UHFFFAOYSA-N 1 0 342.508 4.180 50 0 EIAARO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC000014973596 563769566 /nfs/dbraw/zinc/76/95/66/563769566.db2.gz MMKLUGAVGZCCCZ-CQSZACIVSA-N 1 0 335.538 4.199 50 0 EIAARO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+]CCC(C)C)CC3)nc2c1 ZINC000014987312 563770524 /nfs/dbraw/zinc/77/05/24/563770524.db2.gz FHUYHWXRVLZVBX-GOSISDBHSA-N 1 0 340.515 4.241 50 0 EIAARO COCc1ccc(C[N@@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)o1 ZINC000015076164 563776338 /nfs/dbraw/zinc/77/63/38/563776338.db2.gz OYLMSOZYPOBJJL-SFHVURJKSA-N 1 0 328.456 4.119 50 0 EIAARO C[C@H](NC(=O)C[N@H+](C)C1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000016334366 563808773 /nfs/dbraw/zinc/80/87/73/563808773.db2.gz RKSCDTCXFMBOAF-LBPRGKRZSA-N 1 0 343.298 4.435 50 0 EIAARO COC[C@H](C)[NH2+]C1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000020535644 563859451 /nfs/dbraw/zinc/85/94/51/563859451.db2.gz ZMQIAVOUUWKIQY-INIZCTEOSA-N 1 0 342.458 4.086 50 0 EIAARO c1nc(-c2ccc(N3CCC([N@H+]4CC=CCC4)CC3)cc2)cs1 ZINC000023368752 563866558 /nfs/dbraw/zinc/86/65/58/563866558.db2.gz IGJSENXQIKLRFN-UHFFFAOYSA-N 1 0 325.481 4.041 50 0 EIAARO Cc1c(C(=O)NCC2([NH+](C)C)CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580443 563896845 /nfs/dbraw/zinc/89/68/45/563896845.db2.gz GOBCVVYEKCWZDT-UHFFFAOYSA-N 1 0 342.483 4.352 50 0 EIAARO Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000027661955 563898163 /nfs/dbraw/zinc/89/81/63/563898163.db2.gz VYIYRELLMNMUOL-LJQANCHMSA-N 1 0 342.870 4.215 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)[NH+]2CCCC2)cc1 ZINC000027989133 563900604 /nfs/dbraw/zinc/90/06/04/563900604.db2.gz OKMVPIGKDJFEQE-LJQANCHMSA-N 1 0 342.870 4.215 50 0 EIAARO Cc1c2ccc(C)cc2oc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000028287584 563902014 /nfs/dbraw/zinc/90/20/14/563902014.db2.gz ZSLGMCPAACMERF-UHFFFAOYSA-N 1 0 328.456 4.044 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc2ccccc2c1)[C@@H]1CCc2ccccc21 ZINC000029482972 563906542 /nfs/dbraw/zinc/90/65/42/563906542.db2.gz MNSBBQOFSJMFRT-OAQYLSRUSA-N 1 0 330.431 4.398 50 0 EIAARO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072305258 563914714 /nfs/dbraw/zinc/91/47/14/563914714.db2.gz CLZCHNXWRMROKB-CABCVRRESA-N 1 0 340.920 4.193 50 0 EIAARO COc1ccc(C[N@H+](C)Cc2cc(=O)oc3c(C)cc(C)cc23)cc1 ZINC000033018744 563914751 /nfs/dbraw/zinc/91/47/51/563914751.db2.gz ZUXKTNSDYYBKTL-UHFFFAOYSA-N 1 0 337.419 4.050 50 0 EIAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)n1 ZINC000048435646 563930446 /nfs/dbraw/zinc/93/04/46/563930446.db2.gz ZKBSSPPZVQFFPS-MRXNPFEDSA-N 1 0 339.483 4.154 50 0 EIAARO COc1cc(CN(C)[C@H](C)c2nc(C(C)C)no2)ccc1SC ZINC000060356190 563933036 /nfs/dbraw/zinc/93/30/36/563933036.db2.gz YCBJRUYWSWEXCP-GFCCVEGCSA-N 1 0 335.473 4.117 50 0 EIAARO CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000060367790 563935771 /nfs/dbraw/zinc/93/57/71/563935771.db2.gz GDWRILCLJYBZBN-OAHLLOKOSA-N 1 0 330.394 4.003 50 0 EIAARO C[NH+](C)CCN(CC1CCCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000058438280 563946475 /nfs/dbraw/zinc/94/64/75/563946475.db2.gz WCVOYAFFNDFEMY-UHFFFAOYSA-N 1 0 337.895 4.316 50 0 EIAARO C[C@@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)c(F)c1)c1cnn(C)c1 ZINC000096478376 563955104 /nfs/dbraw/zinc/95/51/04/563955104.db2.gz BKIJMQIGZFAWNR-UONOGXRCSA-N 1 0 340.402 4.158 50 0 EIAARO Cc1cccc(-c2cc([C@H]3CC[N@@H+](Cc4nccn4C)C3)ccn2)c1C ZINC000065385141 563959173 /nfs/dbraw/zinc/95/91/73/563959173.db2.gz MVGIJGLYFIYYJE-IBGZPJMESA-N 1 0 346.478 4.088 50 0 EIAARO c1coc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)c1 ZINC000065394767 563959535 /nfs/dbraw/zinc/95/95/35/563959535.db2.gz MJLQMEAUYOBOJV-QGZVFWFLSA-N 1 0 348.402 4.060 50 0 EIAARO CC(C)c1noc([C@@H](C)[NH2+][C@@H](C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000065393887 563959555 /nfs/dbraw/zinc/95/95/55/563959555.db2.gz LXCQIVKQRWYIIY-NWDGAFQWSA-N 1 0 341.377 4.494 50 0 EIAARO O=C(NCCC1=CCC[N@@H+]([C@@H]2C=CCCC2)C1)NC1CCCCCC1 ZINC000065404314 563959976 /nfs/dbraw/zinc/95/99/76/563959976.db2.gz LZWSWBOZNLNBRJ-HXUWFJFHSA-N 1 0 345.531 4.139 50 0 EIAARO CC(C)c1cncnc1-c1cc(O)cc(CC[C@H]2CCCC[NH2+]2)c1 ZINC000071638923 563964649 /nfs/dbraw/zinc/96/46/49/563964649.db2.gz QYNJZMBTMCKEEM-QGZVFWFLSA-N 1 0 325.456 4.047 50 0 EIAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2cnc3ccccc3n2)c1 ZINC000071614565 563964650 /nfs/dbraw/zinc/96/46/50/563964650.db2.gz VQPGATAXBIXRMZ-KRWDZBQOSA-N 1 0 333.435 4.077 50 0 EIAARO Cc1nn(C(C)C)c(C)c1CN1CCC[N@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071751157 563965136 /nfs/dbraw/zinc/96/51/36/563965136.db2.gz AYIHNVOHDOMBBE-NRFANRHFSA-N 1 0 346.563 4.023 50 0 EIAARO CCc1cc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)on1 ZINC000071759709 563965319 /nfs/dbraw/zinc/96/53/19/563965319.db2.gz WRUIDCFNKKZENE-AWEZNQCLSA-N 1 0 334.410 4.360 50 0 EIAARO CCc1cc(C[N@@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)on1 ZINC000071759708 563965336 /nfs/dbraw/zinc/96/53/36/563965336.db2.gz WRUIDCFNKKZENE-CQSZACIVSA-N 1 0 334.410 4.360 50 0 EIAARO COc1ccc([C@H]([NH2+]C2CCSCC2)c2ccc(F)cc2)cc1 ZINC000096999658 563966595 /nfs/dbraw/zinc/96/65/95/563966595.db2.gz MRMDMBREBWOZJF-LJQANCHMSA-N 1 0 331.456 4.409 50 0 EIAARO C[C@H]([NH2+]CCc1ccc(O)cc1)c1cc(Br)ccc1F ZINC000097016621 563966715 /nfs/dbraw/zinc/96/67/15/563966715.db2.gz NKQUROFCSGKVJK-NSHDSACASA-N 1 0 338.220 4.187 50 0 EIAARO CCn1c2ccccc2nc1[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000097032876 563966841 /nfs/dbraw/zinc/96/68/41/563966841.db2.gz AJERHQAKKGVZLF-CABCVRRESA-N 1 0 325.431 4.477 50 0 EIAARO Cc1cc(-c2nnc(C[NH2+][C@@H](C)[C@H](C)c3ccccc3)o2)c(C)o1 ZINC000097110002 563968008 /nfs/dbraw/zinc/96/80/08/563968008.db2.gz WLSVMDUXWMXXQJ-KBPBESRZSA-N 1 0 325.412 4.228 50 0 EIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCC(F)(F)F)cc1 ZINC000077407116 563969483 /nfs/dbraw/zinc/96/94/83/563969483.db2.gz RSSKKHOEBDHICC-MRXNPFEDSA-N 1 0 342.405 4.144 50 0 EIAARO Cc1cc(C)c(NC(=O)CCc2cccc(Br)c2)c(C)n1 ZINC000096998049 563970910 /nfs/dbraw/zinc/97/09/10/563970910.db2.gz WWQMLHIDFDPTFI-UHFFFAOYSA-N 1 0 347.256 4.341 50 0 EIAARO Cc1nc2ccccc2n1C1CC[NH+](Cc2ccncc2Cl)CC1 ZINC000361350133 563973023 /nfs/dbraw/zinc/97/30/23/563973023.db2.gz CGIPYIYUGOVGRT-UHFFFAOYSA-N 1 0 340.858 4.230 50 0 EIAARO COc1cc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)ccc1OC(C)C ZINC000000099474 563981641 /nfs/dbraw/zinc/98/16/41/563981641.db2.gz KQCQEDQQQAKBDX-FQEVSTJZSA-N 1 0 336.435 4.199 50 0 biogenic,in-vitro EIAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)CCC(C)C)CC1 ZINC000000261577 563989704 /nfs/dbraw/zinc/98/97/04/563989704.db2.gz LOTDSXYZZUQWDX-UHFFFAOYSA-N 1 0 347.572 4.388 50 0 EIAARO FC(F)(F)CN1CC[C@H]([NH2+]Cc2cccc(-c3ccccc3)c2)C1 ZINC000060953159 563992186 /nfs/dbraw/zinc/99/21/86/563992186.db2.gz MBDWZUGKENPMIX-SFHVURJKSA-N 1 0 334.385 4.080 50 0 EIAARO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000248148800 563995317 /nfs/dbraw/zinc/99/53/17/563995317.db2.gz ISVHPCPXQSCKQP-UTKZUKDTSA-N 1 0 336.479 4.009 50 0 EIAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000000207705 563998281 /nfs/dbraw/zinc/99/82/81/563998281.db2.gz BNDUEMWETKTLIS-UHFFFAOYSA-N 1 0 328.887 4.436 50 0 EIAARO COc1ccc(C[C@H]([NH2+]Cc2ccccn2)c2ccc(OC)cc2)cc1 ZINC000017317779 564011656 /nfs/dbraw/zinc/01/16/56/564011656.db2.gz KUKJALMYICAZFF-QFIPXVFZSA-N 1 0 348.446 4.172 50 0 EIAARO CC[NH+](CC)CCn1c(-c2ccccc2)nc2c1C(=O)CC(C)(C)C2 ZINC000034514981 564017702 /nfs/dbraw/zinc/01/77/02/564017702.db2.gz TXZPBVDTEQXOFL-UHFFFAOYSA-N 1 0 339.483 4.047 50 0 EIAARO CCC[C@H](c1ccccn1)N(C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000107543083 564026984 /nfs/dbraw/zinc/02/69/84/564026984.db2.gz XDSHYHWFEAJAAR-DNVCBOLYSA-N 1 0 343.446 4.329 50 0 EIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(-c2ccccc2)cc1F ZINC000048248545 564030226 /nfs/dbraw/zinc/03/02/26/564030226.db2.gz MEJZDKKOZBDREH-UHFFFAOYSA-N 1 0 340.442 4.099 50 0 EIAARO O=C(Nc1cccc2ccccc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000048326520 564031181 /nfs/dbraw/zinc/03/11/81/564031181.db2.gz CNNNWMDSGISSAM-UHFFFAOYSA-N 1 0 337.467 4.180 50 0 EIAARO C[N@H+](CCCCc1ccccc1)Cc1nc(-c2ccsc2)no1 ZINC000048362018 564031471 /nfs/dbraw/zinc/03/14/71/564031471.db2.gz PAZPGCUOBNHJJD-UHFFFAOYSA-N 1 0 327.453 4.253 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000024838318 564036731 /nfs/dbraw/zinc/03/67/31/564036731.db2.gz JIONAZSFPHTVAU-SFHVURJKSA-N 1 0 348.849 4.292 50 0 EIAARO COc1cccc([C@@H](CNc2nc3ccccc3s2)[NH+](C)C)c1 ZINC000025371212 564037266 /nfs/dbraw/zinc/03/72/66/564037266.db2.gz OCJWDVJRDLSORR-MRXNPFEDSA-N 1 0 327.453 4.020 50 0 EIAARO Cc1nc([C@H](C)NC(=O)C2([NH+]3CCCCC3)CCCCC2)c(C)s1 ZINC000223289294 564039493 /nfs/dbraw/zinc/03/94/93/564039493.db2.gz SSEDAGJEHRFRHC-AWEZNQCLSA-N 1 0 349.544 4.126 50 0 EIAARO Cc1ccc(CN(C)C(=O)c2cccc(C[NH+]3CCCCCC3)c2)o1 ZINC000223571933 564040354 /nfs/dbraw/zinc/04/03/54/564040354.db2.gz CGQHSTITTJCBKF-UHFFFAOYSA-N 1 0 340.467 4.236 50 0 EIAARO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccccc2OC(F)F)cc1 ZINC000028926314 564047619 /nfs/dbraw/zinc/04/76/19/564047619.db2.gz CHTSCQMYJWJVIS-GFCCVEGCSA-N 1 0 334.366 4.097 50 0 EIAARO OCCCCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000247766124 564052782 /nfs/dbraw/zinc/05/27/82/564052782.db2.gz KYQUBURXZXULFV-UHFFFAOYSA-N 1 0 340.442 4.081 50 0 EIAARO Cn1cc(C[N@H+](Cc2ccccc2)[C@@H]2CCCC[C@H]2O)c2ccccc21 ZINC000248136320 564053028 /nfs/dbraw/zinc/05/30/28/564053028.db2.gz OUXWLMCCCZTPEC-DHIUTWEWSA-N 1 0 348.490 4.484 50 0 EIAARO C[C@H](CO)C[N@H+](Cc1cc(C2CCCCC2)no1)Cc1ccccc1 ZINC000252491943 564053455 /nfs/dbraw/zinc/05/34/55/564053455.db2.gz MABQOHKMIVRYPL-KRWDZBQOSA-N 1 0 342.483 4.353 50 0 EIAARO C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003215696 564058511 /nfs/dbraw/zinc/05/85/11/564058511.db2.gz WMBXQZYSDAJXAQ-CXAGYDPISA-N 1 0 348.899 4.357 50 0 EIAARO Cc1ccccc1NC(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000043972147 564058883 /nfs/dbraw/zinc/05/88/83/564058883.db2.gz FVZKIHZLFAFIDT-UHFFFAOYSA-N 1 0 343.496 4.090 50 0 EIAARO Cc1cc(-c2ccc(C(=O)N(C)CC[NH+](C)C)cc2)c(Cl)cc1F ZINC000534590031 564061202 /nfs/dbraw/zinc/06/12/02/564061202.db2.gz VAOMUUSIDODQIG-UHFFFAOYSA-N 1 0 348.849 4.088 50 0 EIAARO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H]3C(C)C)cs2)c1OC ZINC000084456586 564068200 /nfs/dbraw/zinc/06/82/00/564068200.db2.gz MUXWMYIHJYSHML-INIZCTEOSA-N 1 0 346.496 4.448 50 0 EIAARO O=C(c1cccc2ccccc21)N1CC[NH+](C2CCCCCC2)CC1 ZINC000001456770 564072906 /nfs/dbraw/zinc/07/29/06/564072906.db2.gz IDEQMOWQNUVOIT-UHFFFAOYSA-N 1 0 336.479 4.320 50 0 EIAARO COc1cccc([C@@H](NCc2cc[nH]c2)c2cc(F)ccc2OC)c1 ZINC000086255641 564075434 /nfs/dbraw/zinc/07/54/34/564075434.db2.gz OPMGNRUALHZHJG-HXUWFJFHSA-N 1 0 340.398 4.050 50 0 EIAARO CCCc1c(O)c(C(C)=O)ccc1OCCCC[NH+]1CCCCC1 ZINC000045068642 564076258 /nfs/dbraw/zinc/07/62/58/564076258.db2.gz STQSGNRDIRSFBB-UHFFFAOYSA-N 1 0 333.472 4.192 50 0 EIAARO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000015862266 564077020 /nfs/dbraw/zinc/07/70/20/564077020.db2.gz QCZMGENWFQHWKS-UHFFFAOYSA-N 1 0 328.362 4.241 50 0 EIAARO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000015862264 564077027 /nfs/dbraw/zinc/07/70/27/564077027.db2.gz QKXAVFIETCKWQN-UHFFFAOYSA-N 1 0 338.426 4.306 50 0 EIAARO Cc1ccsc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000006320281 564084604 /nfs/dbraw/zinc/08/46/04/564084604.db2.gz VQSRKLAJHPYIQK-HNNXBMFYSA-N 1 0 347.509 4.313 50 0 EIAARO COc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3ccccc3c2)c1 ZINC000013009959 564086483 /nfs/dbraw/zinc/08/64/83/564086483.db2.gz KJGDJNHVNIPPHA-INIZCTEOSA-N 1 0 348.446 4.307 50 0 EIAARO Cc1ncc([C@@H](C)[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)s1 ZINC000089510178 564091114 /nfs/dbraw/zinc/09/11/14/564091114.db2.gz NFZZISLYGRGTSD-SNVBAGLBSA-N 1 0 338.860 4.117 50 0 EIAARO Cc1c2cccc(Cl)c2oc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000006607295 564093193 /nfs/dbraw/zinc/09/31/93/564093193.db2.gz OKQOPHUEBDZEMY-UHFFFAOYSA-N 1 0 348.874 4.434 50 0 EIAARO CC(C)CN(CC(C)C)C(=O)c1cccc(-c2cc(N)cc[nH+]2)c1 ZINC000426526282 564093974 /nfs/dbraw/zinc/09/39/74/564093974.db2.gz PXNYWFQXDBIHEZ-UHFFFAOYSA-N 1 0 325.456 4.085 50 0 EIAARO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000006640036 564094864 /nfs/dbraw/zinc/09/48/64/564094864.db2.gz AVCFCIONZNYWDA-LJQANCHMSA-N 1 0 326.415 4.428 50 0 EIAARO CCC[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036100605 564096130 /nfs/dbraw/zinc/09/61/30/564096130.db2.gz WMPXQGYFLUJXCG-IBGZPJMESA-N 1 0 347.886 4.300 50 0 EIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2C)s1 ZINC000036100958 564096147 /nfs/dbraw/zinc/09/61/47/564096147.db2.gz RKDBLTLAUUYWFF-GOSISDBHSA-N 1 0 347.524 4.263 50 0 EIAARO CC(C)c1ccc(CNC(=O)C2=CC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000064817969 564096449 /nfs/dbraw/zinc/09/64/49/564096449.db2.gz MWVUDOFLPSEJFN-UHFFFAOYSA-N 1 0 348.490 4.259 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCc1ccco1 ZINC000169677155 564098053 /nfs/dbraw/zinc/09/80/53/564098053.db2.gz JGZFLIXJRLJRJI-UYAOXDASSA-N 1 0 345.483 4.075 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)COc1ccccc1 ZINC000169681585 564098213 /nfs/dbraw/zinc/09/82/13/564098213.db2.gz BGPYBWMZDQKAEE-PZJWPPBQSA-N 1 0 341.495 4.344 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)cc1Cl ZINC000006877145 564100329 /nfs/dbraw/zinc/10/03/29/564100329.db2.gz GPCDRGNOUQAOLM-UHFFFAOYSA-N 1 0 349.906 4.378 50 0 EIAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000006877187 564100386 /nfs/dbraw/zinc/10/03/86/564100386.db2.gz IQBHQSPXNJJALZ-UHFFFAOYSA-N 1 0 349.906 4.316 50 0 EIAARO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCCCCC2)c1 ZINC000007378014 564107141 /nfs/dbraw/zinc/10/71/41/564107141.db2.gz DQJVRYCGZZNIJA-HXUWFJFHSA-N 1 0 338.451 4.251 50 0 EIAARO COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)c2ccccc2)cc1 ZINC000037218963 564108798 /nfs/dbraw/zinc/10/87/98/564108798.db2.gz CNUZOMJKZZDSHE-SFTDATJTSA-N 1 0 325.452 4.346 50 0 EIAARO Cc1cc2[nH]c(C[NH+]3CCC(C4CCOCC4)CC3)cc2c(C)c1 ZINC000170599824 564109285 /nfs/dbraw/zinc/10/92/85/564109285.db2.gz ARVFERAWRPQVJB-UHFFFAOYSA-N 1 0 326.484 4.423 50 0 EIAARO C[NH+](C)[C@@H](c1nc(-c2ccccc2OCc2ccccc2)no1)C1CC1 ZINC000170602075 564109459 /nfs/dbraw/zinc/10/94/59/564109459.db2.gz MTXTVURALPQYHL-LJQANCHMSA-N 1 0 349.434 4.328 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000170602086 564109462 /nfs/dbraw/zinc/10/94/62/564109462.db2.gz MOZDZHRPAWTYOG-LJQANCHMSA-N 1 0 335.536 4.004 50 0 EIAARO Cc1ccc(C[NH2+][C@H]2CCCNc3ccccc32)c(N2CCCC2)n1 ZINC000170615555 564109994 /nfs/dbraw/zinc/10/99/94/564109994.db2.gz QELGPGADFYGZIH-FQEVSTJZSA-N 1 0 336.483 4.027 50 0 EIAARO C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@H](CCO)c1ccccc1 ZINC000075897473 564113323 /nfs/dbraw/zinc/11/33/23/564113323.db2.gz NLAIHDHWSMJTRC-LJQANCHMSA-N 1 0 340.854 4.444 50 0 EIAARO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1cccc(-n2ccnc2)c1 ZINC000089905377 564115096 /nfs/dbraw/zinc/11/50/96/564115096.db2.gz MWRLYAKNPBZBAN-AWEZNQCLSA-N 1 0 338.480 4.447 50 0 EIAARO CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000089949168 564115788 /nfs/dbraw/zinc/11/57/88/564115788.db2.gz LVMIZPMQTHWYJW-KSSFIOAISA-N 1 0 342.508 4.028 50 0 EIAARO Cc1ccc(C(C)(C)C)c(OCCOCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000002822301 564116935 /nfs/dbraw/zinc/11/69/35/564116935.db2.gz VWTNKHSTHINGEN-SFHVURJKSA-N 1 0 333.516 4.420 50 0 EIAARO COc1cc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc(OC)c1OC ZINC000239433416 564117799 /nfs/dbraw/zinc/11/77/99/564117799.db2.gz XQRWVLYBJVRVPB-YESZJQIVSA-N 1 0 333.472 4.161 50 0 EIAARO C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1c1cccs1 ZINC000252444130 564118433 /nfs/dbraw/zinc/11/84/33/564118433.db2.gz AFTCZMDVYJXYRJ-CJNGLKHVSA-N 1 0 348.899 4.243 50 0 EIAARO Cc1cccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222430 564119303 /nfs/dbraw/zinc/11/93/03/564119303.db2.gz KKBHQDLLWJRBJL-NRFANRHFSA-N 1 0 331.463 4.407 50 0 EIAARO CCC[C@@H]([NH2+][C@@H](CCC)[C@@H](O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000252591890 564120977 /nfs/dbraw/zinc/12/09/77/564120977.db2.gz BCXARWAGLICOTL-COPRSSIGSA-N 1 0 341.495 4.381 50 0 EIAARO CC(C)C(=O)OC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000252675661 564124854 /nfs/dbraw/zinc/12/48/54/564124854.db2.gz UPXITFPVTSHUBP-HOCLYGCPSA-N 1 0 343.389 4.288 50 0 EIAARO COc1ccc2cc(C[N@H+](C)[C@H](C)C(=O)Nc3ccccc3)ccc2c1 ZINC000007926778 564125569 /nfs/dbraw/zinc/12/55/69/564125569.db2.gz JWNWPMXPZGLRKK-MRXNPFEDSA-N 1 0 348.446 4.307 50 0 EIAARO O=C(NCC[NH2+]Cc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000013879952 564136372 /nfs/dbraw/zinc/13/63/72/564136372.db2.gz JAKOTFSKSDPNPE-UHFFFAOYSA-N 1 0 338.838 4.013 50 0 EIAARO c1nn(-c2ccccc2)cc1CNc1cccc(CC[NH+]2CCCC2)c1 ZINC000094014844 564138186 /nfs/dbraw/zinc/13/81/86/564138186.db2.gz YKIXGAJVJWSTTF-UHFFFAOYSA-N 1 0 346.478 4.123 50 0 EIAARO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000095422807 564140159 /nfs/dbraw/zinc/14/01/59/564140159.db2.gz YOQQOGUMPZQHFB-KGLIPLIRSA-N 1 0 338.455 4.067 50 0 EIAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(-c3ccccc3)o2)c1 ZINC000095967460 564143043 /nfs/dbraw/zinc/14/30/43/564143043.db2.gz LUNGKPBQWNDJQP-HNNXBMFYSA-N 1 0 334.419 4.157 50 0 EIAARO COc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1NC(C)=O ZINC000095967568 564143069 /nfs/dbraw/zinc/14/30/69/564143069.db2.gz ZXTAGAMRNKVWAS-QGZVFWFLSA-N 1 0 344.842 4.084 50 0 EIAARO NC(=O)N1CCC([NH2+][C@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000095969358 564143399 /nfs/dbraw/zinc/14/33/99/564143399.db2.gz XOVOTBMJJVRREV-SFHVURJKSA-N 1 0 349.906 4.094 50 0 EIAARO Fc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000096013542 564144796 /nfs/dbraw/zinc/14/47/96/564144796.db2.gz IRSTYNNTMFFZIQ-LEWJYISDSA-N 1 0 335.426 4.431 50 0 EIAARO Cc1ccc(CCCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1C ZINC000096013605 564144805 /nfs/dbraw/zinc/14/48/05/564144805.db2.gz VRGXURSHABTVBV-GOSISDBHSA-N 1 0 343.433 4.261 50 0 EIAARO CC[NH2+]CCO[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000096027133 564145035 /nfs/dbraw/zinc/14/50/35/564145035.db2.gz RRGIMYFMDSQBKH-QGZVFWFLSA-N 1 0 334.257 4.165 50 0 EIAARO COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)Cc3c(C)noc3C)oc21 ZINC000096493404 564148782 /nfs/dbraw/zinc/14/87/82/564148782.db2.gz RMBHCHRJRQYDGM-WCQYABFASA-N 1 0 328.412 4.328 50 0 EIAARO COC(=O)c1ccc(C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)o1 ZINC000029155795 564153160 /nfs/dbraw/zinc/15/31/60/564153160.db2.gz FRAOSMWBOUFOJT-SFHVURJKSA-N 1 0 343.423 4.192 50 0 EIAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)CSc1ccccc1Cl ZINC000057157006 564153383 /nfs/dbraw/zinc/15/33/83/564153383.db2.gz OZMKTSNKGWSPIU-CQSZACIVSA-N 1 0 342.936 4.059 50 0 EIAARO CCc1ccccc1NC(=S)N1CCC([N@H+](C)C2CCCC2)CC1 ZINC000003058329 564154782 /nfs/dbraw/zinc/15/47/82/564154782.db2.gz PILKLDPCULABTO-UHFFFAOYSA-N 1 0 345.556 4.285 50 0 EIAARO CC[C@H]([NH2+][C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000057574299 564155031 /nfs/dbraw/zinc/15/50/31/564155031.db2.gz ZCRGPQLJBRKMLU-WBMJQRKESA-N 1 0 336.888 4.147 50 0 EIAARO C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003207162 564155947 /nfs/dbraw/zinc/15/59/47/564155947.db2.gz YWYIJPAYNZMWDV-CXAGYDPISA-N 1 0 347.459 4.234 50 0 EIAARO C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211538 564156007 /nfs/dbraw/zinc/15/60/07/564156007.db2.gz GCGQKWVEEUIHKE-PBHICJAKSA-N 1 0 329.469 4.095 50 0 EIAARO CCc1cccc(CC)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1OC ZINC000057870846 564156296 /nfs/dbraw/zinc/15/62/96/564156296.db2.gz WAITZZGIUHKLHE-HNNXBMFYSA-N 1 0 340.467 4.109 50 0 EIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)Nc1ccc(Cl)cc1 ZINC000008157003 564163228 /nfs/dbraw/zinc/16/32/28/564163228.db2.gz IWDZBCFNOIPMPQ-INIZCTEOSA-N 1 0 347.846 4.282 50 0 EIAARO CCCOc1ccc2[nH]c(C)c(C[N@@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717136 564166738 /nfs/dbraw/zinc/16/67/38/564166738.db2.gz AKWZBVNLBKOERT-CQSZACIVSA-N 1 0 328.456 4.270 50 0 EIAARO COc1ccc(Cl)c2c(=O)c(C[NH+]3CCCCCC3)c(C)[nH]c12 ZINC000008717394 564166794 /nfs/dbraw/zinc/16/67/94/564166794.db2.gz AGHKZSIWHDCKGG-UHFFFAOYSA-N 1 0 334.847 4.287 50 0 EIAARO Cc1ccc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c(C)c1 ZINC000069486113 564169836 /nfs/dbraw/zinc/16/98/36/564169836.db2.gz ZXEOJUUQAZFVFK-UHFFFAOYSA-N 1 0 337.467 4.062 50 0 EIAARO COc1ccc([C@@H](C)C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 ZINC000069519695 564170103 /nfs/dbraw/zinc/17/01/03/564170103.db2.gz OLUXGWOVUPPDLS-MRXNPFEDSA-N 1 0 338.451 4.033 50 0 EIAARO CC(C)[N@@H+]1CC[C@H](Nc2nc(-c3ccsc3)nc3ccccc32)C1 ZINC000071832805 564175777 /nfs/dbraw/zinc/17/57/77/564175777.db2.gz ZQZNLSYYJHAHRU-HNNXBMFYSA-N 1 0 338.480 4.253 50 0 EIAARO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000107451141 1024178296 /nfs/dbraw/zinc/17/82/96/1024178296.db2.gz YHPJZFFADHNXOR-GUDVDZBRSA-N 1 0 331.500 4.062 50 0 EIAARO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(Cl)ccc1F ZINC000177262369 1031504024 /nfs/dbraw/zinc/50/40/24/1031504024.db2.gz HJCDMHVDWNCGMO-UHFFFAOYSA-N 1 0 338.854 4.006 50 0 EIAARO c1ccc(-c2ncc3c(n2)CCC[C@@H]3[NH2+]C2CCSCC2)cc1 ZINC000012058243 1044039302 /nfs/dbraw/zinc/03/93/02/1044039302.db2.gz WCWFWIROLSYYDJ-KRWDZBQOSA-N 1 0 325.481 4.006 50 0 EIAARO CCCOc1ccccc1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000822985485 1044218511 /nfs/dbraw/zinc/21/85/11/1044218511.db2.gz WOYYZJPXRHNFGY-UHFFFAOYSA-N 1 0 338.451 4.324 50 0 EIAARO c1coc(CN2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)c1 ZINC000014957508 1044787927 /nfs/dbraw/zinc/78/79/27/1044787927.db2.gz LCFVBXMLMVRVID-JOCHJYFZSA-N 1 0 338.495 4.200 50 0 EIAARO c1ccc([C@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)CCO2)cc1 ZINC000141832358 1044849789 /nfs/dbraw/zinc/84/97/89/1044849789.db2.gz AFRZZFTXBCQSHJ-JOCHJYFZSA-N 1 0 330.431 4.322 50 0 EIAARO CC(C)(C)n1nc(-c2c[nH]c3ccccc23)nc1[C@@H]1CCC[C@H]([NH3+])C1 ZINC000827541542 1044870747 /nfs/dbraw/zinc/87/07/47/1044870747.db2.gz LYNQJUFBNFMQKC-KGLIPLIRSA-N 1 0 337.471 4.166 50 0 EIAARO O=C(Nc1ccc2scnc2c1)C1([NH+]2CCCC2)CCCCC1 ZINC000827661290 1044880969 /nfs/dbraw/zinc/88/09/69/1044880969.db2.gz OIPJDENMCJSBPL-UHFFFAOYSA-N 1 0 329.469 4.034 50 0 EIAARO CCOC1CC2(C1)CC[N@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000585084559 1049429109 /nfs/dbraw/zinc/42/91/09/1049429109.db2.gz WNLBIVQRGMCUQO-UHFFFAOYSA-N 1 0 329.484 4.399 50 0 EIAARO C[C@@H]([NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1)C1CC(F)(F)C1 ZINC000529539800 1055867880 /nfs/dbraw/zinc/86/78/80/1055867880.db2.gz UVULMLKXJCFEHM-KDOFPFPSSA-N 1 0 344.405 4.390 50 0 EIAARO Cc1c[nH+]c(C)n1C[C@H]1CCCN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000581808058 1060018660 /nfs/dbraw/zinc/01/86/60/1060018660.db2.gz PENTWKFSSHAKPZ-SFHVURJKSA-N 1 0 340.471 4.061 50 0 EIAARO COC(=O)c1ccc[n+]2c1S[C@H](c1ccccc1)[C@H]2c1ccccc1 ZINC000004721240 210259987 /nfs/dbraw/zinc/25/99/87/210259987.db2.gz QOLQJCGZAPBVRP-RTBURBONSA-N 1 0 348.447 4.197 50 0 EIAARO FC(F)(F)c1ccc(CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000004710724 210255881 /nfs/dbraw/zinc/25/58/81/210255881.db2.gz VZANPBDHXSNYRN-UHFFFAOYSA-N 1 0 331.341 4.292 50 0 EIAARO C[C@H]([NH2+]Cc1ccccn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000054203685 214225336 /nfs/dbraw/zinc/22/53/36/214225336.db2.gz KVNKZMFRJVBNCL-HNNXBMFYSA-N 1 0 349.409 4.324 50 0 EIAARO CC[C@H](C)[N@H+](Cc1cccnc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055074665 214269193 /nfs/dbraw/zinc/26/91/93/214269193.db2.gz OPLJGJXGJSOONA-INIZCTEOSA-N 1 0 336.435 4.297 50 0 EIAARO Fc1ccc(-c2n[nH]cc2C[N@H+](Cc2ccsc2)C2CC2)cc1 ZINC000055211482 214289851 /nfs/dbraw/zinc/28/98/51/214289851.db2.gz UZJAUEYABABZIA-UHFFFAOYSA-N 1 0 327.428 4.442 50 0 EIAARO Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)[C@H](C)Cc1cc(C)ccn1 ZINC000055385172 214315986 /nfs/dbraw/zinc/31/59/86/214315986.db2.gz IGFAFWUVQSDLJG-OAHLLOKOSA-N 1 0 328.504 4.021 50 0 EIAARO COc1cc(C[NH2+]Cc2ccccc2C(F)(F)F)cc(OC)c1 ZINC000055429545 214323418 /nfs/dbraw/zinc/32/34/18/214323418.db2.gz XJTPRWCKMVHFDH-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO C/C(=C\C(=O)Nc1ccccc1C[NH+]1CCCC1)c1ccccc1F ZINC000056396467 214374190 /nfs/dbraw/zinc/37/41/90/214374190.db2.gz NEKJFQDJOMFVGO-JQIJEIRASA-N 1 0 338.426 4.464 50 0 EIAARO Cc1cc(CN2CC[NH+]([C@H](C)c3ccc4ccccc4c3)CC2)no1 ZINC000056491092 214376520 /nfs/dbraw/zinc/37/65/20/214376520.db2.gz CIMWISCDKQKWAE-QGZVFWFLSA-N 1 0 335.451 4.015 50 0 EIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccs2)N3)C1 ZINC000004554035 210220878 /nfs/dbraw/zinc/22/08/78/210220878.db2.gz XSULAHMHIMBIKB-AWEZNQCLSA-N 1 0 333.482 4.005 50 0 EIAARO CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(F)cc2)N3)C1 ZINC000004554042 210220414 /nfs/dbraw/zinc/22/04/14/210220414.db2.gz ZDDJCQPFKWLWQJ-MRXNPFEDSA-N 1 0 345.443 4.083 50 0 EIAARO Cc1nc(=O)c(-c2ccccc2)c(C)n1C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004502022 210207006 /nfs/dbraw/zinc/20/70/06/210207006.db2.gz ZLIWRQZOGBPPGW-UHFFFAOYSA-N 1 0 339.483 4.009 50 0 EIAARO CSCCc1c(-c2ccccc2)ncn1CC(C)(C)[NH+]1CCCC1 ZINC000065527048 214946973 /nfs/dbraw/zinc/94/69/73/214946973.db2.gz QKHYLUMGNXSSFQ-UHFFFAOYSA-N 1 0 343.540 4.330 50 0 EIAARO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000003355117 210016208 /nfs/dbraw/zinc/01/62/08/210016208.db2.gz ISVHPCPXQSCKQP-LAUBAEHRSA-N 1 0 336.479 4.009 50 0 EIAARO Cc1sc2ncnc(NC[C@H](c3ccccc3)[NH+](C)C)c2c1C ZINC000003301302 210001922 /nfs/dbraw/zinc/00/19/22/210001922.db2.gz JBYBSZIEQWWITL-OAHLLOKOSA-N 1 0 326.469 4.023 50 0 EIAARO CC(C)(C)c1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000042774783 213533024 /nfs/dbraw/zinc/53/30/24/213533024.db2.gz ORKQEQIGRDUQAS-UHFFFAOYSA-N 1 0 326.278 4.125 50 0 EIAARO c1ccc2c(c1)cccc2-c1noc2c1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC000067725182 215196297 /nfs/dbraw/zinc/19/62/97/215196297.db2.gz XFJYUFQWZOMSBV-INIZCTEOSA-N 1 0 334.419 4.032 50 0 EIAARO Cc1c(-c2ccccc2)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O ZINC000103687758 219319994 /nfs/dbraw/zinc/31/99/94/219319994.db2.gz KWFVCENTLCYJOV-UHFFFAOYSA-N 1 0 327.791 4.244 50 0 EIAARO COc1ccc(C[NH2+]CC[C@]2(C(C)C)CCOC(C)(C)C2)cc1OC ZINC000002098064 209819658 /nfs/dbraw/zinc/81/96/58/209819658.db2.gz JYRQQKIOHWOXDX-NRFANRHFSA-N 1 0 349.515 4.415 50 0 biogenic EIAARO COc1cccc(-c2nc(C[N@H+](C)[C@H](C)C3CC3)cs2)c1OC ZINC000069371670 215391747 /nfs/dbraw/zinc/39/17/47/215391747.db2.gz JYHPIAMLZMSFFT-GFCCVEGCSA-N 1 0 332.469 4.058 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cc(Cl)ccc1F ZINC000040086942 213260568 /nfs/dbraw/zinc/26/05/68/213260568.db2.gz GYPSMHCIZCDYQM-UHFFFAOYSA-N 1 0 332.806 4.327 50 0 EIAARO Oc1ccccc1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000038397966 213208916 /nfs/dbraw/zinc/20/89/16/213208916.db2.gz ACAGROBGWBHGDW-UHFFFAOYSA-N 1 0 342.442 4.284 50 0 EIAARO CC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037560800 213157162 /nfs/dbraw/zinc/15/71/62/213157162.db2.gz VXNQBERVMDWQKY-UHFFFAOYSA-N 1 0 340.442 4.152 50 0 EIAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@@H](O)COc1ccccc1 ZINC000036100036 213067470 /nfs/dbraw/zinc/06/74/70/213067470.db2.gz GJQOLWNLMJUOKJ-OAQYLSRUSA-N 1 0 341.495 4.283 50 0 EIAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COc1ccccc1 ZINC000036100035 213066494 /nfs/dbraw/zinc/06/64/94/213066494.db2.gz GJQOLWNLMJUOKJ-NRFANRHFSA-N 1 0 341.495 4.283 50 0 EIAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COCc1ccccc1 ZINC000036097420 213064943 /nfs/dbraw/zinc/06/49/43/213064943.db2.gz VKQUCADQXODOII-QFIPXVFZSA-N 1 0 341.495 4.093 50 0 EIAARO O[C@H](Cc1ccccc1)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000036096839 213063183 /nfs/dbraw/zinc/06/31/83/213063183.db2.gz DLYUBSNZMPDBKM-HSZRJFAPSA-N 1 0 331.459 4.292 50 0 EIAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@@H](O)COCc1ccccc1 ZINC000036096655 213062742 /nfs/dbraw/zinc/06/27/42/213062742.db2.gz GSPFMXJCOJLLJQ-LJQANCHMSA-N 1 0 347.524 4.174 50 0 EIAARO CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](CC(C)C)CC2)cc1 ZINC000034683074 212982342 /nfs/dbraw/zinc/98/23/42/212982342.db2.gz UFTBFSYEUCQBQK-UHFFFAOYSA-N 1 0 330.516 4.358 50 0 EIAARO CC(C)c1nccc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)n1 ZINC000072137008 216024970 /nfs/dbraw/zinc/02/49/70/216024970.db2.gz PCTPXAJQJWXGPV-LJQANCHMSA-N 1 0 339.483 4.293 50 0 EIAARO Cc1nc(CN2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072146868 216033182 /nfs/dbraw/zinc/03/31/82/216033182.db2.gz RROFHRXDVGMTGJ-IBGZPJMESA-N 1 0 329.513 4.240 50 0 EIAARO CC(=O)C1(c2ccccc2)CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000072146258 216034253 /nfs/dbraw/zinc/03/42/53/216034253.db2.gz MVASMXXFJJXSOW-UHFFFAOYSA-N 1 0 349.474 4.272 50 0 EIAARO c1ccc(CCC[N@@H+]2CCC[C@H](Nc3cnc4ccccc4n3)C2)cc1 ZINC000072478646 216256323 /nfs/dbraw/zinc/25/63/23/216256323.db2.gz CSVMCQHIVHGCDN-IBGZPJMESA-N 1 0 346.478 4.139 50 0 EIAARO C[N@H+](CC[C@H]1CCCCO1)Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000023368404 212370361 /nfs/dbraw/zinc/37/03/61/212370361.db2.gz LGPATBOCBZMPAJ-QGZVFWFLSA-N 1 0 339.439 4.214 50 0 EIAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 ZINC000022926600 212335571 /nfs/dbraw/zinc/33/55/71/212335571.db2.gz MQMJHJBSJFAGNI-NRFANRHFSA-N 1 0 348.494 4.049 50 0 EIAARO COc1cc(OC)c(C[NH2+][C@H](C)c2cc(C)ccc2C)c(OC)c1 ZINC000022786425 212325366 /nfs/dbraw/zinc/32/53/66/212325366.db2.gz MGAUGHKHDYPOKZ-OAHLLOKOSA-N 1 0 329.440 4.180 50 0 EIAARO CC(C)[NH+](CCNC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(C)C ZINC000022623353 212312568 /nfs/dbraw/zinc/31/25/68/212312568.db2.gz GITVXHLWQUEBJS-AWEZNQCLSA-N 1 0 342.936 4.056 50 0 EIAARO c1[nH]c2ccccc2c1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000022078081 212276636 /nfs/dbraw/zinc/27/66/36/212276636.db2.gz MLBJSOYTMXIZIO-UHFFFAOYSA-N 1 0 349.522 4.110 50 0 EIAARO COCCOC1CC[NH+](Cc2cccc3c4ccccc4oc32)CC1 ZINC000215161409 241109630 /nfs/dbraw/zinc/10/96/30/241109630.db2.gz AQFONSYOYHPIFA-UHFFFAOYSA-N 1 0 339.435 4.213 50 0 EIAARO Cc1noc(C)c1[C@@H]1CCCN1Cc1nn(C)c2cccc(Cl)c12 ZINC000215899851 241153801 /nfs/dbraw/zinc/15/38/01/241153801.db2.gz LOSARWKUEQHMPS-INIZCTEOSA-N 1 0 344.846 4.169 50 0 EIAARO COc1cc(F)c(C[N@H+](C)Cc2cccc3cnccc32)cc1OC ZINC000216086480 241164580 /nfs/dbraw/zinc/16/45/80/241164580.db2.gz DTNOMXLQZDTAGB-UHFFFAOYSA-N 1 0 340.398 4.023 50 0 EIAARO [NH3+]C[C@H](c1ccc(Cl)cc1Cl)N1CCc2sccc2C1 ZINC000021811801 212253543 /nfs/dbraw/zinc/25/35/43/212253543.db2.gz QZUWGSTWDIGMRY-CQSZACIVSA-N 1 0 327.280 4.113 50 0 EIAARO COc1ccc([C@@](C)(O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000021169979 212214315 /nfs/dbraw/zinc/21/43/15/212214315.db2.gz PUNVHTFMJIWTCK-FGZHOGPDSA-N 1 0 339.479 4.172 50 0 EIAARO Cc1oc(-c2ccsc2)nc1C[N@H+](CC1CCC1)C[C@@H]1CCCO1 ZINC000020821404 212173495 /nfs/dbraw/zinc/17/34/95/212173495.db2.gz SXVKJCAAIVUXHO-KRWDZBQOSA-N 1 0 346.496 4.493 50 0 EIAARO CCc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000020598331 212150253 /nfs/dbraw/zinc/15/02/53/212150253.db2.gz LCBKOXJOBJWZMT-HNNXBMFYSA-N 1 0 337.389 4.371 50 0 EIAARO CC(C)(CO)[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000248160248 243542838 /nfs/dbraw/zinc/54/28/38/243542838.db2.gz KWONYYDUDRCMIQ-UHFFFAOYSA-N 1 0 342.870 4.204 50 0 EIAARO Cc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)c1 ZINC000020109829 212102283 /nfs/dbraw/zinc/10/22/83/212102283.db2.gz JVJUNFRWEFTDFH-LJQANCHMSA-N 1 0 347.462 4.470 50 0 EIAARO CCCCN1C(=O)C2=C(CCCC2)[C@H]1[NH2+][C@@H](C)CCc1ccccc1 ZINC000019907711 212082107 /nfs/dbraw/zinc/08/21/07/212082107.db2.gz PILDCWFKZJVIIB-UWJYYQICSA-N 1 0 340.511 4.436 50 0 EIAARO C[N@@H+]1CCc2c(sc3nc(=S)[nH]c(Nc4ccccc4)c23)C1 ZINC000019897359 212080573 /nfs/dbraw/zinc/08/05/73/212080573.db2.gz YRDSOMBZPCHVQZ-UHFFFAOYSA-N 1 0 328.466 4.085 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2OCCc3ccccc32)cc1C ZINC000019867238 212077345 /nfs/dbraw/zinc/07/73/45/212077345.db2.gz XIUSHVSKSCLZTK-OAQYLSRUSA-N 1 0 347.462 4.097 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)Cc2ncccc2C)cc1C ZINC000019774028 212064733 /nfs/dbraw/zinc/06/47/33/212064733.db2.gz CBACZDMNUFOHFW-KRWDZBQOSA-N 1 0 334.467 4.118 50 0 EIAARO Clc1ccccc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019771269 212062983 /nfs/dbraw/zinc/06/29/83/212062983.db2.gz NLPCUMAYTDJPMJ-UHFFFAOYSA-N 1 0 344.930 4.282 50 0 EIAARO C[N@@H+]1CCCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019537100 212040629 /nfs/dbraw/zinc/04/06/29/212040629.db2.gz WAQSRGPKTFZYCC-UHFFFAOYSA-N 1 0 332.532 4.125 50 0 EIAARO Fc1ccccc1CN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019360143 212021207 /nfs/dbraw/zinc/02/12/07/212021207.db2.gz UWHSNUUCVVHYKP-UHFFFAOYSA-N 1 0 334.438 4.297 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000019200324 212004579 /nfs/dbraw/zinc/00/45/79/212004579.db2.gz ZQZCSQMTZGBWFG-SFHVURJKSA-N 1 0 327.811 4.423 50 0 EIAARO O=C(c1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000019144198 212001460 /nfs/dbraw/zinc/00/14/60/212001460.db2.gz DTWVFQMWENAJRN-GOSISDBHSA-N 1 0 339.866 4.402 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016599303 211917609 /nfs/dbraw/zinc/91/76/09/211917609.db2.gz JWCUHSJXTXDQDA-MRXNPFEDSA-N 1 0 337.250 4.026 50 0 EIAARO CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000015831506 211857386 /nfs/dbraw/zinc/85/73/86/211857386.db2.gz LIRCLKQCUHTKNQ-HXUWFJFHSA-N 1 0 342.527 4.465 50 0 EIAARO CCC[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2)C[C@H]1[NH+](C)C ZINC000082109527 217469608 /nfs/dbraw/zinc/46/96/08/217469608.db2.gz DKCQLKIOZVKJNQ-WIYYLYMNSA-N 1 0 336.479 4.156 50 0 EIAARO O=C(Nc1ccccc1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000013721257 211620986 /nfs/dbraw/zinc/62/09/86/211620986.db2.gz RQWKKFZNTQLDCG-IBGZPJMESA-N 1 0 329.488 4.339 50 0 EIAARO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1 ZINC000012584828 211416711 /nfs/dbraw/zinc/41/67/11/211416711.db2.gz NAPKOFMVFHYAKB-AWEZNQCLSA-N 1 0 339.414 4.179 50 0 EIAARO Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)cnn1-c1cccc(F)c1 ZINC000012478351 211392057 /nfs/dbraw/zinc/39/20/57/211392057.db2.gz IVOBDYVSOPXRJP-LBPRGKRZSA-N 1 0 345.368 4.449 50 0 EIAARO Cc1ccc2c(C)nc(N3CCC[C@@H]([NH2+]C4CCCC4)CC3)nc2c1 ZINC000012454482 211387268 /nfs/dbraw/zinc/38/72/68/211387268.db2.gz NWQDTIHXYJQQLT-GOSISDBHSA-N 1 0 338.499 4.138 50 0 EIAARO CC(C)c1noc(CCC[NH2+]Cc2ccc(Cl)c3cccnc23)n1 ZINC000089893635 217873777 /nfs/dbraw/zinc/87/37/77/217873777.db2.gz FLSYXSCGBYBEGK-UHFFFAOYSA-N 1 0 344.846 4.117 50 0 EIAARO Cc1c(C)n(Cc2ccncc2)c2[nH+]c3c(c(N)c12)CCCCCC3 ZINC000012324667 211348157 /nfs/dbraw/zinc/34/81/57/211348157.db2.gz XDAOHZSQMJZNDL-UHFFFAOYSA-N 1 0 334.467 4.338 50 0 EIAARO Cc1c(C)n(Cc2cccnc2)c2[nH+]c3c(c(N)c12)CCCCCC3 ZINC000012324377 211347447 /nfs/dbraw/zinc/34/74/47/211347447.db2.gz WGULLWUUJYHJPW-UHFFFAOYSA-N 1 0 334.467 4.338 50 0 EIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2C)oc1C ZINC000012315296 211343361 /nfs/dbraw/zinc/34/33/61/211343361.db2.gz QZKLBYVMKOOGPT-QGZVFWFLSA-N 1 0 328.456 4.349 50 0 EIAARO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000012306438 211342823 /nfs/dbraw/zinc/34/28/23/211342823.db2.gz IMAMXMWDWGJOIV-GOSISDBHSA-N 1 0 336.479 4.474 50 0 EIAARO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012308747 211342051 /nfs/dbraw/zinc/34/20/51/211342051.db2.gz ZZMALWGNQHXQDP-INIZCTEOSA-N 1 0 328.843 4.138 50 0 EIAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]C1CCSCC1 ZINC000012303929 211339107 /nfs/dbraw/zinc/33/91/07/211339107.db2.gz GDWKZICQANJKSQ-OAHLLOKOSA-N 1 0 348.560 4.102 50 0 EIAARO CC[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1F ZINC000012192925 211315532 /nfs/dbraw/zinc/31/55/32/211315532.db2.gz IGNYMMFIMJRHLT-UHFFFAOYSA-N 1 0 339.414 4.139 50 0 EIAARO COc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012027842 211281576 /nfs/dbraw/zinc/28/15/76/211281576.db2.gz XXSAZYMLNJODET-QGZVFWFLSA-N 1 0 343.854 4.444 50 0 EIAARO OCC1(Cc2ccccc2Cl)CC[NH+](CCc2ccccc2)CC1 ZINC000011954613 211273846 /nfs/dbraw/zinc/27/38/46/211273846.db2.gz RLWFNIDPTPYCJY-UHFFFAOYSA-N 1 0 343.898 4.200 50 0 EIAARO CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000011817411 211250962 /nfs/dbraw/zinc/25/09/62/211250962.db2.gz PREMIGFXQTXXKZ-GOSISDBHSA-N 1 0 339.439 4.077 50 0 EIAARO CC[C@H](c1cccnc1)[N@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091706638 218050905 /nfs/dbraw/zinc/05/09/05/218050905.db2.gz BRZXVUCDZWCHHC-QGZVFWFLSA-N 1 0 341.842 4.160 50 0 EIAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000011789667 211248767 /nfs/dbraw/zinc/24/87/67/211248767.db2.gz BTCAZSBHECJVBP-QGZVFWFLSA-N 1 0 336.483 4.469 50 0 EIAARO Clc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2-c1ccccn1 ZINC000011668247 211233725 /nfs/dbraw/zinc/23/37/25/211233725.db2.gz BRZGPYZGYRKNEZ-KRWDZBQOSA-N 1 0 338.842 4.088 50 0 EIAARO CCc1nn2c(nc(C)cc2Nc2cc[nH+]cc2)c1-c1ccccc1 ZINC000010383696 211168861 /nfs/dbraw/zinc/16/88/61/211168861.db2.gz HDRFYWKJBXFAEJ-UHFFFAOYSA-N 1 0 329.407 4.406 50 0 EIAARO C[C@]1([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCCc2ccccc21 ZINC000095397861 218330948 /nfs/dbraw/zinc/33/09/48/218330948.db2.gz WZUFCTKSOZDLLX-NRFANRHFSA-N 1 0 335.426 4.353 50 0 EIAARO CC(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)cc3cccnc32)c1 ZINC000095418506 218358200 /nfs/dbraw/zinc/35/82/00/218358200.db2.gz CVUVAPRWRFTYCS-UHFFFAOYSA-N 1 0 339.826 4.136 50 0 EIAARO CSCC[C@H]([NH2+][C@H](C)c1cccc(C)c1)c1nnc2ccccn21 ZINC000095419560 218359546 /nfs/dbraw/zinc/35/95/46/218359546.db2.gz KVQVFBJSCAZXGB-WBVHZDCISA-N 1 0 340.496 4.183 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(NC(=O)NC2CC2)cc1 ZINC000095419568 218359686 /nfs/dbraw/zinc/35/96/86/218359686.db2.gz SONTWINKMISDTL-JLTOFOAXSA-N 1 0 335.451 4.309 50 0 EIAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 ZINC000095419434 218359829 /nfs/dbraw/zinc/35/98/29/218359829.db2.gz YKLOBPSZXMXIHS-MGPUTAFESA-N 1 0 348.450 4.004 50 0 EIAARO Cc1cc([C@H](C)[NH2+]Cc2ccc(Cn3ccnc3)cc2)c(C)s1 ZINC000095420150 218360564 /nfs/dbraw/zinc/36/05/64/218360564.db2.gz TUTAHXJJZZATQT-HNNXBMFYSA-N 1 0 325.481 4.461 50 0 EIAARO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2oc3ccccc3c2C)cn1 ZINC000095420606 218361874 /nfs/dbraw/zinc/36/18/74/218361874.db2.gz YZNYARXSLRGDRB-HNNXBMFYSA-N 1 0 346.434 4.481 50 0 EIAARO Cc1csc(N2CCC([NH2+][C@@H](c3ncccc3C)C(C)C)CC2)n1 ZINC000095422481 218365076 /nfs/dbraw/zinc/36/50/76/218365076.db2.gz UPGFNWZJPUPBFM-QGZVFWFLSA-N 1 0 344.528 4.111 50 0 EIAARO CSC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000095423532 218366417 /nfs/dbraw/zinc/36/64/17/218366417.db2.gz SSCZKMBUFLZEBG-LLVKDONJSA-N 1 0 348.434 4.154 50 0 EIAARO Cc1nccn1CCCCOC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000095454639 218398531 /nfs/dbraw/zinc/39/85/31/218398531.db2.gz VZOBKCZABLZUCE-UHFFFAOYSA-N 1 0 346.858 4.290 50 0 EIAARO Fc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3nccs3)CC1)CCS2 ZINC000095972819 218477686 /nfs/dbraw/zinc/47/76/86/218477686.db2.gz UJFUUQKGDPPHPT-HNNXBMFYSA-N 1 0 349.500 4.078 50 0 EIAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H](O)Cc1ccccc1 ZINC000005051355 210375904 /nfs/dbraw/zinc/37/59/04/210375904.db2.gz GEUQJHGDWUFPCL-DYESRHJHSA-N 1 0 334.463 4.047 50 0 EIAARO FC(F)(F)c1cccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000004989401 210351381 /nfs/dbraw/zinc/35/13/81/210351381.db2.gz ZCZCAJIXYAHDAP-UHFFFAOYSA-N 1 0 348.412 4.460 50 0 EIAARO COc1ccc(CC[NH2+][C@H](C)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000004986017 210350140 /nfs/dbraw/zinc/35/01/40/210350140.db2.gz QBWVCTNWZKFBEE-CQSZACIVSA-N 1 0 337.385 4.477 50 0 EIAARO CCCC[NH+](CCCC)CCNC(=O)Nc1ccc(OCC)cc1 ZINC000004908477 210319836 /nfs/dbraw/zinc/31/98/36/210319836.db2.gz AWYVEPKNYWZIKU-UHFFFAOYSA-N 1 0 335.492 4.109 50 0 EIAARO C[C@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(Br)cc1 ZINC000007043340 208573960 /nfs/dbraw/zinc/57/39/60/208573960.db2.gz RVTAJXOYTPIHQA-LBPRGKRZSA-N 1 0 339.277 4.089 50 0 EIAARO COc1ccc([C@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000004772784 210275643 /nfs/dbraw/zinc/27/56/43/210275643.db2.gz MYLHJWVTMYGUNH-NQIIRXRSSA-N 1 0 343.442 4.137 50 0 EIAARO CCOc1ccc(CN2CCC([N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004745722 210268637 /nfs/dbraw/zinc/26/86/37/210268637.db2.gz KGURGDPFABWGJD-HDICACEKSA-N 1 0 330.516 4.028 50 0 EIAARO Cc1ccc([C@@H](C)CC[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)o1 ZINC000097570878 219035685 /nfs/dbraw/zinc/03/56/85/219035685.db2.gz WHRFFOWZKQGMFJ-AWEZNQCLSA-N 1 0 343.471 4.297 50 0 EIAARO Cc1ccc(-c2cnn(-c3ccc(C(N)=[NH2+])c(C(F)(F)F)c3)c2)cc1 ZINC000328596965 258042725 /nfs/dbraw/zinc/04/27/25/258042725.db2.gz BXLRSNPCWQFBEC-UHFFFAOYSA-N 1 0 344.340 4.151 50 0 EIAARO CC[N@H+](C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1CCCCC1 ZINC000006939069 258052692 /nfs/dbraw/zinc/05/26/92/258052692.db2.gz UXWBZOSDJIYNIY-HNAYVOBHSA-N 1 0 339.907 4.433 50 0 EIAARO O=C(Nc1nc2ccccc2s1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000078269111 258065555 /nfs/dbraw/zinc/06/55/55/258065555.db2.gz BXAZJHANMUVNCG-UHFFFAOYSA-N 1 0 337.448 4.144 50 0 EIAARO C[C@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000299756310 258074721 /nfs/dbraw/zinc/07/47/21/258074721.db2.gz LLYLYNXRQQHOLD-HNNXBMFYSA-N 1 0 341.430 4.051 50 0 EIAARO C[N@H+](CCO)Cc1cc(NCc2ccc(Cl)s2)ccc1Cl ZINC000225836188 536391887 /nfs/dbraw/zinc/39/18/87/536391887.db2.gz IRUJBQPGRBLBSU-UHFFFAOYSA-N 1 0 345.295 4.091 50 0 EIAARO CC(C)c1cc(Br)ccc1OCC[C@@H]1CCC[NH2+]C1 ZINC000042770416 563924871 /nfs/dbraw/zinc/92/48/71/563924871.db2.gz DUDNVADZCHQUPT-ZDUSSCGKSA-N 1 0 326.278 4.341 50 0 EIAARO CC(C)(C)c1cc(Br)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042774664 563924924 /nfs/dbraw/zinc/92/49/24/563924924.db2.gz JAXODGNNAZPDAG-GFCCVEGCSA-N 1 0 326.278 4.125 50 0 EIAARO C[N@H+]1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000000001624 563211353 /nfs/dbraw/zinc/21/13/53/563211353.db2.gz MXYUKLILVYORSK-HBMCJLEFSA-N 1 0 337.463 4.236 50 0 biogenic,world EIAARO CCN(CC)C(=O)c1ccc(C(c2ccccc2)=C2CC[NH2+]CC2)cc1 ZINC000000008813 563211476 /nfs/dbraw/zinc/21/14/76/563211476.db2.gz SMUGAZNLKPFBSB-UHFFFAOYSA-N 1 0 348.490 4.354 50 0 in-vitro EIAARO COc1ccc(CC[N@@H+](C)Cc2cc(C)c(OC)cc2C)cc1OC ZINC000000272884 563270012 /nfs/dbraw/zinc/27/00/12/563270012.db2.gz SJOBDGIIFFCCPD-UHFFFAOYSA-N 1 0 343.467 4.004 50 0 EIAARO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000000277201 563271043 /nfs/dbraw/zinc/27/10/43/563271043.db2.gz OQXFBZAEGKEXTG-MRXNPFEDSA-N 1 0 348.412 4.459 50 0 EIAARO CCCn1nc(C)c2c1nc1ccccc1c2NCC[NH+](CC)CC ZINC000000392085 563304200 /nfs/dbraw/zinc/30/42/00/563304200.db2.gz YVLYLZZGZQOOMV-UHFFFAOYSA-N 1 0 339.487 4.057 50 0 EIAARO O=C(c1ccc(C[NH+]2CCCC2)cc1)c1cccc(Br)c1 ZINC000002514559 563435586 /nfs/dbraw/zinc/43/55/86/563435586.db2.gz FQYIACAPGNKMJT-UHFFFAOYSA-N 1 0 344.252 4.276 50 0 EIAARO C[C@H](CCc1ccccc1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000003683591 563487534 /nfs/dbraw/zinc/48/75/34/563487534.db2.gz PZMZTAGLRGIETO-QGZVFWFLSA-N 1 0 328.887 4.483 50 0 EIAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCCc1ccccc1 ZINC000004935151 563515441 /nfs/dbraw/zinc/51/54/41/563515441.db2.gz DTZZCERBWWPNPB-UHFFFAOYSA-N 1 0 348.446 4.002 50 0 EIAARO FC(F)(F)c1cccc(N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000004981069 563516955 /nfs/dbraw/zinc/51/69/55/563516955.db2.gz CWJKBOKSRNLEFS-UHFFFAOYSA-N 1 0 326.406 4.408 50 0 EIAARO C[NH+]1CCC([C@H](O)c2ccccc2Sc2ccccc2F)CC1 ZINC000005525420 563536850 /nfs/dbraw/zinc/53/68/50/563536850.db2.gz GRKVHVAIJHJDTA-IBGZPJMESA-N 1 0 331.456 4.352 50 0 EIAARO COc1cccc2c(=O)c(C[NH+](CC(C)C)CC(C)C)c(C)[nH]c12 ZINC000008700875 563635710 /nfs/dbraw/zinc/63/57/10/563635710.db2.gz CFPUREXLKMITAN-UHFFFAOYSA-N 1 0 330.472 4.371 50 0 biogenic EIAARO CCOC(=O)C1CC[NH+](Cc2cc(C(C)C)c(O)c(C(C)C)c2)CC1 ZINC000012859798 563676048 /nfs/dbraw/zinc/67/60/48/563676048.db2.gz KOFRYHLEOWESOL-UHFFFAOYSA-N 1 0 347.499 4.414 50 0 EIAARO CCc1ccccc1NC(=O)C[NH2+]CCSc1ccc(C)c(C)c1 ZINC000032679565 563681571 /nfs/dbraw/zinc/68/15/71/563681571.db2.gz GUKKRHKKAKCHCY-UHFFFAOYSA-N 1 0 342.508 4.186 50 0 EIAARO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000012986145 563681913 /nfs/dbraw/zinc/68/19/13/563681913.db2.gz PYBUIPIJBCMQFU-OAHLLOKOSA-N 1 0 336.410 4.438 50 0 EIAARO O=C(Nc1ccc(Cl)cc1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000013728852 563719139 /nfs/dbraw/zinc/71/91/39/563719139.db2.gz NKHFWIBGYRISRK-KRWDZBQOSA-N 1 0 335.879 4.212 50 0 EIAARO CCC[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000032801798 563738769 /nfs/dbraw/zinc/73/87/69/563738769.db2.gz RZRHSCDDUOKVNU-QGZVFWFLSA-N 1 0 331.504 4.136 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2Cl)cc1 ZINC000014185813 563748557 /nfs/dbraw/zinc/74/85/57/563748557.db2.gz SRTFATXEAYWCEQ-UHFFFAOYSA-N 1 0 330.859 4.112 50 0 EIAARO CCOc1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000014953482 563768025 /nfs/dbraw/zinc/76/80/25/563768025.db2.gz LKKNAWQEOZMPDB-INIZCTEOSA-N 1 0 335.451 4.430 50 0 EIAARO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccnc2)cc1C ZINC000015063693 563774284 /nfs/dbraw/zinc/77/42/84/563774284.db2.gz FVOCSFKAOJMJHE-FQEVSTJZSA-N 1 0 332.451 4.051 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H](C)CCCC(C)(C)O)cc1C ZINC000015065939 563775113 /nfs/dbraw/zinc/77/51/13/563775113.db2.gz YFAQXHGTSZPHNN-INIZCTEOSA-N 1 0 329.488 4.113 50 0 EIAARO COC(=O)c1ccc(C[N@H+](C)Cc2ccc3cc(OC)ccc3c2)cc1 ZINC000015370239 563783872 /nfs/dbraw/zinc/78/38/72/563783872.db2.gz ALBNLQQSLYPROP-UHFFFAOYSA-N 1 0 349.430 4.267 50 0 EIAARO Clc1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1 ZINC000016399543 563810537 /nfs/dbraw/zinc/81/05/37/563810537.db2.gz MAHCHKDKEKHBON-LJQANCHMSA-N 1 0 331.843 4.188 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000016599341 563815755 /nfs/dbraw/zinc/81/57/55/563815755.db2.gz LOEHGLINQRDGFM-MRXNPFEDSA-N 1 0 337.250 4.026 50 0 EIAARO Cc1cccc(C[NH+]2CCC(C(=O)NCCC3=CCCCC3)CC2)c1 ZINC000016606501 563817300 /nfs/dbraw/zinc/81/73/00/563817300.db2.gz LCEPOBLSRKEYSX-UHFFFAOYSA-N 1 0 340.511 4.214 50 0 EIAARO CCc1cccc(CC)c1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043340911 563864387 /nfs/dbraw/zinc/86/43/87/563864387.db2.gz NEFZGUKKMXWADK-MRXNPFEDSA-N 1 0 345.512 4.297 50 0 EIAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1OC(F)F ZINC000025259486 563882515 /nfs/dbraw/zinc/88/25/15/563882515.db2.gz HLJVZBXGTADSOD-UHFFFAOYSA-N 1 0 346.377 4.110 50 0 EIAARO COc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222508 563894849 /nfs/dbraw/zinc/89/48/49/563894849.db2.gz VTMURGWGJZTGJW-OAQYLSRUSA-N 1 0 347.462 4.107 50 0 EIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1cccs1 ZINC000027662526 563898159 /nfs/dbraw/zinc/89/81/59/563898159.db2.gz GJQBEWANIDLFDQ-CQSZACIVSA-N 1 0 334.510 4.157 50 0 EIAARO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662571 563898406 /nfs/dbraw/zinc/89/84/06/563898406.db2.gz TYMVPQCFKSWLKQ-SFHVURJKSA-N 1 0 342.508 4.404 50 0 EIAARO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000029483312 563906842 /nfs/dbraw/zinc/90/68/42/563906842.db2.gz ZSYSLPDIBGIQLC-QGZVFWFLSA-N 1 0 348.368 4.263 50 0 EIAARO Clc1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 ZINC000029828996 563908703 /nfs/dbraw/zinc/90/87/03/563908703.db2.gz NAUKXAYEYYKPNS-CQSZACIVSA-N 1 0 327.815 4.256 50 0 EIAARO c1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000030545248 563909967 /nfs/dbraw/zinc/90/99/67/563909967.db2.gz IGOYFWCTVJTUJA-OAQYLSRUSA-N 1 0 346.430 4.274 50 0 EIAARO c1coc([C@H](CC[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000001788853 563917944 /nfs/dbraw/zinc/91/79/44/563917944.db2.gz BTMQQUHOGLPASQ-GOSISDBHSA-N 1 0 335.403 4.320 50 0 biogenic EIAARO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2CC(C)C)C1 ZINC000042484225 563924708 /nfs/dbraw/zinc/92/47/08/563924708.db2.gz VCJAUMOYJLFSEV-GOSISDBHSA-N 1 0 341.499 4.387 50 0 EIAARO Brc1cc(-c2ccccc2)ccc1OC[C@@H]1CCC[NH2+]C1 ZINC000042774744 563924938 /nfs/dbraw/zinc/92/49/38/563924938.db2.gz ATPAZUVNAOIACA-CQSZACIVSA-N 1 0 346.268 4.495 50 0 EIAARO Clc1ccc(OCC[NH2+]Cc2ccccc2)c(Br)c1 ZINC000002823786 563932558 /nfs/dbraw/zinc/93/25/58/563932558.db2.gz YWFIICMURPDVQE-UHFFFAOYSA-N 1 0 340.648 4.271 50 0 EIAARO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](C(F)(F)F)C2)c(C)c1 ZINC000033039540 563933048 /nfs/dbraw/zinc/93/30/48/563933048.db2.gz XXPZMIDMEJXTEW-HUUCEWRRSA-N 1 0 342.405 4.213 50 0 EIAARO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000033040097 563933185 /nfs/dbraw/zinc/93/31/85/563933185.db2.gz FDAGOXUGRCZJLJ-STQMWFEESA-N 1 0 334.822 4.465 50 0 EIAARO C[C@H]([NH2+]CCSc1ccccc1F)c1ccc([S@@](C)=O)cc1 ZINC000095422370 563935107 /nfs/dbraw/zinc/93/51/07/563935107.db2.gz FPUVJCGXPANCRG-XMHCIUCPSA-N 1 0 337.485 4.006 50 0 EIAARO Clc1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)cc1 ZINC000057354897 563935585 /nfs/dbraw/zinc/93/55/85/563935585.db2.gz ORTSOOMFCFDSQP-UHFFFAOYSA-N 1 0 328.799 4.164 50 0 EIAARO O=C(Nc1cccc(Cl)c1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000057530826 563935737 /nfs/dbraw/zinc/93/57/37/563935737.db2.gz YKDWVXLDJRDJQF-UHFFFAOYSA-N 1 0 349.887 4.188 50 0 EIAARO CC(C)C[C@@H](NC(=O)C[N@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000060367766 563935788 /nfs/dbraw/zinc/93/57/88/563935788.db2.gz FSONITRSWBUOPV-MRXNPFEDSA-N 1 0 344.421 4.249 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000058014237 563936613 /nfs/dbraw/zinc/93/66/13/563936613.db2.gz UIQMSGQVYZXARC-IXDOHACOSA-N 1 0 332.513 4.066 50 0 EIAARO CCSc1ccccc1NC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000058086297 563937329 /nfs/dbraw/zinc/93/73/29/563937329.db2.gz HXRBXRQFAHKCOM-KRWDZBQOSA-N 1 0 349.544 4.431 50 0 EIAARO C[C@H]([NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(F)cc1 ZINC000058160725 563938294 /nfs/dbraw/zinc/93/82/94/563938294.db2.gz QHHFMZFAABDEIK-AWEZNQCLSA-N 1 0 328.431 4.413 50 0 EIAARO CSc1cccc(NC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000058330753 563942800 /nfs/dbraw/zinc/94/28/00/563942800.db2.gz PWFPMZFUHZYLAM-KDOFPFPSSA-N 1 0 335.517 4.041 50 0 EIAARO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000058345326 563943264 /nfs/dbraw/zinc/94/32/64/563943264.db2.gz VLOQQAOSZMHKHR-KXBFYZLASA-N 1 0 342.870 4.182 50 0 EIAARO CCN(CC)C(=O)C1CC[NH+]([C@@H](C)c2cccc3ccccc32)CC1 ZINC000058524169 563946693 /nfs/dbraw/zinc/94/66/93/563946693.db2.gz XAHFJJHOTJMJOB-KRWDZBQOSA-N 1 0 338.495 4.481 50 0 EIAARO O=Cc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)[C@H]3CCC1 ZINC000058981004 563947468 /nfs/dbraw/zinc/94/74/68/563947468.db2.gz CJKDEKOSYBTXAM-NRFANRHFSA-N 1 0 330.431 4.347 50 0 EIAARO C[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000065385699 563959258 /nfs/dbraw/zinc/95/92/58/563959258.db2.gz GBFBXUZIJASNEH-INIZCTEOSA-N 1 0 345.446 4.471 50 0 EIAARO CCc1ccc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)nc1 ZINC000065387359 563959383 /nfs/dbraw/zinc/95/93/83/563959383.db2.gz KVBLYPBQAPGCSX-FQEVSTJZSA-N 1 0 344.462 4.091 50 0 EIAARO Cc1cc(-c2ccc([C@@H](C)[NH+]3CCCCC3)cc2)cnc1-n1cnnc1 ZINC000065503453 563961718 /nfs/dbraw/zinc/96/17/18/563961718.db2.gz HTYRXLSCBSJEIM-QGZVFWFLSA-N 1 0 347.466 4.185 50 0 EIAARO CCN(C)c1ccc(-c2c(-c3ccccc3)ncn2CCC[NH2+]C)cc1 ZINC000065536038 563961965 /nfs/dbraw/zinc/96/19/65/563961965.db2.gz HXGFCULJEOAQBH-UHFFFAOYSA-N 1 0 348.494 4.283 50 0 EIAARO FC(F)(F)c1ccccc1CC[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000071639358 563964635 /nfs/dbraw/zinc/96/46/35/563964635.db2.gz RFOFOUQVOFJCTC-CQSZACIVSA-N 1 0 337.389 4.273 50 0 EIAARO CCc1cc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)on1 ZINC000075448557 563967313 /nfs/dbraw/zinc/96/73/13/563967313.db2.gz OTJKULHEWCTKJK-GOSISDBHSA-N 1 0 336.439 4.273 50 0 EIAARO Cc1cc(-c2nnc(C[NH2+][C@H](C)[C@@H](C)c3ccccc3)o2)c(C)o1 ZINC000097110001 563968017 /nfs/dbraw/zinc/96/80/17/563968017.db2.gz WLSVMDUXWMXXQJ-ZIAGYGMSSA-N 1 0 325.412 4.228 50 0 EIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000077407996 563969502 /nfs/dbraw/zinc/96/95/02/563969502.db2.gz ONLSHIILBNWDOY-KRWDZBQOSA-N 1 0 328.481 4.177 50 0 EIAARO COCCC[C@H]1CCC[N@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000077456525 563969763 /nfs/dbraw/zinc/96/97/63/563969763.db2.gz SIDDZSXCBCLAFZ-QGZVFWFLSA-N 1 0 331.504 4.163 50 0 EIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)Cc2cccs2)cc1 ZINC000077469991 563969846 /nfs/dbraw/zinc/96/98/46/563969846.db2.gz NHZPFAVJOMSYAJ-LJQANCHMSA-N 1 0 342.508 4.106 50 0 EIAARO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(C(=O)OC)cc3)c2c1 ZINC000000071883 563974404 /nfs/dbraw/zinc/97/44/04/563974404.db2.gz XQKFHGOIIFFBBZ-UHFFFAOYSA-N 1 0 336.391 4.472 50 0 EIAARO Cc1c[nH+]ccc1N1CCC(c2nccn2Cc2ccccc2)CC1 ZINC000095530581 563977544 /nfs/dbraw/zinc/97/75/44/563977544.db2.gz OBEANEBYBFKNHH-UHFFFAOYSA-N 1 0 332.451 4.019 50 0 EIAARO Cc1cccc2[nH]c([C@H]3CCC[N@@H+](Cc4cncn4C(C)C)C3)nc21 ZINC000097212974 563981416 /nfs/dbraw/zinc/98/14/16/563981416.db2.gz NVQFZQPJPDQMQM-INIZCTEOSA-N 1 0 337.471 4.028 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1OC ZINC000000172201 563987572 /nfs/dbraw/zinc/98/75/72/563987572.db2.gz PCMKXACBKLWXOV-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO CC1(C)CC(NC(=O)c2ccc(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC000000178497 563987764 /nfs/dbraw/zinc/98/77/64/563987764.db2.gz LRBSJNXQSWXUMT-UHFFFAOYSA-N 1 0 329.271 4.032 50 0 EIAARO CC(C)[N@H+](C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000000260958 563989917 /nfs/dbraw/zinc/98/99/17/563989917.db2.gz KXGAEFODVOZHIL-UHFFFAOYSA-N 1 0 344.286 4.330 50 0 EIAARO CCCc1nc2ccccc2c(NC(=O)C[NH+](CC)CC)c1CC ZINC000000333850 563991307 /nfs/dbraw/zinc/99/13/07/563991307.db2.gz OCHXIODXGOFKQR-UHFFFAOYSA-N 1 0 327.472 4.030 50 0 biogenic EIAARO CC(C)(C)C1CCC(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000000351993 563991562 /nfs/dbraw/zinc/99/15/62/563991562.db2.gz BTENAPPNXJUXRF-NYLDSWQDSA-N 1 0 345.527 4.027 50 0 EIAARO c1cc2c(s1)CCN(c1ccc(NCC3CCOCC3)cc1)C2 ZINC000127579629 563996013 /nfs/dbraw/zinc/99/60/13/563996013.db2.gz OKKXTDHSILYLED-UHFFFAOYSA-N 1 0 328.481 4.149 50 0 EIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1 ZINC000252438241 563997607 /nfs/dbraw/zinc/99/76/07/563997607.db2.gz JTFAPYUEBOLXAA-JBYOPCTKSA-N 1 0 333.516 4.176 50 0 EIAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(F)c(C)c2)c(C)n1O ZINC000136088948 564000101 /nfs/dbraw/zinc/00/01/01/564000101.db2.gz VXJDRYYSWLYIQP-UHFFFAOYSA-N 1 0 339.390 4.292 50 0 EIAARO c1ccc(CC[NH+]2CCN(c3c4c(cc5c3CCC5)CCC4)CC2)cc1 ZINC000005395055 564005898 /nfs/dbraw/zinc/00/58/98/564005898.db2.gz BERMKHNFBDQWLR-UHFFFAOYSA-N 1 0 346.518 4.029 50 0 EIAARO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCCCC2)sc1-c1ccccc1 ZINC000526052383 564007214 /nfs/dbraw/zinc/00/72/14/564007214.db2.gz GUNUPZINOXOFMF-INIZCTEOSA-N 1 0 342.508 4.328 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccc(OC)c3ccccc23)c(OC)c1 ZINC000000172170 564012167 /nfs/dbraw/zinc/01/21/67/564012167.db2.gz JHQZCGQCIWITRJ-UHFFFAOYSA-N 1 0 337.419 4.155 50 0 EIAARO CC(C)Oc1ccc(C(=O)OCC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000000519074 564020503 /nfs/dbraw/zinc/02/05/03/564020503.db2.gz FMEJIPSHYUISGF-FXAWDEMLSA-N 1 0 345.483 4.285 50 0 EIAARO COCC[C@H]([NH2+]Cc1cncs1)c1ccc(Cl)c(Cl)c1 ZINC000341269649 564022399 /nfs/dbraw/zinc/02/23/99/564022399.db2.gz MBIKWYRLDBVKOF-AWEZNQCLSA-N 1 0 331.268 4.317 50 0 EIAARO COc1ccc(Oc2ccc(C[NH2+]Cc3ccc(F)cc3)cn2)cc1 ZINC000047720011 564029671 /nfs/dbraw/zinc/02/96/71/564029671.db2.gz ZROMURWGUBCKDJ-UHFFFAOYSA-N 1 0 338.382 4.311 50 0 EIAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)cc1C ZINC000022876348 564030850 /nfs/dbraw/zinc/03/08/50/564030850.db2.gz JBVBLQNLYNAOND-IFMALSPDSA-N 1 0 342.527 4.233 50 0 EIAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC[C@H]2CC)cc1 ZINC000048332873 564031073 /nfs/dbraw/zinc/03/10/73/564031073.db2.gz OUMBSRGZPCIPGD-UYAOXDASSA-N 1 0 344.499 4.013 50 0 EIAARO C[N@H+](CCCc1nc(-c2cccs2)no1)Cc1ccc(F)c(F)c1 ZINC000032760739 564036200 /nfs/dbraw/zinc/03/62/00/564036200.db2.gz AVTASEVBKHGQAD-UHFFFAOYSA-N 1 0 349.406 4.141 50 0 EIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cl)s1 ZINC000033023433 564036378 /nfs/dbraw/zinc/03/63/78/564036378.db2.gz RAHQQVSVPKPCFN-UHFFFAOYSA-N 1 0 340.920 4.320 50 0 EIAARO COc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1Br ZINC000025357174 564037206 /nfs/dbraw/zinc/03/72/06/564037206.db2.gz IGYOFPABDNLUSZ-HNNXBMFYSA-N 1 0 348.240 4.071 50 0 EIAARO C[C@@H](c1ccccn1)[N@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000225514902 564047460 /nfs/dbraw/zinc/04/74/60/564047460.db2.gz HXMFEOSWDLRNJD-HNNXBMFYSA-N 1 0 335.492 4.110 50 0 EIAARO COc1ccc(Cn2cc(-c3ccc(C[NH+]4CCCC4)cc3)cn2)cc1 ZINC000426641475 564051422 /nfs/dbraw/zinc/05/14/22/564051422.db2.gz HMZPNPNZESDHTA-UHFFFAOYSA-N 1 0 347.462 4.203 50 0 EIAARO CO[C@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000240465948 564051743 /nfs/dbraw/zinc/05/17/43/564051743.db2.gz GBQRYXNVUHHKSJ-OAQYLSRUSA-N 1 0 325.452 4.055 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000006008111 564057585 /nfs/dbraw/zinc/05/75/85/564057585.db2.gz YYTKDJBCMXAENE-STQMWFEESA-N 1 0 330.453 4.017 50 0 EIAARO CCCOc1ccc([C@H](O)[C@@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001817884 564057885 /nfs/dbraw/zinc/05/78/85/564057885.db2.gz PRFDGICCQOULOE-VXKWHMMOSA-N 1 0 339.479 4.388 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl ZINC000012553162 564059211 /nfs/dbraw/zinc/05/92/11/564059211.db2.gz DZPQCKKIYSLPAB-BZNIZROVSA-N 1 0 332.806 4.083 50 0 EIAARO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120885131 564060545 /nfs/dbraw/zinc/06/05/45/564060545.db2.gz PBFIIQNKTHMLBE-ZFWWWQNUSA-N 1 0 339.439 4.070 50 0 EIAARO COc1ccc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)cc1CO ZINC000534581971 564061122 /nfs/dbraw/zinc/06/11/22/564061122.db2.gz XOFZFCLFMQABPB-INIZCTEOSA-N 1 0 325.452 4.401 50 0 EIAARO Cc1cc(-c2ccc(C(=O)N(C)C[C@@H]3CCCC[N@@H+]3C)cc2)cs1 ZINC000534585907 564061143 /nfs/dbraw/zinc/06/11/43/564061143.db2.gz ZUWGRYAEOREWEQ-IBGZPJMESA-N 1 0 342.508 4.280 50 0 EIAARO Clc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000084525545 564068480 /nfs/dbraw/zinc/06/84/80/564068480.db2.gz QRXYHRNAZWUYMO-MRXNPFEDSA-N 1 0 329.827 4.101 50 0 EIAARO C[S@@](=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000085298487 564072421 /nfs/dbraw/zinc/07/24/21/564072421.db2.gz OUHROZZAPCETEG-DHLKQENFSA-N 1 0 349.499 4.498 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1csc2ccccc21 ZINC000085313460 564072674 /nfs/dbraw/zinc/07/26/74/564072674.db2.gz GIJUIGHJKVNOFQ-DMZKTXOQSA-N 1 0 329.490 4.490 50 0 EIAARO COCC[C@@H]([NH2+]Cc1cncs1)c1ccc(Cl)c(Cl)c1 ZINC000341269650 564072840 /nfs/dbraw/zinc/07/28/40/564072840.db2.gz MBIKWYRLDBVKOF-CQSZACIVSA-N 1 0 331.268 4.317 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000001473417 564073697 /nfs/dbraw/zinc/07/36/97/564073697.db2.gz KFETYTDHVXYSQF-IUODEOHRSA-N 1 0 340.250 4.084 50 0 EIAARO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664064 564082895 /nfs/dbraw/zinc/08/28/95/564082895.db2.gz QQSBFCYTIJKPHG-JKSUJKDBSA-N 1 0 349.434 4.034 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000575618700 564083677 /nfs/dbraw/zinc/08/36/77/564083677.db2.gz BCCPPEVFRHGGOM-MRXNPFEDSA-N 1 0 342.826 4.119 50 0 EIAARO CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc2cc(OC)ccc2c1 ZINC000090455299 564084405 /nfs/dbraw/zinc/08/44/05/564084405.db2.gz RPHKIPVTOCSYTP-UYAOXDASSA-N 1 0 335.451 4.170 50 0 EIAARO CC(C)[NH+](CCNC(=O)C(c1ccccc1)c1ccccc1)C(C)C ZINC000001888460 564089141 /nfs/dbraw/zinc/08/91/41/564089141.db2.gz GSCHLPMNNOMSNR-UHFFFAOYSA-N 1 0 338.495 4.054 50 0 EIAARO C[N@@H+](CC/C=C1/c2ccccc2CSc2ccccc21)CCCO ZINC000002049823 564093392 /nfs/dbraw/zinc/09/33/92/564093392.db2.gz VLAPRQOFMVJAIG-ODLFYWEKSA-N 1 0 339.504 4.428 50 0 EIAARO COc1cccc(OCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624456 564094635 /nfs/dbraw/zinc/09/46/35/564094635.db2.gz ITNCHSZVTBOMMN-OAQYLSRUSA-N 1 0 340.467 4.476 50 0 biogenic EIAARO CCCCC[NH2+][C@@H](C)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000006648431 564095290 /nfs/dbraw/zinc/09/52/90/564095290.db2.gz XRSDIKQKWLGQFQ-ZDUSSCGKSA-N 1 0 341.480 4.492 50 0 EIAARO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COCc2ccccc2)c1 ZINC000036100379 564096051 /nfs/dbraw/zinc/09/60/51/564096051.db2.gz ZGDWIOIAVVBZFJ-JOCHJYFZSA-N 1 0 341.495 4.031 50 0 EIAARO Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)COc2ccccc2C)c1 ZINC000036100405 564096145 /nfs/dbraw/zinc/09/61/45/564096145.db2.gz PIRJCTGMRISONP-OAQYLSRUSA-N 1 0 341.495 4.201 50 0 EIAARO CC(=O)c1c(F)cccc1-[n+]1ccn(Cc2c(C)cc(C)cc2C)c1 ZINC000065012698 564099589 /nfs/dbraw/zinc/09/95/89/564099589.db2.gz GILFMINYIQRTID-UHFFFAOYSA-N 1 0 337.418 4.080 50 0 EIAARO Clc1cnn(C2CC[NH+]([C@H]3CCCOc4ccccc43)CC2)c1 ZINC000170602822 564109430 /nfs/dbraw/zinc/10/94/30/564109430.db2.gz UTHDZCOOWJAMKJ-KRWDZBQOSA-N 1 0 331.847 4.087 50 0 EIAARO C[C@@H](Nc1ncnc2c(F)cccc12)c1cccc(-n2ccnc2)c1 ZINC000170606596 564109651 /nfs/dbraw/zinc/10/96/51/564109651.db2.gz ANCZUMIJAZINJR-CYBMUJFWSA-N 1 0 333.370 4.128 50 0 EIAARO FC(F)(F)c1cc(N2CC[NH+](C3CCCC3)CC2)c2ccccc2n1 ZINC000089866630 564114419 /nfs/dbraw/zinc/11/44/19/564114419.db2.gz HBGCYBOCVLEEKK-UHFFFAOYSA-N 1 0 349.400 4.318 50 0 EIAARO CC(C)c1ccc(NC(=S)NCC2([NH+](C)C)CCCCC2)cc1 ZINC000007583673 564117957 /nfs/dbraw/zinc/11/79/57/564117957.db2.gz FZDSKEVKJGVORD-UHFFFAOYSA-N 1 0 333.545 4.361 50 0 EIAARO Clc1ccc(-c2noc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000007590620 564117986 /nfs/dbraw/zinc/11/79/86/564117986.db2.gz BSYRCJUYJNQRAO-UKRRQHHQSA-N 1 0 331.847 4.402 50 0 EIAARO CC(C)c1noc([C@H](C)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000252536907 564120577 /nfs/dbraw/zinc/12/05/77/564120577.db2.gz JTCSSKWSNMLIMV-WMZOPIPTSA-N 1 0 344.503 4.000 50 0 EIAARO CC(C)CC[C@@H](CC[NH2+]C1CCN(C)CC1)c1ccc2c(c1)OCO2 ZINC000002208783 564121210 /nfs/dbraw/zinc/12/12/10/564121210.db2.gz PGDITDMWDRQRTE-KRWDZBQOSA-N 1 0 346.515 4.009 50 0 EIAARO COc1ccccc1C[C@H](C)[NH2+][C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000170669661 564121291 /nfs/dbraw/zinc/12/12/91/564121291.db2.gz FRCBQYITQVKREN-YWZLYKJASA-N 1 0 337.467 4.489 50 0 EIAARO C[NH+](C)CCCSc1nc(-c2ccccc2)nc2c1CCCC2 ZINC000002211588 564122768 /nfs/dbraw/zinc/12/27/68/564122768.db2.gz XGCIMJYYDLENBR-UHFFFAOYSA-N 1 0 327.497 4.066 50 0 EIAARO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000007850041 564124249 /nfs/dbraw/zinc/12/42/49/564124249.db2.gz JAXMCNBGGCIIKU-UHFFFAOYSA-N 1 0 336.479 4.219 50 0 EIAARO Clc1cccc(N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000000279939 564130172 /nfs/dbraw/zinc/13/01/72/564130172.db2.gz PAQSNDPTZXBCIT-UHFFFAOYSA-N 1 0 330.903 4.287 50 0 EIAARO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 ZINC000095422717 564140134 /nfs/dbraw/zinc/14/01/34/564140134.db2.gz HAKFTDFJQANIPA-BEFAXECRSA-N 1 0 339.439 4.086 50 0 EIAARO CCOc1cccc2cc([C@H](C)[NH2+]CC3([C@@H](O)C(C)C)CC3)oc21 ZINC000095463508 564140927 /nfs/dbraw/zinc/14/09/27/564140927.db2.gz VXEZLIGFOPPMRK-LIRRHRJNSA-N 1 0 331.456 4.279 50 0 EIAARO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccccc1C(C)(C)C ZINC000095467011 564141105 /nfs/dbraw/zinc/14/11/05/564141105.db2.gz XXAQJJMKSNYJEI-OAHLLOKOSA-N 1 0 331.504 4.178 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](C)c1ccsc1)c1cccc(N2CCOC2=O)c1 ZINC000095968802 564143285 /nfs/dbraw/zinc/14/32/85/564143285.db2.gz DWMLYWVSPXOKBK-ZIAGYGMSSA-N 1 0 330.453 4.159 50 0 EIAARO C[NH+](C)C[C@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000096027105 564144963 /nfs/dbraw/zinc/14/49/63/564144963.db2.gz FCGKOEFITHCRPJ-QHCPKHFHSA-N 1 0 345.486 4.343 50 0 EIAARO CC[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)c1ccccc1OC(F)F ZINC000096476582 564148462 /nfs/dbraw/zinc/14/84/62/564148462.db2.gz KJJGCEQDVCEFQJ-BLLLJJGKSA-N 1 0 335.398 4.497 50 0 EIAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cn2)C(C)C)cc1 ZINC000057322793 564153615 /nfs/dbraw/zinc/15/36/15/564153615.db2.gz UIENZIZHUFELDI-IBGZPJMESA-N 1 0 345.874 4.223 50 0 EIAARO C[C@@H]([NH2+]C(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000057406364 564153951 /nfs/dbraw/zinc/15/39/51/564153951.db2.gz UXSUILQKSDOEIC-QGZVFWFLSA-N 1 0 330.431 4.393 50 0 EIAARO Cc1ccc(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000058068771 564157393 /nfs/dbraw/zinc/15/73/93/564157393.db2.gz DAAXJELPQXBUED-UHFFFAOYSA-N 1 0 349.400 4.121 50 0 EIAARO COCc1cccc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000031620766 564159586 /nfs/dbraw/zinc/15/95/86/564159586.db2.gz QIWDRQVYJUZUHO-UHFFFAOYSA-N 1 0 338.451 4.071 50 0 EIAARO COc1ccc([C@]2(CC[NH2+]Cc3ccco3)CCOC(C)(C)C2)cc1 ZINC000032124295 564160924 /nfs/dbraw/zinc/16/09/24/564160924.db2.gz BHHCRSWSEUUBQK-OAQYLSRUSA-N 1 0 343.467 4.295 50 0 biogenic EIAARO CCCC[C@H](C(=O)Nc1ccc2c(c1)CCCCO2)[NH+](CC)CC ZINC000004311085 564161643 /nfs/dbraw/zinc/16/16/43/564161643.db2.gz BHYBAAIXRVBIQG-GOSISDBHSA-N 1 0 332.488 4.241 50 0 EIAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000008003820 564162065 /nfs/dbraw/zinc/16/20/65/564162065.db2.gz OADWDRGVDFXMNN-GOSISDBHSA-N 1 0 336.357 4.029 50 0 EIAARO COc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127134 564162859 /nfs/dbraw/zinc/16/28/59/564162859.db2.gz SQLVZRGBUYALHW-MRXNPFEDSA-N 1 0 348.446 4.307 50 0 EIAARO COc1ccc(OCCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000008742754 564167196 /nfs/dbraw/zinc/16/71/96/564167196.db2.gz UFWYUIILNHQFIM-OAQYLSRUSA-N 1 0 340.467 4.476 50 0 biogenic EIAARO C[NH+]1CCC(Nc2ccccc2NC(=O)c2ccccc2Cl)CC1 ZINC000069848358 564172522 /nfs/dbraw/zinc/17/25/22/564172522.db2.gz KSWULLHBNHIAIZ-UHFFFAOYSA-N 1 0 343.858 4.098 50 0 EIAARO Oc1cccc(C[NH2+]Cc2ccc(Cn3cnc4ccccc43)cc2)c1 ZINC000069869574 564172545 /nfs/dbraw/zinc/17/25/45/564172545.db2.gz AFPBXHWVZHTJCS-UHFFFAOYSA-N 1 0 343.430 4.080 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000042959965 564176041 /nfs/dbraw/zinc/17/60/41/564176041.db2.gz UXGCFCGUDFTRPG-STQMWFEESA-N 1 0 327.350 4.189 50 0 EIAARO CC(C)(C)c1oc(C(N)=O)cc1C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000077300060 564176678 /nfs/dbraw/zinc/17/66/78/564176678.db2.gz PHBTYEIIZMHLIW-HNNXBMFYSA-N 1 0 344.455 4.386 50 0 EIAARO CCS(=O)(=O)c1ccc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)s1 ZINC000426632853 568418825 /nfs/dbraw/zinc/41/88/25/568418825.db2.gz IOVORRUBBXYYDH-CQSZACIVSA-N 1 0 349.521 4.366 50 0 EIAARO COc1cc(OC)c(OC)cc1CN(C)Cc1cc2ccccc2o1 ZINC000135153634 1021052664 /nfs/dbraw/zinc/05/26/64/1021052664.db2.gz HNGSLWCTECRIBP-UHFFFAOYSA-N 1 0 341.407 4.091 50 0 EIAARO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000022146887 1021123592 /nfs/dbraw/zinc/12/35/92/1021123592.db2.gz XHSNZRPAPMLASS-GOSISDBHSA-N 1 0 329.484 4.384 50 0 EIAARO Cc1ccc(C[N@@H+]2CCCCCCNC(=O)C[C@H]2c2ccccc2)o1 ZINC000257191995 1022754832 /nfs/dbraw/zinc/75/48/32/1022754832.db2.gz QDKNNVRXOXJJBU-FQEVSTJZSA-N 1 0 340.467 4.212 50 0 EIAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000022912987 1026370788 /nfs/dbraw/zinc/37/07/88/1026370788.db2.gz QPSKFCOVMSTLNG-INIZCTEOSA-N 1 0 349.931 4.283 50 0 EIAARO O[C@@H](C[NH2+]Cc1ccc2occc2c1)c1ccc(C(F)(F)F)cc1 ZINC000808426324 1034801985 /nfs/dbraw/zinc/80/19/85/1034801985.db2.gz QVZHGAOPXYAJMS-INIZCTEOSA-N 1 0 335.325 4.275 50 0 EIAARO CC(C)[N@@H+]1CC2(CC[NH+](Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000257183165 1036308169 /nfs/dbraw/zinc/30/81/69/1036308169.db2.gz HGDYZVJLAJVBSU-OAQYLSRUSA-N 1 0 335.495 4.129 50 0 EIAARO CC[NH+](CC)CCNc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000006538682 1039034762 /nfs/dbraw/zinc/03/47/62/1039034762.db2.gz XXRROMUCCADTOR-UHFFFAOYSA-N 1 0 333.545 4.365 50 0 EIAARO CCOC1CC2(C1)CC[N@H+](Cc1ccc(Oc3ccccc3)o1)C2 ZINC000809707813 1040011672 /nfs/dbraw/zinc/01/16/72/1040011672.db2.gz PEDBKPMMMOICNJ-UHFFFAOYSA-N 1 0 327.424 4.463 50 0 EIAARO Cc1cccc(C[N@H+](Cc2ccc3c[nH]nc3c2)Cc2ccccn2)c1 ZINC000131979189 1043285054 /nfs/dbraw/zinc/28/50/54/1043285054.db2.gz SYEDXAYCIBCKLN-UHFFFAOYSA-N 1 0 342.446 4.469 50 0 EIAARO COc1ccc2c(c1)[C@H](C)[N@@H+](Cc1ccc(-c3cc[nH]n3)s1)CC2 ZINC000824751106 1044525689 /nfs/dbraw/zinc/52/56/89/1044525689.db2.gz PKHKRQXGIDIHCF-ZDUSSCGKSA-N 1 0 339.464 4.266 50 0 EIAARO Cc1ccc(Cl)c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000825157441 1044611836 /nfs/dbraw/zinc/61/18/36/1044611836.db2.gz ZJELUYRJQWWICK-UHFFFAOYSA-N 1 0 328.843 4.497 50 0 EIAARO Cc1cnc(C[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)n1C(C)C ZINC000575317333 1045211829 /nfs/dbraw/zinc/21/18/29/1045211829.db2.gz GFGZHANKAKHDMI-GOSISDBHSA-N 1 0 329.463 4.366 50 0 EIAARO COc1cccc(C[N@@H+]2CCC[C@@H](Cc3ncc(C)n3C(C)C)C2)c1 ZINC000575317099 1045213533 /nfs/dbraw/zinc/21/35/33/1045213533.db2.gz BDRFUMHEMJVZDA-IBGZPJMESA-N 1 0 341.499 4.236 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000575545549 1045255051 /nfs/dbraw/zinc/25/50/51/1045255051.db2.gz IEAUQYCSHHHEDQ-INIZCTEOSA-N 1 0 348.450 4.028 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000575551842 1045258691 /nfs/dbraw/zinc/25/86/91/1045258691.db2.gz ULRCGWIOFLPGQJ-INIZCTEOSA-N 1 0 348.450 4.028 50 0 EIAARO Cc1nc(CO[C@H]2CCN(c3cc[nH+]c4ccc(C)cc43)C2)cs1 ZINC000585083265 1049397194 /nfs/dbraw/zinc/39/71/94/1049397194.db2.gz JSTOOHDCSMVOSP-INIZCTEOSA-N 1 0 339.464 4.104 50 0 EIAARO Cc1nc(CO[C@@H]2CCN(c3cc[nH+]c4ccc(C)cc43)C2)cs1 ZINC000585083266 1049397875 /nfs/dbraw/zinc/39/78/75/1049397875.db2.gz JSTOOHDCSMVOSP-MRXNPFEDSA-N 1 0 339.464 4.104 50 0 EIAARO CC(C)c1ccc(CN(C(=O)[C@@H]2CCCCC[N@@H+]2C)C2CC2)cc1 ZINC000952963502 1049680655 /nfs/dbraw/zinc/68/06/55/1049680655.db2.gz KQBRMGMAOSPPTD-FQEVSTJZSA-N 1 0 328.500 4.175 50 0 EIAARO COc1ncccc1C[NH2+]CC[C@@H](c1ccco1)c1ccc(F)cc1 ZINC000952967096 1049686391 /nfs/dbraw/zinc/68/63/91/1049686391.db2.gz HAAAXOFOMWLNTG-GOSISDBHSA-N 1 0 340.398 4.134 50 0 EIAARO COCC1(C[NH2+]Cc2cnc(-c3cccc4ccccc43)nc2)CCC1 ZINC000952984582 1049689186 /nfs/dbraw/zinc/68/91/86/1049689186.db2.gz YKSRCUPFHXPRMJ-UHFFFAOYSA-N 1 0 347.462 4.203 50 0 EIAARO C[N@H+](CCCOc1ccccc1Cl)Cc1cc(C(C)(C)C)n[nH]1 ZINC000952987437 1049691479 /nfs/dbraw/zinc/69/14/79/1049691479.db2.gz DTSHXKAPZDJJNC-UHFFFAOYSA-N 1 0 335.879 4.262 50 0 EIAARO C[C@H](CCNC(=O)c1ccc(-c2ccccc2Cl)o1)n1ccnc1 ZINC000952990350 1049692289 /nfs/dbraw/zinc/69/22/89/1049692289.db2.gz UTTGOVDASINWIZ-CYBMUJFWSA-N 1 0 343.814 4.178 50 0 EIAARO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)sc1-c1cccc(Cl)c1 ZINC000170868253 1049787389 /nfs/dbraw/zinc/78/73/89/1049787389.db2.gz ASJVSLAPZWGLRC-HNNXBMFYSA-N 1 0 348.899 4.153 50 0 EIAARO Cc1ccc(NC(=O)C[NH2+][C@H](CC(C)(C)C)c2cccnc2)c(C)c1 ZINC000065370506 1059352375 /nfs/dbraw/zinc/35/23/75/1059352375.db2.gz YCTSEBSOLPCRRO-LJQANCHMSA-N 1 0 339.483 4.404 50 0 EIAARO CC1CC[NH+](C[C@@H]2CCCCCN2C(=O)Nc2ccccc2)CC1 ZINC000581788274 1059995229 /nfs/dbraw/zinc/99/52/29/1059995229.db2.gz ZGIBQESKKFXFBR-IBGZPJMESA-N 1 0 329.488 4.195 50 0 EIAARO Cc1ccc(NC(=O)N2CC[C@@H]3C[N@H+](Cc4ccccc4)[C@@H]3C2)cc1C ZINC000581798204 1060004815 /nfs/dbraw/zinc/00/48/15/1060004815.db2.gz HSUZKCQXVJGZAZ-TZIWHRDSSA-N 1 0 349.478 4.042 50 0 EIAARO CC(C)N1C(=O)C2(CC[NH+](Cc3ccccc3)CC2)[C@H]1c1ccccc1 ZINC000581801078 1060006148 /nfs/dbraw/zinc/00/61/48/1060006148.db2.gz VKPOOTFECXLXBB-OAQYLSRUSA-N 1 0 348.490 4.261 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC000581807841 1060017669 /nfs/dbraw/zinc/01/76/69/1060017669.db2.gz BNTCULXNHXBREI-UHFFFAOYSA-N 1 0 343.515 4.278 50 0 EIAARO COC(=O)c1ccc[n+]2c1S[C@H](c1ccccc1)[C@@H]2c1ccccc1 ZINC000004721233 210260300 /nfs/dbraw/zinc/26/03/00/210260300.db2.gz QOLQJCGZAPBVRP-RBUKOAKNSA-N 1 0 348.447 4.197 50 0 EIAARO COC(=O)c1ccc[n+]2c1S[C@@H](c1ccccc1)[C@@H]2c1ccccc1 ZINC000004721236 210258885 /nfs/dbraw/zinc/25/88/85/210258885.db2.gz QOLQJCGZAPBVRP-OALUTQOASA-N 1 0 348.447 4.197 50 0 EIAARO COc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1Cl ZINC000004710708 210256339 /nfs/dbraw/zinc/25/63/39/210256339.db2.gz XMZHTITWRBZTJX-UHFFFAOYSA-N 1 0 328.799 4.293 50 0 EIAARO Cc1csc2nc(C[NH2+][C@H](c3cccs3)C(C)(C)C)cc(=O)n12 ZINC000054417291 214237741 /nfs/dbraw/zinc/23/77/41/214237741.db2.gz MIJGQYYIESBNNE-OAHLLOKOSA-N 1 0 347.509 4.003 50 0 EIAARO FC(F)Oc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1 ZINC000055028094 214264752 /nfs/dbraw/zinc/26/47/52/214264752.db2.gz ZSYHUMPZUKLEDK-GOSISDBHSA-N 1 0 326.346 4.271 50 0 EIAARO C[C@@H](c1ccc(C(=O)NCc2cccc(Cl)c2)o1)[NH+]1CCCCC1 ZINC000097772762 219055458 /nfs/dbraw/zinc/05/54/58/219055458.db2.gz QYAARRFMQBTAAP-AWEZNQCLSA-N 1 0 346.858 4.410 50 0 EIAARO C[C@@H](C[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1)c1ccccc1 ZINC000055403552 214319732 /nfs/dbraw/zinc/31/97/32/214319732.db2.gz GYFUQBVSSDYVQI-KRWDZBQOSA-N 1 0 338.499 4.376 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]Cc2cnc(-c3cccc(C)c3)nc2)cc1 ZINC000055404463 214320247 /nfs/dbraw/zinc/32/02/47/214320247.db2.gz GRMCPHIOVCKUOH-MRXNPFEDSA-N 1 0 333.435 4.311 50 0 EIAARO CCC[C@@H](C)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000056284310 214367799 /nfs/dbraw/zinc/36/77/99/214367799.db2.gz QGHVMJYBQLXYMD-SECBINFHSA-N 1 0 344.278 4.181 50 0 EIAARO CCC[C@H](C)[N@H+](C)Cc1nc(-c2cc(Br)cs2)no1 ZINC000056284311 214367952 /nfs/dbraw/zinc/36/79/52/214367952.db2.gz QGHVMJYBQLXYMD-VIFPVBQESA-N 1 0 344.278 4.181 50 0 EIAARO c1c(-c2cccnc2)nnn1C1CC[NH+](C2CCCCCCC2)CC1 ZINC000063848841 214771612 /nfs/dbraw/zinc/77/16/12/214771612.db2.gz KREHLNATBJXMMF-UHFFFAOYSA-N 1 0 339.487 4.090 50 0 EIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000101847512 219166649 /nfs/dbraw/zinc/16/66/49/219166649.db2.gz YZZLWRCPCIMEHR-UEDNIHKISA-N 1 0 325.537 4.088 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000003904793 210089049 /nfs/dbraw/zinc/08/90/49/210089049.db2.gz ALSKJBPWZSRVLV-KSZLIROESA-N 1 0 336.479 4.133 50 0 EIAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000044935311 213678256 /nfs/dbraw/zinc/67/82/56/213678256.db2.gz YOXQVQVQZXMEFE-NRFANRHFSA-N 1 0 336.479 4.166 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003322021 210006569 /nfs/dbraw/zinc/00/65/69/210006569.db2.gz JSQYUKKJLJXHJF-HDICACEKSA-N 1 0 336.479 4.479 50 0 EIAARO COc1ccc(Oc2ccc(C[NH+]3CCCC3)c(OC)c2)cc1C ZINC000067677286 215182841 /nfs/dbraw/zinc/18/28/41/215182841.db2.gz MGSQOQKFUXEJHJ-UHFFFAOYSA-N 1 0 327.424 4.400 50 0 EIAARO COc1ccc(C[NH+]2CCCC2)cc1Oc1cccc(-n2cccn2)c1 ZINC000067713242 215191266 /nfs/dbraw/zinc/19/12/66/215191266.db2.gz DUEMFPVGZPQQDO-UHFFFAOYSA-N 1 0 349.434 4.269 50 0 EIAARO CC(C)c1cc(C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)[nH]n1 ZINC000067805233 215218487 /nfs/dbraw/zinc/21/84/87/215218487.db2.gz IXUCLWDDIUDIHS-UHFFFAOYSA-N 1 0 349.482 4.303 50 0 EIAARO Cc1cccc(C(C)(C)C)c1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000067946371 215256402 /nfs/dbraw/zinc/25/64/02/215256402.db2.gz XAJHSJSDPNZJFB-INIZCTEOSA-N 1 0 331.504 4.146 50 0 EIAARO COc1cc(C[NH+]2CCCC2)ccc1Oc1cccc(NC(C)=O)c1 ZINC000067974609 215264289 /nfs/dbraw/zinc/26/42/89/215264289.db2.gz HDQRGQDEALDLJM-UHFFFAOYSA-N 1 0 340.423 4.042 50 0 EIAARO Cc1ccc(-c2ccsc2C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000040108189 213267543 /nfs/dbraw/zinc/26/75/43/213267543.db2.gz HAXVMUZEKPPLPJ-ZWKOTPCHSA-N 1 0 340.492 4.080 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C(F)(F)F)c2)o1 ZINC000040088650 213261206 /nfs/dbraw/zinc/26/12/06/213261206.db2.gz OYSAGXMKYLXJPZ-UHFFFAOYSA-N 1 0 335.329 4.287 50 0 EIAARO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c(OC)c1OC ZINC000040088618 213261044 /nfs/dbraw/zinc/26/10/44/213261044.db2.gz FSFGVNBLSLRHKA-HZPDHXFCSA-N 1 0 335.488 4.407 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000001460343 209752300 /nfs/dbraw/zinc/75/23/00/209752300.db2.gz GNZAGVVNUOIQBZ-VQTJNVASSA-N 1 0 342.527 4.077 50 0 EIAARO CC[C@H](C)C[N@@H+]1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000039364619 213234488 /nfs/dbraw/zinc/23/44/88/213234488.db2.gz ZFTDCRKCBQHVNS-LAUBAEHRSA-N 1 0 339.479 4.203 50 0 EIAARO COc1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000038834207 213228262 /nfs/dbraw/zinc/22/82/62/213228262.db2.gz WCJMSJJICCAKPO-UHFFFAOYSA-N 1 0 338.451 4.324 50 0 EIAARO Cc1ccc(C(O)(c2ccc(C)c(C)c2)[C@H]2C[NH+]3CCC2CC3)cc1C ZINC000001247370 209720491 /nfs/dbraw/zinc/72/04/91/209720491.db2.gz AIEOARPRTKSOKM-QHCPKHFHSA-N 1 0 349.518 4.498 50 0 EIAARO O[C@@H](Cc1ccccc1)C[N@H+](Cc1cccs1)Cc1ccccc1 ZINC000036103323 213066637 /nfs/dbraw/zinc/06/66/37/213066637.db2.gz ZWBUQOVISQFBCK-FQEVSTJZSA-N 1 0 337.488 4.354 50 0 EIAARO Cc1cccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C(C)C)c1 ZINC000036098751 213065217 /nfs/dbraw/zinc/06/52/17/213065217.db2.gz BXFMXWJLSUEQCW-LJQANCHMSA-N 1 0 347.886 4.299 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccccc1 ZINC000036098918 213064536 /nfs/dbraw/zinc/06/45/36/213064536.db2.gz LQUBNQCYDCZJPU-FPOVZHCZSA-N 1 0 341.495 4.344 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000036104522 213068687 /nfs/dbraw/zinc/06/86/87/213068687.db2.gz NOTLZLDQNKMMMF-CTNGQTDRSA-N 1 0 341.495 4.344 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1 ZINC000036103882 213068736 /nfs/dbraw/zinc/06/87/36/213068736.db2.gz BGPYBWMZDQKAEE-CTNGQTDRSA-N 1 0 341.495 4.344 50 0 EIAARO CC(C)CC[N@@H+](Cc1cccs1)C[C@H](O)COc1ccccc1 ZINC000036096649 213064050 /nfs/dbraw/zinc/06/40/50/213064050.db2.gz LLSXYVHTNHJGRY-KRWDZBQOSA-N 1 0 333.497 4.036 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096907 213064016 /nfs/dbraw/zinc/06/40/16/213064016.db2.gz NJDZQVWFUNLYOV-LPHOPBHVSA-N 1 0 347.886 4.380 50 0 EIAARO c1coc(-c2ccccc2C[N@H+]2CCCN(Cc3cccnc3)CC2)c1 ZINC000072169538 216060891 /nfs/dbraw/zinc/06/08/91/216060891.db2.gz JKJYGQAEEJXVOU-UHFFFAOYSA-N 1 0 347.462 4.050 50 0 EIAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCCC[C@H]2c2ccccn2)c1 ZINC000072168637 216059134 /nfs/dbraw/zinc/05/91/34/216059134.db2.gz IIPFFOSTCSZJHO-NRFANRHFSA-N 1 0 348.450 4.003 50 0 EIAARO Cc1ccc(C(=O)Nc2ccc(CC3CC[NH2+]CC3)cc2)c(Cl)c1 ZINC000072328172 216152530 /nfs/dbraw/zinc/15/25/30/216152530.db2.gz LPVKSKFBTCGEIC-UHFFFAOYSA-N 1 0 342.870 4.443 50 0 EIAARO c1cc(C2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)ccn1 ZINC000072407687 216198717 /nfs/dbraw/zinc/19/87/17/216198717.db2.gz BEQWGIIXTKKPDX-UHFFFAOYSA-N 1 0 336.483 4.299 50 0 EIAARO COc1cccc([C@H]2CCCC[N@@H+]2Cc2ccnc(C(C)C)n2)c1 ZINC000072412453 216205283 /nfs/dbraw/zinc/20/52/83/216205283.db2.gz BQSYPTUOJIIZRS-LJQANCHMSA-N 1 0 325.456 4.336 50 0 EIAARO CC[C@H](C)Cc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072429496 216220534 /nfs/dbraw/zinc/22/05/34/216220534.db2.gz KDUDPPADRLJTLQ-HNNXBMFYSA-N 1 0 343.902 4.388 50 0 EIAARO c1csc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000023844566 212395477 /nfs/dbraw/zinc/39/54/77/212395477.db2.gz SYGAAFTXERJQSK-UHFFFAOYSA-N 1 0 335.476 4.055 50 0 EIAARO Clc1ccc(OCCCCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000023550155 212382721 /nfs/dbraw/zinc/38/27/21/212382721.db2.gz NCJHQMVCUJILNB-UHFFFAOYSA-N 1 0 332.271 4.265 50 0 EIAARO Cc1ccc([C@H](C)CC[NH+]2CCN(C/C=C/c3ccccc3)CC2)o1 ZINC000022077639 212276489 /nfs/dbraw/zinc/27/64/89/212276489.db2.gz NZBLGFWBINALSB-MBNRZODZSA-N 1 0 338.495 4.413 50 0 EIAARO Clc1cccc([C@H]2CC[N@H+](Cc3cnc(N4CCCC4)s3)C2)c1 ZINC000216459871 241196009 /nfs/dbraw/zinc/19/60/09/241196009.db2.gz VMQCEJRXCPVXPR-HNNXBMFYSA-N 1 0 347.915 4.386 50 0 EIAARO Cc1cc2c(ncnc2N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000225533055 241914457 /nfs/dbraw/zinc/91/44/57/241914457.db2.gz GIMJXPDIWVJETJ-CJNGLKHVSA-N 1 0 326.469 4.103 50 0 EIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1OCC ZINC000021720335 212243620 /nfs/dbraw/zinc/24/36/20/212243620.db2.gz YCDHVELNDAOPOE-QGZVFWFLSA-N 1 0 344.455 4.426 50 0 EIAARO CCc1noc(C2CCC([NH2+]CC3CCC(F)(F)CC3)CC2)n1 ZINC000242273548 243014619 /nfs/dbraw/zinc/01/46/19/243014619.db2.gz YDPNNJAZYRUWBP-UHFFFAOYSA-N 1 0 327.419 4.073 50 0 EIAARO Oc1cccc(C2CC[NH+](Cc3cncn3Cc3ccccc3)CC2)c1 ZINC000244626601 243044608 /nfs/dbraw/zinc/04/46/08/243044608.db2.gz FOUXVAIAKRFXMC-UHFFFAOYSA-N 1 0 347.462 4.017 50 0 EIAARO CN(C)CC[NH2+]CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020590015 212149692 /nfs/dbraw/zinc/14/96/92/212149692.db2.gz OQOVZVDROYLCSG-LJQANCHMSA-N 1 0 334.866 4.152 50 0 EIAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)cc1OC ZINC000019927510 212084863 /nfs/dbraw/zinc/08/48/63/212084863.db2.gz GMGJLFFANIOUEO-UHFFFAOYSA-N 1 0 340.250 4.343 50 0 EIAARO Cc1ccsc1C[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000019740381 212060453 /nfs/dbraw/zinc/06/04/53/212060453.db2.gz DNNAWFJBEDXOLD-UHFFFAOYSA-N 1 0 333.407 4.357 50 0 EIAARO COc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c2ccccc12 ZINC000019633770 212052837 /nfs/dbraw/zinc/05/28/37/212052837.db2.gz YLAVJCFQTLTLBE-UHFFFAOYSA-N 1 0 346.474 4.166 50 0 EIAARO Cc1cccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019361436 212021297 /nfs/dbraw/zinc/02/12/97/212021297.db2.gz GVVKSSKZVJHJNU-UHFFFAOYSA-N 1 0 330.475 4.466 50 0 EIAARO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](C)CCc1ccccn1 ZINC000019111253 212000151 /nfs/dbraw/zinc/00/01/51/212000151.db2.gz WTPKZCKOYJKUMK-UHFFFAOYSA-N 1 0 341.842 4.373 50 0 EIAARO O=C(c1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000019144201 212001950 /nfs/dbraw/zinc/00/19/50/212001950.db2.gz DTWVFQMWENAJRN-SFHVURJKSA-N 1 0 339.866 4.402 50 0 EIAARO O=C(CCC1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)N1CCCC1 ZINC000014976607 211782269 /nfs/dbraw/zinc/78/22/69/211782269.db2.gz UESOGEFVMUBQFB-UHFFFAOYSA-N 1 0 344.543 4.070 50 0 EIAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000012676969 211432532 /nfs/dbraw/zinc/43/25/32/211432532.db2.gz DPYLJPSTHMKXIE-KZULUSFZSA-N 1 0 330.378 4.033 50 0 EIAARO CC(C)c1ccc(CN2CCC[C@@]3(CC[N@@H+](C(C)C)C3)C2=O)cc1 ZINC000012473365 211390830 /nfs/dbraw/zinc/39/08/30/211390830.db2.gz BMKYSFLJHPPTHH-NRFANRHFSA-N 1 0 328.500 4.033 50 0 EIAARO O=C(CSc1ccccc1)N[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012455629 211387228 /nfs/dbraw/zinc/38/72/28/211387228.db2.gz YKJSKIVKRQGNCL-KRWDZBQOSA-N 1 0 346.540 4.082 50 0 EIAARO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000012307169 211341104 /nfs/dbraw/zinc/34/11/04/211341104.db2.gz UKKIWYLMHUAJLL-HXUWFJFHSA-N 1 0 332.451 4.153 50 0 EIAARO Cc1ccc(C)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)c1 ZINC000012226663 211324940 /nfs/dbraw/zinc/32/49/40/211324940.db2.gz RNLCMDYIFTZQMB-JOCHJYFZSA-N 1 0 341.470 4.260 50 0 EIAARO Fc1ccc(/C=C/CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc1 ZINC000012072534 211286331 /nfs/dbraw/zinc/28/63/31/211286331.db2.gz XIZVMQSCBXHXHT-QMYPENSCSA-N 1 0 328.475 4.037 50 0 EIAARO Cc1c([C@H](C)[NH2+]C2CCSCC2)cnn1-c1ccc(F)cc1F ZINC000012026748 211281361 /nfs/dbraw/zinc/28/13/61/211281361.db2.gz YPXMQRXZKRNLBC-NSHDSACASA-N 1 0 337.439 4.005 50 0 EIAARO Cc1[nH]c2ccc(C[NH2+]C3CCN(Cc4ccco4)CC3)cc2c1C ZINC000011878545 211263352 /nfs/dbraw/zinc/26/33/52/211263352.db2.gz UTQGOJZSPCMZIF-UHFFFAOYSA-N 1 0 337.467 4.132 50 0 EIAARO CCN(CC)c1ncccc1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000011873093 211260901 /nfs/dbraw/zinc/26/09/01/211260901.db2.gz BQXZEPATEQKCIO-UHFFFAOYSA-N 1 0 337.389 4.236 50 0 EIAARO COc1ccc2[nH]cc([C@@H](C[NH3+])c3ccc(C(F)(F)F)cc3)c2c1 ZINC000091690192 218047661 /nfs/dbraw/zinc/04/76/61/218047661.db2.gz HWKKDRSGABSBEN-HNNXBMFYSA-N 1 0 334.341 4.286 50 0 EIAARO Cc1nc(C)c(C)c(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000091860507 218079856 /nfs/dbraw/zinc/07/98/56/218079856.db2.gz SXXYCXPFRHRRHD-UHFFFAOYSA-N 1 0 344.890 4.132 50 0 EIAARO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373418 211214840 /nfs/dbraw/zinc/21/48/40/211214840.db2.gz WJCSORZZMVBSBA-OAQYLSRUSA-N 1 0 348.421 4.146 50 0 EIAARO Cc1ccccc1NC(=O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000011154945 211204811 /nfs/dbraw/zinc/20/48/11/211204811.db2.gz MMFKGQSIHCQICG-UHFFFAOYSA-N 1 0 336.479 4.278 50 0 EIAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000010339721 211167824 /nfs/dbraw/zinc/16/78/24/211167824.db2.gz TXWWDYBOLGTKRI-RTWAWAEBSA-N 1 0 334.463 4.017 50 0 EIAARO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccc(C)cc2)C2CC2)cc1 ZINC000010351351 211167396 /nfs/dbraw/zinc/16/73/96/211167396.db2.gz XWHIIZYNRPQHRQ-QRWLVFNGSA-N 1 0 338.451 4.072 50 0 EIAARO CCCCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C ZINC000009942200 211134149 /nfs/dbraw/zinc/13/41/49/211134149.db2.gz GNIKOWHXEBFGQC-UHFFFAOYSA-N 1 0 342.487 4.078 50 0 EIAARO CC(C)n1ccnc1[C@@H]1CCC[N@H+](Cc2ccccc2-n2cccn2)C1 ZINC000095363193 218295124 /nfs/dbraw/zinc/29/51/24/218295124.db2.gz LRXHMWXUYBKGDA-LJQANCHMSA-N 1 0 349.482 4.029 50 0 EIAARO CC(C)CC[C@@]1(CC[NH2+]C2CCN(C)CC2)CCO[C@H](C(C)C)C1 ZINC000008992493 211028897 /nfs/dbraw/zinc/02/88/97/211028897.db2.gz UOPPJLUPPAPMDX-LEWJYISDSA-N 1 0 338.580 4.318 50 0 EIAARO O=C(Nc1ccc([C@@H]2[NH2+]CCc3sccc32)cc1)c1ccccc1 ZINC000008855253 211011991 /nfs/dbraw/zinc/01/19/91/211011991.db2.gz KQCJVQATUOVCLS-IBGZPJMESA-N 1 0 334.444 4.236 50 0 EIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)Nc1ccccc1 ZINC000008862969 211011619 /nfs/dbraw/zinc/01/16/19/211011619.db2.gz DFMOPFNYPCFQEC-SFHVURJKSA-N 1 0 343.496 4.487 50 0 EIAARO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000095419357 218359243 /nfs/dbraw/zinc/35/92/43/218359243.db2.gz XYKWCHDODVTSRF-GJZGRUSLSA-N 1 0 340.423 4.064 50 0 EIAARO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)o1 ZINC000095419409 218359853 /nfs/dbraw/zinc/35/98/53/218359853.db2.gz NOZQKQSGAGPWKX-JKSUJKDBSA-N 1 0 339.439 4.312 50 0 EIAARO COc1cccc2cc(C[NH2+]Cc3cnc(C4CCC4)s3)oc21 ZINC000095415455 218353975 /nfs/dbraw/zinc/35/39/75/218353975.db2.gz PEZLOYSGZHOGGA-UHFFFAOYSA-N 1 0 328.437 4.455 50 0 EIAARO Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cc1C ZINC000095420651 218361355 /nfs/dbraw/zinc/36/13/55/218361355.db2.gz MXNDPJGQMIBZRQ-SFHVURJKSA-N 1 0 336.479 4.277 50 0 EIAARO CNC(=O)c1cccc(C[NH2+][C@H]2CCSc3c(Cl)cccc32)c1 ZINC000095420988 218361451 /nfs/dbraw/zinc/36/14/51/218361451.db2.gz UQRXRRGFFHUQRK-INIZCTEOSA-N 1 0 346.883 4.026 50 0 EIAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1F ZINC000095422043 218363904 /nfs/dbraw/zinc/36/39/04/218363904.db2.gz FNBUPEJHUUWKNZ-BSEYFRJRSA-N 1 0 349.471 4.201 50 0 EIAARO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccnc(N3CCCCCC3)c2)cn1 ZINC000095422138 218364261 /nfs/dbraw/zinc/36/42/61/218364261.db2.gz VGQPEVSFNNUVKV-QGZVFWFLSA-N 1 0 341.503 4.090 50 0 EIAARO CCSc1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000095421779 218364431 /nfs/dbraw/zinc/36/44/31/218364431.db2.gz DNOCJYSJEWUDSK-HNNXBMFYSA-N 1 0 348.556 4.486 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000095444361 218389344 /nfs/dbraw/zinc/38/93/44/218389344.db2.gz HZENIOSRJROZGB-MRVPVSSYSA-N 1 0 330.646 4.475 50 0 EIAARO CCc1noc(C2CCC([NH2+][C@@H]3C[C@@H](C)c4ccccc43)CC2)n1 ZINC000095996913 218502144 /nfs/dbraw/zinc/50/21/44/218502144.db2.gz DXZNTCNRZUVPMM-SEVFCGSRSA-N 1 0 325.456 4.496 50 0 EIAARO O=C(/C=C/c1cccs1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448606 210802832 /nfs/dbraw/zinc/80/28/32/210802832.db2.gz UDLWATKORDJPMU-ZHACJKMWSA-N 1 0 340.492 4.064 50 0 EIAARO Cc1ccc(N2C(=O)[C@@H](C[NH+]3CCCCC3)[C@H]2c2ccccc2)cc1 ZINC000005738734 210527467 /nfs/dbraw/zinc/52/74/67/210527467.db2.gz OMOXCNHOHLCAAM-LEWJYISDSA-N 1 0 334.463 4.185 50 0 EIAARO C[C@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@@H]1CCCO1 ZINC000005348062 210446446 /nfs/dbraw/zinc/44/64/46/210446446.db2.gz RTOVSWPWNYKPES-LMNJBCLMSA-N 1 0 331.500 4.061 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1csc2c1CCCCC2 ZINC000005070463 210383433 /nfs/dbraw/zinc/38/34/33/210383433.db2.gz DRXWSZZXLAXBAT-IYBDPMFKSA-N 1 0 348.556 4.400 50 0 EIAARO CCC[NH+]1CCC(NC(=S)Nc2cccc3ccccc32)CC1 ZINC000005041486 210371495 /nfs/dbraw/zinc/37/14/95/210371495.db2.gz MEERTACSIUUTDT-UHFFFAOYSA-N 1 0 327.497 4.001 50 0 EIAARO Cc1nnc(C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2C(F)(F)F)o1 ZINC000097110957 218960103 /nfs/dbraw/zinc/96/01/03/218960103.db2.gz IPVUBBHYIFUVFG-DZGCQCFKSA-N 1 0 339.361 4.213 50 0 EIAARO COc1cc(C[NH2+]Cc2cccc3ccccc32)cc(OC)c1OC ZINC000005005701 210359091 /nfs/dbraw/zinc/35/90/91/210359091.db2.gz LDGLROHFOYNQJH-UHFFFAOYSA-N 1 0 337.419 4.155 50 0 EIAARO O=C(Nc1cccc2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000004949606 210337978 /nfs/dbraw/zinc/33/79/78/210337978.db2.gz QIJSXYUPAJELFZ-UHFFFAOYSA-N 1 0 337.467 4.322 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(Cl)cc2Br)C1 ZINC000004914391 210322263 /nfs/dbraw/zinc/32/22/63/210322263.db2.gz PGSAWZZSNKSORV-VXGBXAGGSA-N 1 0 346.696 4.459 50 0 EIAARO COc1ccc(Oc2ccc3c(c2)c2c4n3CC[NH2+][C@@H]4CCC2)cc1 ZINC000004817340 210285762 /nfs/dbraw/zinc/28/57/62/210285762.db2.gz LTMIZKVXZVNXNW-LJQANCHMSA-N 1 0 334.419 4.423 50 0 EIAARO CCc1c2ccccc2[nH]c1C(=O)N(C)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097578491 219035976 /nfs/dbraw/zinc/03/59/76/219035976.db2.gz IAKWOOJZAXYUCI-FQEVSTJZSA-N 1 0 349.478 4.105 50 0 EIAARO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2ccc(OC(F)(F)F)cc2)cn1 ZINC000328596458 258043043 /nfs/dbraw/zinc/04/30/43/258043043.db2.gz RGROLLZTPMGMHG-RYUDHWBXSA-N 1 0 325.334 4.095 50 0 EIAARO CCOc1cc(-c2csc3ccccc23)cc2c1OCC[NH2+]C2 ZINC000299772193 258084365 /nfs/dbraw/zinc/08/43/65/258084365.db2.gz ZVILDQRNXXWIPB-UHFFFAOYSA-N 1 0 325.433 4.449 50 0 EIAARO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000004552785 258051057 /nfs/dbraw/zinc/05/10/57/258051057.db2.gz RGMOOYGFLBIHNM-UHFFFAOYSA-N 1 0 338.495 4.310 50 0 EIAARO C[C@H](OC[C@@H](O)C[NH+]1CCCCCCC1)c1ccc(Cl)cc1 ZINC000006939135 258052797 /nfs/dbraw/zinc/05/27/97/258052797.db2.gz LOYOOYSZLJKMLM-YJBOKZPZSA-N 1 0 325.880 4.045 50 0 EIAARO Cc1ncsc1CC[N@@H+](C)Cc1nc(-c2cccs2)oc1C ZINC000215961240 258072113 /nfs/dbraw/zinc/07/21/13/258072113.db2.gz JGAZXWAHAOHZTL-UHFFFAOYSA-N 1 0 333.482 4.151 50 0 EIAARO Clc1ccc(N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000053050360 132185873 /nfs/dbraw/zinc/18/58/73/132185873.db2.gz NRWWWLAGZMNIDV-UHFFFAOYSA-N 1 0 325.843 4.144 50 0 EIAARO COc1ccc([C@H](C)C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000242302222 536895373 /nfs/dbraw/zinc/89/53/73/536895373.db2.gz YQOODWXTJVWMFQ-OXQOHEQNSA-N 1 0 327.468 4.148 50 0 EIAARO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000000213286 563261509 /nfs/dbraw/zinc/26/15/09/563261509.db2.gz OOWBYDWYZBKNIO-UHFFFAOYSA-N 1 0 336.262 4.477 50 0 EIAARO C[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000000316976 563283085 /nfs/dbraw/zinc/28/30/85/563283085.db2.gz SOTCFRKCQDYKCC-UHFFFAOYSA-N 1 0 328.887 4.436 50 0 EIAARO CC[NH+](CC)CCSCC(=O)Nc1ccc(Cl)cc1Cl ZINC000002161804 563424709 /nfs/dbraw/zinc/42/47/09/563424709.db2.gz WEZHKAHYMWYMBD-UHFFFAOYSA-N 1 0 335.300 4.007 50 0 EIAARO C[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3C(F)(F)F)CC2)C1 ZINC000002735145 563447725 /nfs/dbraw/zinc/44/77/25/563447725.db2.gz TWIGODQZHWZWPP-HNNXBMFYSA-N 1 0 340.433 4.402 50 0 EIAARO Cc1cc(C)c(OCCC[NH2+]C2CCCC2)c(Br)c1 ZINC000002845209 563454963 /nfs/dbraw/zinc/45/49/63/563454963.db2.gz UOMUQAJKVVYJKR-UHFFFAOYSA-N 1 0 326.278 4.367 50 0 EIAARO CCCC[NH+](CCCC)C[C@@H](O)COc1cccc2ccccc21 ZINC000002991745 563468225 /nfs/dbraw/zinc/46/82/25/563468225.db2.gz ZJCAHBZZKGAAAC-LJQANCHMSA-N 1 0 329.484 4.482 50 0 EIAARO CCCOc1ccccc1NC(=O)OCC1([NH+](C)C)CCCCC1 ZINC000003130191 563473529 /nfs/dbraw/zinc/47/35/29/563473529.db2.gz GVZQYYCGSKCYOI-UHFFFAOYSA-N 1 0 334.460 4.288 50 0 EIAARO COc1ccc([C@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(C)cc2)cc1Cl ZINC000005738381 563548112 /nfs/dbraw/zinc/54/81/12/563548112.db2.gz GJASQCPZJSUPBP-SJORKVTESA-N 1 0 343.854 4.185 50 0 EIAARO C[NH+]1CCC(O[C@@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000006638539 563575887 /nfs/dbraw/zinc/57/58/87/563575887.db2.gz YOAORJGYOFRIRQ-HXUWFJFHSA-N 1 0 325.477 4.493 50 0 EIAARO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012228295 563656577 /nfs/dbraw/zinc/65/65/77/563656577.db2.gz SGOVJHZUBXLNRA-UHFFFAOYSA-N 1 0 335.875 4.285 50 0 EIAARO Cc1c([C@@H](C)[NH2+]Cc2ccccc2)cnn1-c1ccc(F)cc1F ZINC000012703818 563667997 /nfs/dbraw/zinc/66/79/97/563667997.db2.gz GYDKQJNBZQMVSF-CYBMUJFWSA-N 1 0 327.378 4.310 50 0 EIAARO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2ccccc2F)C1 ZINC000012714082 563668655 /nfs/dbraw/zinc/66/86/55/563668655.db2.gz CDUBNQKRKHMBBP-FQEVSTJZSA-N 1 0 347.861 4.296 50 0 EIAARO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000032764928 563729564 /nfs/dbraw/zinc/72/95/64/563729564.db2.gz QVIIFNOYXMDQEN-YADHBBJMSA-N 1 0 348.490 4.060 50 0 EIAARO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000032764933 563729609 /nfs/dbraw/zinc/72/96/09/563729609.db2.gz QVIIFNOYXMDQEN-VXKWHMMOSA-N 1 0 348.490 4.060 50 0 EIAARO CCOC(=O)c1ccc2[nH]c(-c3ccc(C)cc3)c(C[NH+](C)C)c2c1 ZINC000013943903 563732041 /nfs/dbraw/zinc/73/20/41/563732041.db2.gz KSPMHWWDFZQZNN-UHFFFAOYSA-N 1 0 336.435 4.382 50 0 EIAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1SC ZINC000014093387 563739207 /nfs/dbraw/zinc/73/92/07/563739207.db2.gz UHPKJXCOPKWGTI-UHFFFAOYSA-N 1 0 342.508 4.180 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000014180148 563747454 /nfs/dbraw/zinc/74/74/54/563747454.db2.gz DJVKTDDORGVGFE-INIZCTEOSA-N 1 0 337.250 4.026 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cc1F ZINC000032851136 563762711 /nfs/dbraw/zinc/76/27/11/563762711.db2.gz HFLSHCPPMBBRGF-BZNIZROVSA-N 1 0 332.806 4.083 50 0 EIAARO CCCC[C@H]1C[N@H+](Cc2c(C)nn(CC)c2C)Cc2ccccc2O1 ZINC000014879837 563766426 /nfs/dbraw/zinc/76/64/26/563766426.db2.gz ZBONGPBQLXPHKD-IBGZPJMESA-N 1 0 341.499 4.473 50 0 EIAARO Cc1nc(-c2ccncc2)ncc1[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000015064623 563774750 /nfs/dbraw/zinc/77/47/50/563774750.db2.gz WQENKDDTTSYRQO-MRXNPFEDSA-N 1 0 332.451 4.130 50 0 EIAARO Fc1ccc(N[C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000015073923 563776413 /nfs/dbraw/zinc/77/64/13/563776413.db2.gz OKGRZUQCAVNMNS-LJQANCHMSA-N 1 0 335.426 4.450 50 0 EIAARO Fc1ccc(N[C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)cc1 ZINC000015073924 563776477 /nfs/dbraw/zinc/77/64/77/563776477.db2.gz OKGRZUQCAVNMNS-IBGZPJMESA-N 1 0 335.426 4.450 50 0 EIAARO CSc1ccc(Cl)c(C(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000015140300 563779155 /nfs/dbraw/zinc/77/91/55/563779155.db2.gz IHRPPAQSCBLBNU-UHFFFAOYSA-N 1 0 348.899 4.054 50 0 EIAARO C[N@H+](CC(=O)NCCC1=CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000015261673 563780669 /nfs/dbraw/zinc/78/06/69/563780669.db2.gz GHJBLJSCXHLLLE-HXUWFJFHSA-N 1 0 326.484 4.003 50 0 EIAARO FC(F)(F)c1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000016662636 563819788 /nfs/dbraw/zinc/81/97/88/563819788.db2.gz UBOCWKZJKVWXEI-UHFFFAOYSA-N 1 0 326.406 4.156 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000017070674 563833257 /nfs/dbraw/zinc/83/32/57/563833257.db2.gz YAEMMARRCSDQQO-UHFFFAOYSA-N 1 0 335.879 4.131 50 0 EIAARO Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)oc2c1c(C)ccc2C ZINC000072026501 563860513 /nfs/dbraw/zinc/86/05/13/563860513.db2.gz AYMKEAVRSGMEKX-MRXNPFEDSA-N 1 0 330.472 4.064 50 0 EIAARO Cc1c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)oc2c1c(C)ccc2C ZINC000072026500 563860543 /nfs/dbraw/zinc/86/05/43/563860543.db2.gz AYMKEAVRSGMEKX-INIZCTEOSA-N 1 0 330.472 4.064 50 0 EIAARO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)c2)cc1 ZINC000025810921 563888689 /nfs/dbraw/zinc/88/86/89/563888689.db2.gz DOVKUHZNMNOBDZ-OAQYLSRUSA-N 1 0 333.435 4.218 50 0 EIAARO CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCCCC1 ZINC000027741258 563899371 /nfs/dbraw/zinc/89/93/71/563899371.db2.gz UGKNKMKDOLJJDF-FQEVSTJZSA-N 1 0 330.516 4.465 50 0 EIAARO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1Br ZINC000023280231 563906310 /nfs/dbraw/zinc/90/63/10/563906310.db2.gz GPCNSULUIGMSGF-CYBMUJFWSA-N 1 0 334.257 4.266 50 0 EIAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1(c2ccccc2)CC1 ZINC000030637606 563910124 /nfs/dbraw/zinc/91/01/24/563910124.db2.gz LCCWUBYQGSRUME-UHFFFAOYSA-N 1 0 349.453 4.450 50 0 EIAARO CCC[N@H+](Cc1ccccc1)Cc1cc(=O)oc2ccc(OC)cc12 ZINC000033018692 563914757 /nfs/dbraw/zinc/91/47/57/563914757.db2.gz JAPPIYUVSFDJGF-UHFFFAOYSA-N 1 0 337.419 4.214 50 0 EIAARO COc1cc(OC)c(C[N@H+](C)C2CCCCC2)cc1Br ZINC000023282154 563919387 /nfs/dbraw/zinc/91/93/87/563919387.db2.gz LRSYZDQNMLCCCN-UHFFFAOYSA-N 1 0 342.277 4.231 50 0 EIAARO O[C@@H](C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000034879006 563919873 /nfs/dbraw/zinc/91/98/73/563919873.db2.gz NLYDMZIZDAUGBL-WMZOPIPTSA-N 1 0 338.476 4.209 50 0 EIAARO Brc1ccc(OC[C@@H]2CC[NH2+]C2)c(-c2ccccc2)c1 ZINC000042770695 563924929 /nfs/dbraw/zinc/92/49/29/563924929.db2.gz YGMQODUKWVNZRQ-CYBMUJFWSA-N 1 0 332.241 4.104 50 0 EIAARO Cc1ccccc1C[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000060339718 563931588 /nfs/dbraw/zinc/93/15/88/563931588.db2.gz HKJJFMIBUNTJMH-QGZVFWFLSA-N 1 0 332.488 4.074 50 0 EIAARO Cc1cc2oc(=O)cc(C[N@H+](C)Cc3cccc(F)c3)c2cc1C ZINC000058167034 563938728 /nfs/dbraw/zinc/93/87/28/563938728.db2.gz SEBHDCTVYFWHHJ-UHFFFAOYSA-N 1 0 325.383 4.181 50 0 EIAARO c1ccc(Cc2noc(C[N@@H+]3CCC[C@@H]3C3CCCCC3)n2)cc1 ZINC000058209046 563939838 /nfs/dbraw/zinc/93/98/38/563939838.db2.gz CDFVESZUEWPTFV-GOSISDBHSA-N 1 0 325.456 4.205 50 0 EIAARO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000058391948 563944500 /nfs/dbraw/zinc/94/45/00/563944500.db2.gz KHKOKUQVFXDINV-HNNXBMFYSA-N 1 0 332.463 4.048 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1cn(C(C)=O)c2ccccc12)Cc1cccnc1 ZINC000063846914 563956182 /nfs/dbraw/zinc/95/61/82/563956182.db2.gz PTTZELQHIXMVPC-MRXNPFEDSA-N 1 0 335.451 4.497 50 0 EIAARO Cc1c[nH+]ccc1-n1nc(C(C)C)nc1-c1cc2cccnc2nc1C ZINC000065396605 563959725 /nfs/dbraw/zinc/95/97/25/563959725.db2.gz SYTVHGJGFGKAAQ-UHFFFAOYSA-N 1 0 344.422 4.013 50 0 EIAARO CC[NH+](CC)CCn1cnc(-c2ccccc2)c1-c1cnc(C)s1 ZINC000065399114 563959872 /nfs/dbraw/zinc/95/98/72/563959872.db2.gz RLQCLFNNUKWKDG-UHFFFAOYSA-N 1 0 340.496 4.324 50 0 EIAARO COc1cccc([C@H]2CC[N@@H+]2CCC(=O)Nc2cc(C)ccc2C)c1 ZINC000065461735 563961153 /nfs/dbraw/zinc/96/11/53/563961153.db2.gz YXQXOYIYJSFEIK-HXUWFJFHSA-N 1 0 338.451 4.088 50 0 EIAARO CO[C@@H](C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C)c1ccccc1 ZINC000060528554 563964570 /nfs/dbraw/zinc/96/45/70/563964570.db2.gz NSLQESVKPRZTRQ-NRFANRHFSA-N 1 0 349.478 4.473 50 0 EIAARO CCc1ncc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)cn1 ZINC000071746854 563964942 /nfs/dbraw/zinc/96/49/42/563964942.db2.gz QJCCQCYKZUDUGV-HNNXBMFYSA-N 1 0 345.437 4.162 50 0 EIAARO CCc1cc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccc(C)cc2)on1 ZINC000075448544 563967308 /nfs/dbraw/zinc/96/73/08/563967308.db2.gz OTJKULHEWCTKJK-SFHVURJKSA-N 1 0 336.439 4.273 50 0 EIAARO c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2ccc(-c3ccccn3)cc2)cn1 ZINC000077505990 563970103 /nfs/dbraw/zinc/97/01/03/563970103.db2.gz BIMFAIGQAXVNNU-NRFANRHFSA-N 1 0 346.478 4.390 50 0 EIAARO Cc1cnc(CN[C@@H](C)c2ccc(Oc3cccnc3)c(F)c2)o1 ZINC000097230692 563970716 /nfs/dbraw/zinc/97/07/16/563970716.db2.gz PGFHXWQUKHPFAQ-ZDUSSCGKSA-N 1 0 327.359 4.160 50 0 EIAARO CCc1nc(C)sc1C[NH+]1CCC(c2nccn2CC2CC2)CC1 ZINC000082108076 563972324 /nfs/dbraw/zinc/97/23/24/563972324.db2.gz KUAAWEBQLUIFKD-UHFFFAOYSA-N 1 0 344.528 4.000 50 0 EIAARO c1ccc2c(c1)-c1ccccc1C2[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082157210 563972742 /nfs/dbraw/zinc/97/27/42/563972742.db2.gz ARPBNEAEBNZOBM-MRXNPFEDSA-N 1 0 335.447 4.074 50 0 EIAARO CC(C)[NH+]1CCC(Nc2cccc(CSC3CCOCC3)c2)CC1 ZINC000097082138 563973190 /nfs/dbraw/zinc/97/31/90/563973190.db2.gz GLSSOKPXIUEZSO-UHFFFAOYSA-N 1 0 348.556 4.384 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cc1C ZINC000033312151 563973568 /nfs/dbraw/zinc/97/35/68/563973568.db2.gz RRLMVZLILVEPSO-INIZCTEOSA-N 1 0 343.515 4.279 50 0 EIAARO Cc1c(Cl)ccc(OCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000016247456 563976222 /nfs/dbraw/zinc/97/62/22/563976222.db2.gz PSYQTMZSCPLXOX-OKILXGFUSA-N 1 0 325.880 4.225 50 0 EIAARO C[N@H+](Cc1ccccc1NC(=O)N1CCSCC1)C1CCCCC1 ZINC000095517487 563977310 /nfs/dbraw/zinc/97/73/10/563977310.db2.gz FSANJGXSZUUUDJ-UHFFFAOYSA-N 1 0 347.528 4.032 50 0 EIAARO CCC[C@@H]([NH2+][C@@H](CCC)[C@@H](O)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000033397653 563983585 /nfs/dbraw/zinc/98/35/85/563983585.db2.gz BCXARWAGLICOTL-LRSLUSHPSA-N 1 0 341.495 4.381 50 0 EIAARO CC1CCC([NH+]2CCC(N(C)c3ncnc4sccc43)CC2)CC1 ZINC000060874488 563983675 /nfs/dbraw/zinc/98/36/75/563983675.db2.gz JQKRITFZFBGKMR-UHFFFAOYSA-N 1 0 344.528 4.171 50 0 EIAARO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2CCC3)cc1 ZINC000000113736 563986653 /nfs/dbraw/zinc/98/66/53/563986653.db2.gz OIZBXXINJIVFKO-IBGZPJMESA-N 1 0 348.837 4.347 50 0 EIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)c(C)c1 ZINC000000263804 563989832 /nfs/dbraw/zinc/98/98/32/563989832.db2.gz XNCRMZIYHBAZGF-INIZCTEOSA-N 1 0 345.512 4.218 50 0 EIAARO Cc1ccc(-c2nc3ccccc3c(N(C)C3CC[NH+](C)CC3)n2)cc1 ZINC000000339585 563991321 /nfs/dbraw/zinc/99/13/21/563991321.db2.gz ZOXGTPAJSZQQQL-UHFFFAOYSA-N 1 0 346.478 4.136 50 0 EIAARO COCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247827259 563996403 /nfs/dbraw/zinc/99/64/03/563996403.db2.gz GELYEOAWLKVIIP-UHFFFAOYSA-N 1 0 328.843 4.079 50 0 EIAARO C[C@H](c1ccc(C2CCCC2)cc1)N(C)C(=O)C[NH+]1CCCCC1 ZINC000033884238 563999896 /nfs/dbraw/zinc/99/98/96/563999896.db2.gz QDSLHMSMMBSBBA-QGZVFWFLSA-N 1 0 328.500 4.350 50 0 EIAARO C[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@@H]1CCCO1 ZINC000005348060 564002997 /nfs/dbraw/zinc/00/29/97/564002997.db2.gz RTOVSWPWNYKPES-SLYNCCJLSA-N 1 0 331.500 4.061 50 0 EIAARO COc1cc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1OC ZINC000000183488 564012150 /nfs/dbraw/zinc/01/21/50/564012150.db2.gz UCXXVXIRWXGCGZ-SMDDNHRTSA-N 1 0 342.277 4.135 50 0 EIAARO Cc1[nH]c2ccccc2c1[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000536866 564022204 /nfs/dbraw/zinc/02/22/04/564022204.db2.gz WXLYJHGMWISTGO-JOCHJYFZSA-N 1 0 348.490 4.464 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016599302 564024647 /nfs/dbraw/zinc/02/46/47/564024647.db2.gz JWCUHSJXTXDQDA-INIZCTEOSA-N 1 0 337.250 4.026 50 0 EIAARO Cc1ccc(N2C(=O)[C@H](C[NH+]3CCCCC3)[C@H]2c2ccccc2)cc1 ZINC000005738749 564024774 /nfs/dbraw/zinc/02/47/74/564024774.db2.gz OMOXCNHOHLCAAM-NHCUHLMSSA-N 1 0 334.463 4.185 50 0 EIAARO C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000048709600 564032100 /nfs/dbraw/zinc/03/21/00/564032100.db2.gz GKEGQBZULHSFQH-GFCCVEGCSA-N 1 0 330.378 4.164 50 0 EIAARO Cc1nc(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)oc1-c1ccc(Cl)cc1 ZINC000225333735 564046036 /nfs/dbraw/zinc/04/60/36/564046036.db2.gz ZJFWYQUUFHJRQS-YJYMSZOUSA-N 1 0 348.874 4.286 50 0 EIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCC1CCCCC1 ZINC000012542115 564058716 /nfs/dbraw/zinc/05/87/16/564058716.db2.gz AHXNIKSTCNVZJI-UHFFFAOYSA-N 1 0 343.515 4.046 50 0 EIAARO CCCCN(Cc1cccc(Cl)c1)C(=O)c1cccc(C[NH3+])c1 ZINC000534649372 564061513 /nfs/dbraw/zinc/06/15/13/564061513.db2.gz TURKVVROSPJPIK-UHFFFAOYSA-N 1 0 330.859 4.241 50 0 EIAARO c1csc([C@@H](CNc2ncnc3sccc32)[NH+]2CCCC2)c1 ZINC000012747945 564065994 /nfs/dbraw/zinc/06/59/94/564065994.db2.gz QIXMDIUHESGGMI-CYBMUJFWSA-N 1 0 330.482 4.002 50 0 EIAARO O[C@H]1CCC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000084392874 564068034 /nfs/dbraw/zinc/06/80/34/564068034.db2.gz FVOKCGBYNZRHBD-FQEVSTJZSA-N 1 0 345.433 4.334 50 0 EIAARO CC[N@H+](C)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)OC ZINC000084760871 564070075 /nfs/dbraw/zinc/07/00/75/564070075.db2.gz WQGCGJIKBZTWSZ-UHFFFAOYSA-N 1 0 334.419 4.140 50 0 EIAARO CCOCCC[NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1 ZINC000032514165 564072338 /nfs/dbraw/zinc/07/23/38/564072338.db2.gz JJMJTYBAIZRVIA-HXUWFJFHSA-N 1 0 336.435 4.108 50 0 EIAARO Cc1ccc(C(C)C)c(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000005968100 564072765 /nfs/dbraw/zinc/07/27/65/564072765.db2.gz ZDOYPOMEISNALF-IEBWSBKVSA-N 1 0 327.468 4.209 50 0 EIAARO Cc1ccc(NC(=O)C2=CC[N@H+](Cc3ccc(F)cc3)CC2)cc1F ZINC000015861034 564076882 /nfs/dbraw/zinc/07/68/82/564076882.db2.gz KYQKLBDCACMVAW-UHFFFAOYSA-N 1 0 342.389 4.044 50 0 EIAARO CCCn1c(C[NH+]2CCC(C)CC2)nc2cc(NC(=O)CC)ccc21 ZINC000026121468 564077298 /nfs/dbraw/zinc/07/72/98/564077298.db2.gz DJPGRTSKPVJRPM-UHFFFAOYSA-N 1 0 342.487 4.027 50 0 EIAARO CCCCOCC[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000075094093 564079914 /nfs/dbraw/zinc/07/99/14/564079914.db2.gz ILDCVAOPVJYBCL-UHFFFAOYSA-N 1 0 336.863 4.477 50 0 EIAARO C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000024664059 564082911 /nfs/dbraw/zinc/08/29/11/564082911.db2.gz QQSBFCYTIJKPHG-HZPDHXFCSA-N 1 0 349.434 4.034 50 0 EIAARO Cc1cc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)c(C)o1 ZINC000575621462 564083957 /nfs/dbraw/zinc/08/39/57/564083957.db2.gz XDFFNGUVFZFSLV-UHFFFAOYSA-N 1 0 335.407 4.349 50 0 EIAARO c1ccc(OCCOc2ccc(C[C@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC000001900547 564089210 /nfs/dbraw/zinc/08/92/10/564089210.db2.gz RNXDIOGUOAVZFX-FQEVSTJZSA-N 1 0 337.463 4.029 50 0 EIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2)N3)C1 ZINC000006594376 564092534 /nfs/dbraw/zinc/09/25/34/564092534.db2.gz KHYZJXLSWMHELY-HNNXBMFYSA-N 1 0 347.871 4.208 50 0 EIAARO CCCN(Cc1ccc(Cl)cc1)c1cc([C@@H]2CCOC2)nc(C)n1 ZINC000426370522 564093512 /nfs/dbraw/zinc/09/35/12/564093512.db2.gz MREZCWRAOSHMSE-MRXNPFEDSA-N 1 0 345.874 4.359 50 0 EIAARO Nc1cc[nH+]c(-c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000426405202 564093641 /nfs/dbraw/zinc/09/36/41/564093641.db2.gz WSTNQKLQAGRYIR-UHFFFAOYSA-N 1 0 347.462 4.029 50 0 EIAARO CC(C)Oc1ccc(OCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000006624463 564094594 /nfs/dbraw/zinc/09/45/94/564094594.db2.gz WFGYKJPBHDEMPA-NRFANRHFSA-N 1 0 340.467 4.475 50 0 biogenic EIAARO CC(C)Oc1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000006624462 564094649 /nfs/dbraw/zinc/09/46/49/564094649.db2.gz WFGYKJPBHDEMPA-OAQYLSRUSA-N 1 0 340.467 4.475 50 0 biogenic EIAARO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169678663 564098111 /nfs/dbraw/zinc/09/81/11/564098111.db2.gz NJDZQVWFUNLYOV-QFBILLFUSA-N 1 0 347.886 4.380 50 0 EIAARO COc1ccc(-c2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1OC ZINC000007001498 564102985 /nfs/dbraw/zinc/10/29/85/564102985.db2.gz HZMYFGMYYPWYMU-OKILXGFUSA-N 1 0 346.496 4.305 50 0 EIAARO C[N@H+](CCNC(=O)c1cc2cn(C3CC3)cc2s1)C1CCCCC1 ZINC000065285714 564104345 /nfs/dbraw/zinc/10/43/45/564104345.db2.gz DUNZEIMNXIXKGC-UHFFFAOYSA-N 1 0 345.512 4.032 50 0 EIAARO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1nc(-c2ccncc2)no1 ZINC000065286103 564104389 /nfs/dbraw/zinc/10/43/89/564104389.db2.gz GNJOCUCLGSXHDD-SFHVURJKSA-N 1 0 334.423 4.167 50 0 EIAARO CC(C)c1noc(CNc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)n1 ZINC000065501796 564106614 /nfs/dbraw/zinc/10/66/14/564106614.db2.gz KDBVXYBDUYQOQV-CQSZACIVSA-N 1 0 328.460 4.165 50 0 EIAARO C[C@H](C(=O)c1c[nH]c2ccccc12)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000065623566 564108531 /nfs/dbraw/zinc/10/85/31/564108531.db2.gz AHHMBQNPABXZPR-OAHLLOKOSA-N 1 0 348.446 4.324 50 0 EIAARO Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(Br)o1 ZINC000170615552 564109973 /nfs/dbraw/zinc/10/99/73/564109973.db2.gz UOLMUDGBXQRYMQ-DTWKUNHWSA-N 1 0 327.222 4.101 50 0 EIAARO O=C(Nc1cc(Cl)cc(Cl)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000170627495 564110458 /nfs/dbraw/zinc/11/04/58/564110458.db2.gz VCBHKISVLGILGC-HNNXBMFYSA-N 1 0 342.270 4.086 50 0 EIAARO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccc2ccccc2c1 ZINC000076056565 564115030 /nfs/dbraw/zinc/11/50/30/564115030.db2.gz TVQGSTZAPQIFKA-XFQAVAEZSA-N 1 0 336.479 4.137 50 0 EIAARO C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccc(-n2cccn2)cc1 ZINC000089904943 564115042 /nfs/dbraw/zinc/11/50/42/564115042.db2.gz WEAHEUPFFJRFQE-CQSZACIVSA-N 1 0 338.480 4.447 50 0 EIAARO CCOC(=O)c1c(C[N@H+](C)[C@H]2CCC[C@@H]2SC)oc2ccccc21 ZINC000076089749 564115609 /nfs/dbraw/zinc/11/56/09/564115609.db2.gz HCEUSORQMVIKQK-YOEHRIQHSA-N 1 0 347.480 4.325 50 0 EIAARO COc1ccc2cc(C[NH2+]C[C@@H](c3ccnn3C)C(C)C)ccc2c1 ZINC000252509011 564120023 /nfs/dbraw/zinc/12/00/23/564120023.db2.gz YAUMRZDCGGOHPU-HXUWFJFHSA-N 1 0 337.467 4.111 50 0 EIAARO CCN(Cc1nc(CCC(C)C)no1)Cc1ccc2[nH]ccc2c1 ZINC000252537420 564120589 /nfs/dbraw/zinc/12/05/89/564120589.db2.gz LDJKVZJTUSKSEY-UHFFFAOYSA-N 1 0 326.444 4.162 50 0 EIAARO Cc1cccc(C2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCCCC2)c1 ZINC000253419451 564130923 /nfs/dbraw/zinc/13/09/23/564130923.db2.gz SGDHBMROYUMTII-OALUTQOASA-N 1 0 342.527 4.043 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)c1ccncc1 ZINC000095967101 564143004 /nfs/dbraw/zinc/14/30/04/564143004.db2.gz HASZEFNXAZPMFZ-MGPLVRAMSA-N 1 0 335.220 4.321 50 0 EIAARO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000096476957 564148482 /nfs/dbraw/zinc/14/84/82/564148482.db2.gz APPLJYRMPBFTAC-LBPRGKRZSA-N 1 0 341.377 4.077 50 0 EIAARO CC1CCC([N@H+](Cc2nnc(C3CCC3)o2)C2CCC(O)CC2)CC1 ZINC000096486851 564148678 /nfs/dbraw/zinc/14/86/78/564148678.db2.gz NNZKLCYFFCYETG-UHFFFAOYSA-N 1 0 347.503 4.021 50 0 EIAARO Cn1cc(-c2cccc(C[NH2+][C@H]3CCCNc4ccccc43)c2)cn1 ZINC000225576667 564149775 /nfs/dbraw/zinc/14/97/75/564149775.db2.gz RHVKSNUBUGGXEP-NRFANRHFSA-N 1 0 332.451 4.124 50 0 EIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2cc(C)cc(C)c2)CC1 ZINC000003060048 564154819 /nfs/dbraw/zinc/15/48/19/564154819.db2.gz LNYADQIWPKISMP-INIZCTEOSA-N 1 0 333.545 4.195 50 0 EIAARO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]Cc1nc(C)sc1C ZINC000353552963 564156962 /nfs/dbraw/zinc/15/69/62/564156962.db2.gz ABOGEGXZIVDQQA-JENIJYKNSA-N 1 0 330.497 4.201 50 0 EIAARO Cc1ccc([C@H](C(=O)NC2CCCCC2)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000058012676 564157172 /nfs/dbraw/zinc/15/71/72/564157172.db2.gz QRHFGHHFRSTMOW-FXAWDEMLSA-N 1 0 328.500 4.217 50 0 EIAARO Cc1ccc([C@H](C(=O)NC2CCCCC2)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000058012654 564157210 /nfs/dbraw/zinc/15/72/10/564157210.db2.gz VDERFUJMNKLXHF-BBTUJRGHSA-N 1 0 342.527 4.463 50 0 EIAARO CN1CCC([NH2+]CC[C@@](C)(Cc2ccccc2)c2ccccc2)CC1 ZINC000031807729 564159929 /nfs/dbraw/zinc/15/99/29/564159929.db2.gz YJFGBFWRWATYMM-QHCPKHFHSA-N 1 0 336.523 4.261 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccsc1 ZINC000031992897 564160391 /nfs/dbraw/zinc/16/03/91/564160391.db2.gz ZQXNQTAQCNUSFZ-MRXNPFEDSA-N 1 0 342.464 4.307 50 0 EIAARO CC1(C)C[C@H]([NH2+][C@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 ZINC000032124144 564160901 /nfs/dbraw/zinc/16/09/01/564160901.db2.gz UNXPLMJNVBBABN-YLJYHZDGSA-N 1 0 339.435 4.052 50 0 biogenic EIAARO Cc1cc(C[NH2+][C@H](C)c2ccncc2)c(C)n1-c1ccnn1C(C)C ZINC000007985281 564161826 /nfs/dbraw/zinc/16/18/26/564161826.db2.gz DXTGKGHPWAFTDC-MRXNPFEDSA-N 1 0 337.471 4.117 50 0 EIAARO Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000008184964 564163397 /nfs/dbraw/zinc/16/33/97/564163397.db2.gz SXDKLWCNDGLUQF-MRXNPFEDSA-N 1 0 329.469 4.015 50 0 EIAARO C[C@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000008186449 564163402 /nfs/dbraw/zinc/16/34/02/564163402.db2.gz YTHSGZOZDBJQFU-KRWDZBQOSA-N 1 0 343.515 4.316 50 0 EIAARO C[NH+](C)CC(C)(C)CNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000008328879 564164498 /nfs/dbraw/zinc/16/44/98/564164498.db2.gz NREGKPGUOZIIGJ-UHFFFAOYSA-N 1 0 343.496 4.234 50 0 EIAARO c1nn(-c2ccccc2)cc1CC[NH2+]Cc1cccc2ccccc21 ZINC000071844488 564175905 /nfs/dbraw/zinc/17/59/05/564175905.db2.gz PYEIQLBWBYORFD-UHFFFAOYSA-N 1 0 327.431 4.358 50 0 EIAARO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000022146891 1021122669 /nfs/dbraw/zinc/12/26/69/1021122669.db2.gz XHSNZRPAPMLASS-SFHVURJKSA-N 1 0 329.484 4.384 50 0 EIAARO C[N@H+](Cc1cc(-c2ccco2)on1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177794842 1021705549 /nfs/dbraw/zinc/70/55/49/1021705549.db2.gz UNMIUXRVZJUSKW-GOSISDBHSA-N 1 0 337.423 4.035 50 0 EIAARO Cc1ccc(Cl)c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000120567768 1028521258 /nfs/dbraw/zinc/52/12/58/1028521258.db2.gz DDIXAMJDVBCXCB-UHFFFAOYSA-N 1 0 335.879 4.177 50 0 EIAARO Clc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)s1 ZINC000039371590 1031154920 /nfs/dbraw/zinc/15/49/20/1031154920.db2.gz AERCABCMRDVEAX-SFHVURJKSA-N 1 0 338.948 4.490 50 0 EIAARO COc1cc2c(cc1OC)C[N@H+](CC[C@H](C)c1ccccc1)CC2 ZINC000023281265 1031354438 /nfs/dbraw/zinc/35/44/38/1031354438.db2.gz UVQUJLCPUSGRBU-INIZCTEOSA-N 1 0 325.452 4.256 50 0 EIAARO CC[C@@H](c1ccc(OC)cc1)[N@H+](C)Cc1cc(-c2cccnc2)no1 ZINC000252496808 1034266087 /nfs/dbraw/zinc/26/60/87/1034266087.db2.gz PSDDNZCWUIFYMY-FQEVSTJZSA-N 1 0 337.423 4.328 50 0 EIAARO Cc1ccc(-c2nc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)cs2)cc1 ZINC000792941794 1040315121 /nfs/dbraw/zinc/31/51/21/1040315121.db2.gz XENQXUNBTSIPDW-LJQANCHMSA-N 1 0 328.481 4.121 50 0 EIAARO c1csc(CN2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000012471435 1043461886 /nfs/dbraw/zinc/46/18/86/1043461886.db2.gz KSTJRJDSRFNGQR-NRFANRHFSA-N 1 0 340.536 4.279 50 0 EIAARO CC[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000012385638 1045138184 /nfs/dbraw/zinc/13/81/84/1045138184.db2.gz VKTXEJIEKRIODC-UHFFFAOYSA-N 1 0 342.414 4.288 50 0 EIAARO CCCn1c(C)cnc1C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2)C1 ZINC000575317480 1045212038 /nfs/dbraw/zinc/21/20/38/1045212038.db2.gz KTCCKDCZSDHAKD-IBGZPJMESA-N 1 0 341.499 4.065 50 0 EIAARO Cc1cnc(CCNC(=O)c2ccsc2)n1C1CCCCCC1 ZINC000575316588 1045213147 /nfs/dbraw/zinc/21/31/47/1045213147.db2.gz QIBGCFLPHPKUDR-UHFFFAOYSA-N 1 0 331.485 4.121 50 0 EIAARO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc(OC(C)C)c(Cl)c1 ZINC000585081451 1049390080 /nfs/dbraw/zinc/39/00/80/1049390080.db2.gz MIBDHHZUFZAIKD-ZDUSSCGKSA-N 1 0 349.906 4.371 50 0 EIAARO OCC[C@@H]1CCCCC[N@@H+]1Cc1csc(-c2ccccc2F)n1 ZINC000585081326 1049390701 /nfs/dbraw/zinc/39/07/01/1049390701.db2.gz DQJKMFVEDWXNJU-HNNXBMFYSA-N 1 0 334.460 4.076 50 0 EIAARO COc1cccc2[nH]cc(CC[NH2+][C@@H]3CCCNc4ccccc43)c21 ZINC000193273353 1049515457 /nfs/dbraw/zinc/51/54/57/1049515457.db2.gz YJICBOBAKKNPKP-GOSISDBHSA-N 1 0 335.451 4.256 50 0 EIAARO CC(=O)c1ccc(NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc1 ZINC000952989563 1049691250 /nfs/dbraw/zinc/69/12/50/1049691250.db2.gz WFXUJYUCYKBYCZ-HXUWFJFHSA-N 1 0 337.467 4.141 50 0 EIAARO COC[C@H](C)N(Cc1ccccc1C)Cc1cccc(O)c1Cl ZINC000952985978 1049692588 /nfs/dbraw/zinc/69/25/88/1049692588.db2.gz VFTPLXZTSRQJCS-HNNXBMFYSA-N 1 0 333.859 4.391 50 0 EIAARO CCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC23CCCCC3)cc1 ZINC000449253952 1054245582 /nfs/dbraw/zinc/24/55/82/1054245582.db2.gz VFJYRECUCCOVLC-SFHVURJKSA-N 1 0 335.513 4.073 50 0 EIAARO CCC(=O)N1CCC([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000581802925 1060003537 /nfs/dbraw/zinc/00/35/37/1060003537.db2.gz OXQNYYLIPYEXJR-NRFANRHFSA-N 1 0 340.511 4.395 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@H]1CCN(C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000581807605 1060017128 /nfs/dbraw/zinc/01/71/28/1060017128.db2.gz KNPOIGSHHIGTEC-SFHVURJKSA-N 1 0 338.455 4.165 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000581807530 1060018286 /nfs/dbraw/zinc/01/82/86/1060018286.db2.gz NYWGQARRCANQGX-SFHVURJKSA-N 1 0 343.515 4.278 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000581808683 1060022137 /nfs/dbraw/zinc/02/21/37/1060022137.db2.gz GJXXTFYEAPMHMW-UHFFFAOYSA-N 1 0 342.418 4.077 50 0 EIAARO Cc1nccn1CC[N@@H+](C)C[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000097604269 219040643 /nfs/dbraw/zinc/04/06/43/219040643.db2.gz FSHQETYHOUTJFD-JOCHJYFZSA-N 1 0 345.490 4.130 50 0 EIAARO Cc1cccc(-c2ncc(C[NH2+]Cc3cccc4[nH]ccc43)cn2)c1 ZINC000055042152 214266612 /nfs/dbraw/zinc/26/66/12/214266612.db2.gz VCAZRFWHVBOBPK-UHFFFAOYSA-N 1 0 328.419 4.223 50 0 EIAARO CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@@H](C)C[N@H+](C)C(C)C ZINC000055255983 214296247 /nfs/dbraw/zinc/29/62/47/214296247.db2.gz OFIDGXWOHNDHHD-INIZCTEOSA-N 1 0 347.503 4.039 50 0 EIAARO COc1ccccc1C[N@H+](Cc1cccc(Cn2cccn2)c1)C1CC1 ZINC000055344557 214310624 /nfs/dbraw/zinc/31/06/24/214310624.db2.gz GUSSNXIMTRMDGJ-UHFFFAOYSA-N 1 0 347.462 4.105 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)Nc1c(C)cc(C)cc1C)CC(C)C ZINC000058209315 214504704 /nfs/dbraw/zinc/50/47/04/214504704.db2.gz ZJKLFOQURVMXQV-SFHVURJKSA-N 1 0 333.520 4.490 50 0 EIAARO CCN(CC)c1ccc2cc(C(=O)Nc3cccc(C)c3)c(=[NH2+])oc2c1 ZINC000004635295 210235821 /nfs/dbraw/zinc/23/58/21/210235821.db2.gz OEAQNBMDRUHXAG-UHFFFAOYSA-N 1 0 349.434 4.319 50 0 EIAARO CCCCCCOc1cccc(NC(=O)O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000004566630 210221601 /nfs/dbraw/zinc/22/16/01/210221601.db2.gz IRDQWHHOSOSGMN-LJQANCHMSA-N 1 0 346.471 4.288 50 0 EIAARO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100658565 219103625 /nfs/dbraw/zinc/10/36/25/219103625.db2.gz AYNJLMVJFJIIRO-OKILXGFUSA-N 1 0 330.497 4.272 50 0 EIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccc(C)cc1 ZINC000004413637 210189167 /nfs/dbraw/zinc/18/91/67/210189167.db2.gz BRJYMRLUYAFOOL-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO CCC[NH+](CCC)[C@H](C(=O)Nc1cccc(OC)c1)c1ccccc1 ZINC000004144457 210131973 /nfs/dbraw/zinc/13/19/73/210131973.db2.gz VGWHYDHPBLEXST-FQEVSTJZSA-N 1 0 340.467 4.497 50 0 EIAARO CCCc1nc2ccccc2c(NC(=O)C[NH2+]C(C)(C)C)c1CC ZINC000004043566 210108064 /nfs/dbraw/zinc/10/80/64/210108064.db2.gz XJKGLHXLPKXIDN-UHFFFAOYSA-N 1 0 327.472 4.076 50 0 EIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]Cc4ccccc4)[C@H]3C=C12 ZINC000004029299 210103542 /nfs/dbraw/zinc/10/35/42/210103542.db2.gz PZPFREVHDDOFIN-XQSLOUTOSA-N 1 0 339.479 4.090 50 0 biogenic EIAARO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1OC(=O)C(c1ccccc1)c1ccccc1 ZINC000004011370 210100398 /nfs/dbraw/zinc/10/03/98/210100398.db2.gz STYAGPHRIVPVTJ-UWVAXJGDSA-N 1 0 337.463 4.090 50 0 EIAARO Cc1ccc(C[NH2+][C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000003339036 210012447 /nfs/dbraw/zinc/01/24/47/210012447.db2.gz PMFRQAKGJWDBHX-CYBMUJFWSA-N 1 0 336.357 4.131 50 0 EIAARO CSc1ccc2cc(C[N@H+](C)[C@H](C)c3ccco3)c(=O)[nH]c2c1 ZINC000067447375 215147670 /nfs/dbraw/zinc/14/76/70/215147670.db2.gz KRGQEQZBZBXJHN-GFCCVEGCSA-N 1 0 328.437 4.036 50 0 EIAARO CC(C)c1cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)[nH]n1 ZINC000067674711 215178920 /nfs/dbraw/zinc/17/89/20/215178920.db2.gz XRIQKACNMUSFNK-UHFFFAOYSA-N 1 0 334.467 4.461 50 0 EIAARO CC(C)(C)c1ccccc1OCCOCC[NH2+]CCc1ccccc1 ZINC000002825476 209924259 /nfs/dbraw/zinc/92/42/59/209924259.db2.gz UEUPCASNIWPNFM-UHFFFAOYSA-N 1 0 341.495 4.212 50 0 EIAARO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000002181878 209827760 /nfs/dbraw/zinc/82/77/60/209827760.db2.gz JEAPGVOCVLADJA-UHFFFAOYSA-N 1 0 343.467 4.099 50 0 EIAARO Cn1cc(CCC[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)cn1 ZINC000040151483 213273523 /nfs/dbraw/zinc/27/35/23/213273523.db2.gz VZJKLSMYFVYJSU-GOSISDBHSA-N 1 0 343.521 4.123 50 0 EIAARO Cc1ccc(C)c(C[N@@H+](C[C@@H](O)COCc2ccccc2)C(C)C)c1 ZINC000036103849 213069460 /nfs/dbraw/zinc/06/94/60/213069460.db2.gz SGTZDTLDMSZAKL-JOCHJYFZSA-N 1 0 341.495 4.092 50 0 EIAARO Cc1ccccc1C[N@H+](CC(C)C)C[C@@H](O)COc1ccccc1C ZINC000036099835 213065968 /nfs/dbraw/zinc/06/59/68/213065968.db2.gz NVDTZJVUFLAWKA-OAQYLSRUSA-N 1 0 341.495 4.201 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1C ZINC000036098775 213065207 /nfs/dbraw/zinc/06/52/07/213065207.db2.gz CYEWWCOQGVJLTK-FPOVZHCZSA-N 1 0 341.495 4.344 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1C)C[C@H](O)COCc1ccccc1 ZINC000036104500 213068822 /nfs/dbraw/zinc/06/88/22/213068822.db2.gz XAGKLLZFZIPBBI-KNQAVFIVSA-N 1 0 341.495 4.173 50 0 EIAARO CN1C[C@@]2(CCC[N@H+](Cc3ccc(C4CCCC4)s3)CC2)OC1=O ZINC000072125643 216016179 /nfs/dbraw/zinc/01/61/79/216016179.db2.gz UAXBPLQNRDROHP-IBGZPJMESA-N 1 0 348.512 4.212 50 0 EIAARO CC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1 ZINC000072140303 216026553 /nfs/dbraw/zinc/02/65/53/216026553.db2.gz NCAGZKZYMBVFLK-UHFFFAOYSA-N 1 0 327.399 4.072 50 0 EIAARO c1ccc(C2(c3ccccc3)C[C@@H]2C[NH+]2CC(c3ccncc3)C2)cc1 ZINC000072142955 216027335 /nfs/dbraw/zinc/02/73/35/216027335.db2.gz VZNZERIOBMILGO-HSZRJFAPSA-N 1 0 340.470 4.487 50 0 EIAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072142935 216027437 /nfs/dbraw/zinc/02/74/37/216027437.db2.gz XOSGBUQDCWJRQN-GANRHZMWSA-N 1 0 329.488 4.363 50 0 EIAARO Fc1ccc(CN2CCC[N@H+](Cc3ccc4ccccc4n3)CC2)cc1 ZINC000072131934 216021245 /nfs/dbraw/zinc/02/12/45/216021245.db2.gz RBQJKSHLBQANBW-UHFFFAOYSA-N 1 0 349.453 4.082 50 0 EIAARO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cncn2C2CCCC2)c1 ZINC000072151852 216039150 /nfs/dbraw/zinc/03/91/50/216039150.db2.gz PWFQAQQALLDCRZ-FQEVSTJZSA-N 1 0 325.456 4.344 50 0 EIAARO c1ccc(C2(c3ccccc3)C[C@@H]2C[NH+]2CC(c3ccccn3)C2)cc1 ZINC000072152882 216040563 /nfs/dbraw/zinc/04/05/63/216040563.db2.gz UXKKMGNGWMFCSX-JOCHJYFZSA-N 1 0 340.470 4.487 50 0 EIAARO CC(=O)Nc1cccc(-n2ccnc2-c2ccc([C@H](C)[NH+](C)C)cc2)c1 ZINC000072153093 216042449 /nfs/dbraw/zinc/04/24/49/216042449.db2.gz RVDBQXVVNKSCEN-HNNXBMFYSA-N 1 0 348.450 4.120 50 0 EIAARO Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]Cc2cccnc2)cc1 ZINC000072274459 216097957 /nfs/dbraw/zinc/09/79/57/216097957.db2.gz QDKHZMBRZCYDCI-FQEVSTJZSA-N 1 0 346.409 4.102 50 0 EIAARO CSc1ccccc1C[NH+]1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000072433838 216228701 /nfs/dbraw/zinc/22/87/01/216228701.db2.gz HWEAOTNNINVMFR-FQEVSTJZSA-N 1 0 341.520 4.224 50 0 EIAARO Oc1cccc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000072454699 216243173 /nfs/dbraw/zinc/24/31/73/216243173.db2.gz YCQZRAWEEAQPMJ-FDFHNCONSA-N 1 0 337.463 4.045 50 0 EIAARO CCn1ccc2ccc(C[N@@H+]3CCN(C)[C@H](c4ccccc4)C3)cc21 ZINC000215700098 241139803 /nfs/dbraw/zinc/13/98/03/241139803.db2.gz NGCFKIXPXHBZDW-QFIPXVFZSA-N 1 0 333.479 4.150 50 0 EIAARO Cn1ccc2cc(C[NH+]3CCC([C@H](O)c4cccs4)CC3)ccc21 ZINC000216113261 241167492 /nfs/dbraw/zinc/16/74/92/241167492.db2.gz VDZILAYETSUTRJ-FQEVSTJZSA-N 1 0 340.492 4.185 50 0 EIAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H]3CCC[C@@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000216230616 241173955 /nfs/dbraw/zinc/17/39/55/241173955.db2.gz ARUUIBKLJBLXSB-IUCKATPISA-N 1 0 333.501 4.077 50 0 EIAARO c1cnn(Cc2ccccc2C[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000215405933 241122007 /nfs/dbraw/zinc/12/20/07/241122007.db2.gz RNDQYSUMVKFVLM-OAQYLSRUSA-N 1 0 332.451 4.054 50 0 EIAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1OCC ZINC000021720337 212245148 /nfs/dbraw/zinc/24/51/48/212245148.db2.gz YCDHVELNDAOPOE-KRWDZBQOSA-N 1 0 344.455 4.426 50 0 EIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)cc1OC ZINC000021720596 212243767 /nfs/dbraw/zinc/24/37/67/212243767.db2.gz FBFSISXJLPTSOC-MRXNPFEDSA-N 1 0 330.428 4.036 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC(C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021718172 212243299 /nfs/dbraw/zinc/24/32/99/212243299.db2.gz AUIIVFQZYLSSHN-CALCHBBNSA-N 1 0 343.515 4.217 50 0 EIAARO O=C(c1ccc(F)cc1)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170784 212214406 /nfs/dbraw/zinc/21/44/06/212214406.db2.gz UYULQYXBYQPHDE-IBGZPJMESA-N 1 0 332.463 4.087 50 0 EIAARO CC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000021169858 212214013 /nfs/dbraw/zinc/21/40/13/212214013.db2.gz KBWPUNYOKQYGDV-VXKWHMMOSA-N 1 0 339.479 4.172 50 0 EIAARO O=C(c1ccccc1F)N1CCCC[C@H]1CC[NH+]1CCCCCC1 ZINC000021170925 212213752 /nfs/dbraw/zinc/21/37/52/212213752.db2.gz UYAYCYGSGNDPHU-KRWDZBQOSA-N 1 0 332.463 4.087 50 0 EIAARO Clc1ccc([C@@H](CC[NH+]2CCOCC2)Cc2ccccc2)cc1 ZINC000020517938 212142595 /nfs/dbraw/zinc/14/25/95/212142595.db2.gz CFCRKTBHCVUJHX-IBGZPJMESA-N 1 0 329.871 4.389 50 0 EIAARO CN(C)CC[NH2+]CC[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000020503337 212140120 /nfs/dbraw/zinc/14/01/20/212140120.db2.gz HUTUSNFVJUXFFH-IBGZPJMESA-N 1 0 330.903 4.208 50 0 EIAARO CCN1CC[NH+](CCCCOc2ccccc2-c2ccccc2)CC1 ZINC000020406362 212125238 /nfs/dbraw/zinc/12/52/38/212125238.db2.gz CORZDNTWUWCIHY-UHFFFAOYSA-N 1 0 338.495 4.150 50 0 EIAARO CCc1cc(OCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000020166951 212108279 /nfs/dbraw/zinc/10/82/79/212108279.db2.gz KVLYPGAFXFBFOL-GJZGRUSLSA-N 1 0 325.880 4.171 50 0 EIAARO Cc1ccc([C@H](C(=O)NC2CCCC2)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020108376 212101436 /nfs/dbraw/zinc/10/14/36/212101436.db2.gz RWNXKLSXBTXDBA-MBOZVWFJSA-N 1 0 328.500 4.073 50 0 EIAARO Cc1ccc([C@H](C(=O)NC2CCCCC2)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000020108408 212101191 /nfs/dbraw/zinc/10/11/91/212101191.db2.gz VDERFUJMNKLXHF-DBXWQHBBSA-N 1 0 342.527 4.463 50 0 EIAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3cn(C)c4ccccc34)c2c1 ZINC000019798231 212070092 /nfs/dbraw/zinc/07/00/92/212070092.db2.gz LTHBJHFXNJBMTQ-UHFFFAOYSA-N 1 0 347.462 4.309 50 0 EIAARO CCc1ccc2c(c1)Sc1ccccc1C[C@H]2[NH+]1CCN(C)CC1 ZINC000019802419 212069568 /nfs/dbraw/zinc/06/95/68/212069568.db2.gz MATADNMOHBGGPF-LJQANCHMSA-N 1 0 338.520 4.245 50 0 EIAARO c1ccc(C[NH2+]CCN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000019366740 212022594 /nfs/dbraw/zinc/02/25/94/212022594.db2.gz HMOBWUSEOFAAAA-UHFFFAOYSA-N 1 0 330.475 4.479 50 0 EIAARO CCc1ccc([C@](O)(C[NH2+]Cc2ccccc2)c2ccccc2)cc1 ZINC000019205312 212003812 /nfs/dbraw/zinc/00/38/12/212003812.db2.gz CZLGEIAMXALFAS-QHCPKHFHSA-N 1 0 331.459 4.275 50 0 EIAARO Fc1ccc(-c2c[n+](Cc3ccccc3Cl)c3n2CCC3)cc1 ZINC000017250297 211961456 /nfs/dbraw/zinc/96/14/56/211961456.db2.gz GEEBAUNKNDWCIY-UHFFFAOYSA-N 1 0 327.810 4.230 50 0 EIAARO Fc1ccc(-c2c[n+](Cc3ccc(Cl)cc3)c3n2CCC3)cc1 ZINC000017208032 211960716 /nfs/dbraw/zinc/96/07/16/211960716.db2.gz LGXCEXVZSPVMJN-UHFFFAOYSA-N 1 0 327.810 4.230 50 0 EIAARO CC(C)c1ccc(CN2CCC[C@]3(CC[N@@H+](C(C)C)C3)C2=O)cc1 ZINC000012473371 211390544 /nfs/dbraw/zinc/39/05/44/211390544.db2.gz BMKYSFLJHPPTHH-OAQYLSRUSA-N 1 0 328.500 4.033 50 0 EIAARO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012432878 211379496 /nfs/dbraw/zinc/37/94/96/211379496.db2.gz NUIGUSQLVUEDRL-INIZCTEOSA-N 1 0 348.368 4.195 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)cc1C ZINC000012246342 211329185 /nfs/dbraw/zinc/32/91/85/211329185.db2.gz LEMKJYBDROFACD-GOSISDBHSA-N 1 0 341.499 4.305 50 0 EIAARO CCOc1cc(C[N@@H+]2CCC[C@@H](Nc3cccc(F)c3)C2)ccc1O ZINC000012303916 211339926 /nfs/dbraw/zinc/33/99/26/211339926.db2.gz WGCSEDDJBJJBBJ-GOSISDBHSA-N 1 0 344.430 4.007 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1)c1ccccc1Cl ZINC000011915261 211268487 /nfs/dbraw/zinc/26/84/87/211268487.db2.gz DTUDUCDZOUAWQJ-SFHVURJKSA-N 1 0 330.859 4.153 50 0 EIAARO Cc1ccc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)o1 ZINC000011842838 211255255 /nfs/dbraw/zinc/25/52/55/211255255.db2.gz XBJIRDRVRJOJNN-UHFFFAOYSA-N 1 0 333.859 4.059 50 0 EIAARO COc1ccc2[nH]cc([C@@H](C[NH3+])c3cccc(C(F)(F)F)c3)c2c1 ZINC000091690185 218047972 /nfs/dbraw/zinc/04/79/72/218047972.db2.gz DRIYETNDXNERDA-HNNXBMFYSA-N 1 0 334.341 4.286 50 0 EIAARO C[N@H+](Cc1ccc(C(N)=O)cc1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000011373409 211214817 /nfs/dbraw/zinc/21/48/17/211214817.db2.gz WJCSORZZMVBSBA-NRFANRHFSA-N 1 0 348.421 4.146 50 0 EIAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000010456722 211174107 /nfs/dbraw/zinc/17/41/07/211174107.db2.gz IXNKTCMUWJWAOV-UHFFFAOYSA-N 1 0 336.479 4.219 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000010035747 211144223 /nfs/dbraw/zinc/14/42/23/211144223.db2.gz DPOALMCWVPDCFQ-VXGBXAGGSA-N 1 0 339.361 4.233 50 0 EIAARO COc1ccc([C@H]([NH2+][C@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009547871 211101613 /nfs/dbraw/zinc/10/16/13/211101613.db2.gz VAHZNFBZMLURDU-AZUAARDMSA-N 1 0 325.452 4.332 50 0 EIAARO CC(C)[NH+]1CCC(CC(=O)N[C@H](CC(C)(C)C)c2cccnc2)CC1 ZINC000095355893 218289849 /nfs/dbraw/zinc/28/98/49/218289849.db2.gz QIHLAHZKWXHTBY-LJQANCHMSA-N 1 0 345.531 4.186 50 0 EIAARO CC[NH+]1CCC(CC(=O)N2CCCC[C@H]2c2cccc(F)c2)CC1 ZINC000095375169 218307754 /nfs/dbraw/zinc/30/77/54/218307754.db2.gz VTCCGJDRFWBMKS-IBGZPJMESA-N 1 0 332.463 4.001 50 0 EIAARO CC[NH+]1CCC(CC(=O)N2CCCC[C@@H]2c2cccc(F)c2)CC1 ZINC000095375168 218307869 /nfs/dbraw/zinc/30/78/69/218307869.db2.gz VTCCGJDRFWBMKS-LJQANCHMSA-N 1 0 332.463 4.001 50 0 EIAARO CCCC[C@@H]1C=CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095391103 218322491 /nfs/dbraw/zinc/32/24/91/218322491.db2.gz MNDJGNGUUCJSLI-HXUWFJFHSA-N 1 0 326.484 4.243 50 0 EIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccccc1F ZINC000008863066 211012074 /nfs/dbraw/zinc/01/20/74/211012074.db2.gz KZSWXIURBRGMOU-GOSISDBHSA-N 1 0 346.471 4.234 50 0 EIAARO C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(N2CCOC2=O)cc1 ZINC000095419126 218360006 /nfs/dbraw/zinc/36/00/06/218360006.db2.gz WGLAKFHQSNRDKD-HNNXBMFYSA-N 1 0 349.434 4.018 50 0 EIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cccc3cccnc32)c1 ZINC000095419928 218360663 /nfs/dbraw/zinc/36/06/63/218360663.db2.gz HDUZUDZJTWYNQM-OAHLLOKOSA-N 1 0 333.435 4.087 50 0 EIAARO Cc1ccccc1[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2F)CC1 ZINC000095420275 218361025 /nfs/dbraw/zinc/36/10/25/218361025.db2.gz ICODDEFJFQOLJS-INIZCTEOSA-N 1 0 340.442 4.090 50 0 EIAARO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 ZINC000095421259 218362735 /nfs/dbraw/zinc/36/27/35/218362735.db2.gz TUGFWRNVJDCNSB-KBPBESRZSA-N 1 0 328.412 4.265 50 0 EIAARO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)c1ccccn1 ZINC000095422715 218365049 /nfs/dbraw/zinc/36/50/49/218365049.db2.gz HAKFTDFJQANIPA-KXBFYZLASA-N 1 0 339.439 4.086 50 0 EIAARO C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(F)c(F)c1 ZINC000095423493 218365790 /nfs/dbraw/zinc/36/57/90/218365790.db2.gz YTTXEOOTKXWBBQ-HEWAKGLMSA-N 1 0 337.435 4.157 50 0 EIAARO c1ncc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)s1 ZINC000095425746 218367491 /nfs/dbraw/zinc/36/74/91/218367491.db2.gz UCISXNRXSRZTNO-UHFFFAOYSA-N 1 0 346.459 4.286 50 0 EIAARO COCCC[NH+]1CCC(Nc2ccc3c(Cl)ccc(C)c3n2)CC1 ZINC000095460616 218401877 /nfs/dbraw/zinc/40/18/77/218401877.db2.gz HTPVRCYHAGKBTM-UHFFFAOYSA-N 1 0 347.890 4.109 50 0 EIAARO C[C@@H](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1 ZINC000095455578 218398842 /nfs/dbraw/zinc/39/88/42/218398842.db2.gz IPFJMNJQTRCOGR-SFHVURJKSA-N 1 0 336.479 4.457 50 0 EIAARO C[C@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)Nc3ccccc32)c2ccsc2S1 ZINC000095968958 218473450 /nfs/dbraw/zinc/47/34/50/218473450.db2.gz FPMPWQIDAVKXIY-MKBNYLNASA-N 1 0 344.505 4.389 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Cl)cc1 ZINC000007447486 210801895 /nfs/dbraw/zinc/80/18/95/210801895.db2.gz LCZUSZJZGWCGDF-UHFFFAOYSA-N 1 0 342.870 4.256 50 0 EIAARO Cc1c(Cl)ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1Cl ZINC000096137397 218621000 /nfs/dbraw/zinc/62/10/00/218621000.db2.gz JECWQNZZQKTGMW-GFCCVEGCSA-N 1 0 344.286 4.250 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000005073590 210385559 /nfs/dbraw/zinc/38/55/59/210385559.db2.gz WPYJHCPYGNYTGC-WHBLYCTDSA-N 1 0 325.537 4.232 50 0 EIAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000005051364 210375707 /nfs/dbraw/zinc/37/57/07/210375707.db2.gz GEUQJHGDWUFPCL-UWJYYQICSA-N 1 0 334.463 4.047 50 0 EIAARO O=C(NCCC[NH+]1CCCCCC1)c1csc2c1CCCCC2 ZINC000005070437 210383352 /nfs/dbraw/zinc/38/33/52/210383352.db2.gz DEHYRNHHCBNJRK-UHFFFAOYSA-N 1 0 334.529 4.013 50 0 EIAARO CC[N@H+](Cc1ccccc1)Cc1cc(Br)ccc1OC ZINC000004988881 210351262 /nfs/dbraw/zinc/35/12/62/210351262.db2.gz GPWFHCWKMIRXIB-UHFFFAOYSA-N 1 0 334.257 4.480 50 0 EIAARO COc1cc(C[NH2+]C(C)(C)C)cc(Cl)c1OCc1cccnc1 ZINC000004999712 210355403 /nfs/dbraw/zinc/35/54/03/210355403.db2.gz LOVNQOCOTWVXCU-UHFFFAOYSA-N 1 0 334.847 4.211 50 0 EIAARO Cc1n[nH]c(C2CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)n1 ZINC000097425592 219023728 /nfs/dbraw/zinc/02/37/28/219023728.db2.gz DNNFUCXBAAAYLQ-UHFFFAOYSA-N 1 0 344.462 4.064 50 0 EIAARO CC[NH+](CC)Cc1cccc(CNc2ncnc3ccc(F)cc32)c1 ZINC000097497652 219030449 /nfs/dbraw/zinc/03/04/49/219030449.db2.gz SUOPZLBIKOECQZ-UHFFFAOYSA-N 1 0 338.430 4.223 50 0 EIAARO CCCCOCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299782314 258090626 /nfs/dbraw/zinc/09/06/26/258090626.db2.gz FSXDZGAHHPRUQE-KSZLIROESA-N 1 0 341.455 4.079 50 0 EIAARO O=C(Nc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299791095 258096797 /nfs/dbraw/zinc/09/67/97/258096797.db2.gz CKUQFXNFCHSGKM-NRFANRHFSA-N 1 0 349.478 4.446 50 0 EIAARO COc1ccc(C[NH2+][C@H](c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000031813214 258058382 /nfs/dbraw/zinc/05/83/82/258058382.db2.gz CQATYJFSTOXRAE-JOCHJYFZSA-N 1 0 347.414 4.303 50 0 EIAARO CC[N@H+](Cc1ccc([C@H]2CCCCO2)s1)Cc1c(C)nn(C)c1C ZINC000215958269 258072046 /nfs/dbraw/zinc/07/20/46/258072046.db2.gz VKCHLEFHUKMDDL-GOSISDBHSA-N 1 0 347.528 4.362 50 0 EIAARO CCCn1nc(C[NH2+][C@H](C)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000248020283 258072976 /nfs/dbraw/zinc/07/29/76/258072976.db2.gz UMYNKSRAYPCTGX-GOSISDBHSA-N 1 0 348.494 4.466 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036101813 522098589 /nfs/dbraw/zinc/09/85/89/522098589.db2.gz HMFGKMQAYOSYSC-KNQAVFIVSA-N 1 0 341.495 4.173 50 0 EIAARO Fc1ccc(F)c(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c1 ZINC000239402699 526349662 /nfs/dbraw/zinc/34/96/62/526349662.db2.gz RBMDUBBCLOBBET-PMACEKPBSA-N 1 0 334.454 4.194 50 0 EIAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2Cc2ccncc2Cl)cc1 ZINC000215648518 536021042 /nfs/dbraw/zinc/02/10/42/536021042.db2.gz MLTCTFXQUXSSEC-IBGZPJMESA-N 1 0 329.875 4.134 50 0 EIAARO CC(C)c1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000042770492 563924837 /nfs/dbraw/zinc/92/48/37/563924837.db2.gz XWLIFAHOFGGYHV-UHFFFAOYSA-N 1 0 326.278 4.341 50 0 EIAARO Cc1csc2c1ncnc2NC1CC[NH+](Cc2ccccc2)CC1 ZINC000000116396 563231893 /nfs/dbraw/zinc/23/18/93/563231893.db2.gz IIXBHKOPEYTHQC-UHFFFAOYSA-N 1 0 338.480 4.076 50 0 EIAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](Cc1cc(C)c(O)c(C)c1)CC2 ZINC000000166622 563249706 /nfs/dbraw/zinc/24/97/06/563249706.db2.gz GHYUFGSFFKSVCT-HNNXBMFYSA-N 1 0 341.451 4.146 50 0 EIAARO CCOc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000000239292 563264926 /nfs/dbraw/zinc/26/49/26/563264926.db2.gz MNPKPPLLEWKFAS-UHFFFAOYSA-N 1 0 330.859 4.061 50 0 EIAARO CC(OCC[NH+]1CCCC1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000347707 563288405 /nfs/dbraw/zinc/28/84/05/563288405.db2.gz GHZNNDWKJRHDCK-UHFFFAOYSA-N 1 0 331.406 4.341 50 0 EIAARO CC[NH+](CC)CCn1c2ccccc2n2cc(-c3ccc(O)cc3)nc21 ZINC000000448290 563318445 /nfs/dbraw/zinc/31/84/45/563318445.db2.gz TZPQSGYXPJUXAC-UHFFFAOYSA-N 1 0 348.450 4.003 50 0 EIAARO CC[NH+](CC)CCn1c2ccccc2nc1NCc1cccs1 ZINC000000532368 563343107 /nfs/dbraw/zinc/34/31/07/563343107.db2.gz HVVBHUJVAMEVSU-UHFFFAOYSA-N 1 0 328.485 4.052 50 0 EIAARO CC(C)[NH2+]C[C@H](O)Cn1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000003073615 563471118 /nfs/dbraw/zinc/47/11/18/563471118.db2.gz PXGOIOUHKMXSQH-FQEVSTJZSA-N 1 0 334.463 4.181 50 0 EIAARO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006700072 563579371 /nfs/dbraw/zinc/57/93/71/563579371.db2.gz BVDWCELUQFEINW-UHFFFAOYSA-N 1 0 336.479 4.197 50 0 EIAARO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(OC)cc2)cc1OC ZINC000008253390 563624706 /nfs/dbraw/zinc/62/47/06/563624706.db2.gz NYHIKNOMQNNQQK-UHFFFAOYSA-N 1 0 349.858 4.088 50 0 EIAARO Cc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)s1 ZINC000012712330 563668702 /nfs/dbraw/zinc/66/87/02/563668702.db2.gz VJCRZIHTZXJEHK-LJQANCHMSA-N 1 0 333.472 4.013 50 0 EIAARO CN(CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc2ccccc2c1 ZINC000012910443 563676803 /nfs/dbraw/zinc/67/68/03/563676803.db2.gz OJKYIUBXEWLHOU-UHFFFAOYSA-N 1 0 340.373 4.189 50 0 EIAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccccc2)cc1 ZINC000012984876 563682075 /nfs/dbraw/zinc/68/20/75/563682075.db2.gz OAEGFEMXXSRMRH-HXUWFJFHSA-N 1 0 338.451 4.251 50 0 EIAARO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 ZINC000012993083 563682773 /nfs/dbraw/zinc/68/27/73/563682773.db2.gz RANGERMMHJGWOL-WBVHZDCISA-N 1 0 326.440 4.072 50 0 EIAARO CCCC[C@@H]1C[N@H+](Cc2c(C)nn(CC)c2C)Cc2ccccc2O1 ZINC000014879836 563766583 /nfs/dbraw/zinc/76/65/83/563766583.db2.gz ZBONGPBQLXPHKD-LJQANCHMSA-N 1 0 341.499 4.473 50 0 EIAARO CCOc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)cc1 ZINC000014953021 563768140 /nfs/dbraw/zinc/76/81/40/563768140.db2.gz QOXAGLXDLLSOLC-MRXNPFEDSA-N 1 0 335.451 4.430 50 0 EIAARO CCn1cc(C[N@H+]2Cc3ccccc3O[C@@H](c3ccccc3)C2)c(C)n1 ZINC000014993315 563771076 /nfs/dbraw/zinc/77/10/76/563771076.db2.gz FCZFQXHWQOBTHG-JOCHJYFZSA-N 1 0 347.462 4.347 50 0 EIAARO Oc1ccc(C2CC[NH+](Cc3cc4c(c(Cl)c3)OCO4)CC2)cc1 ZINC000032891652 563782466 /nfs/dbraw/zinc/78/24/66/563782466.db2.gz HBPJRIODOYNDDY-UHFFFAOYSA-N 1 0 345.826 4.154 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1ccsc1)c1ccccc1Cl ZINC000032903427 563789072 /nfs/dbraw/zinc/78/90/72/563789072.db2.gz SXNYDIHRNUMTDP-MRXNPFEDSA-N 1 0 336.888 4.214 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860270 563797107 /nfs/dbraw/zinc/79/71/07/563797107.db2.gz IOXDFMDPZWMSQE-LJQANCHMSA-N 1 0 340.467 4.099 50 0 EIAARO Cc1ccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1C ZINC000016993867 563828091 /nfs/dbraw/zinc/82/80/91/563828091.db2.gz LDPSLXGXLBWEJK-UHFFFAOYSA-N 1 0 349.429 4.028 50 0 EIAARO CCc1cccc(CC)c1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043340909 563864381 /nfs/dbraw/zinc/86/43/81/563864381.db2.gz NEFZGUKKMXWADK-INIZCTEOSA-N 1 0 345.512 4.297 50 0 EIAARO C[NH+](C)Cc1ccc(CNC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000024067023 563868965 /nfs/dbraw/zinc/86/89/65/563868965.db2.gz BBQUOQPSDWQIEW-UHFFFAOYSA-N 1 0 343.279 4.047 50 0 EIAARO Cc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)s1 ZINC000027223033 563895019 /nfs/dbraw/zinc/89/50/19/563895019.db2.gz XGWVQVAFVCAZSA-IBGZPJMESA-N 1 0 337.492 4.469 50 0 EIAARO Cc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027581844 563897171 /nfs/dbraw/zinc/89/71/71/563897171.db2.gz CNEIYAIJHDHFMF-OAQYLSRUSA-N 1 0 336.479 4.260 50 0 EIAARO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCCC2)c1 ZINC000027662753 563898402 /nfs/dbraw/zinc/89/84/02/563898402.db2.gz QWZDJENVETUJRV-SFHVURJKSA-N 1 0 342.508 4.404 50 0 EIAARO Cc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027741347 563899332 /nfs/dbraw/zinc/89/93/32/563899332.db2.gz OIVZYFFCWUTGQA-SFHVURJKSA-N 1 0 342.508 4.404 50 0 EIAARO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000028291343 563902179 /nfs/dbraw/zinc/90/21/79/563902179.db2.gz DMTWTLDRJMRJPY-SFHVURJKSA-N 1 0 336.435 4.082 50 0 EIAARO Cc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)[NH+](C)C)c1 ZINC000028289404 563902196 /nfs/dbraw/zinc/90/21/96/563902196.db2.gz CKGVAGLSZXKXKZ-HXUWFJFHSA-N 1 0 338.495 4.325 50 0 EIAARO CCc1ccc([C@@H](CNC(=O)c2cccc(C)c2)[NH+]2CCCC2)cc1 ZINC000028292830 563902295 /nfs/dbraw/zinc/90/22/95/563902295.db2.gz UMFIIZVRAOPKMB-OAQYLSRUSA-N 1 0 336.479 4.124 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccc(C)cc12 ZINC000028297093 563902514 /nfs/dbraw/zinc/90/25/14/563902514.db2.gz XYNAGHMHYXSCDA-QKYXUNIQSA-N 1 0 328.500 4.096 50 0 EIAARO COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc3cccc(OC)c3o2)c1 ZINC000028925820 563904656 /nfs/dbraw/zinc/90/46/56/563904656.db2.gz WNZNNQXYLMBCFI-ZDUSSCGKSA-N 1 0 341.407 4.309 50 0 EIAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000029482879 563906518 /nfs/dbraw/zinc/90/65/18/563906518.db2.gz RIOXYVADUZZYNZ-SFHVURJKSA-N 1 0 328.843 4.206 50 0 EIAARO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044933447 563928346 /nfs/dbraw/zinc/92/83/46/563928346.db2.gz HLRUYZKEMHHGNX-SFHVURJKSA-N 1 0 336.479 4.084 50 0 EIAARO Cc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000048290687 563930203 /nfs/dbraw/zinc/93/02/03/563930203.db2.gz JNRINPCGFXJNSF-SFHVURJKSA-N 1 0 336.479 4.084 50 0 EIAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[NH+]3CCC(C)CC3)cc2)n1 ZINC000048482859 563930436 /nfs/dbraw/zinc/93/04/36/563930436.db2.gz QSGMXDMRUCUIES-UHFFFAOYSA-N 1 0 339.483 4.011 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000071911681 563932257 /nfs/dbraw/zinc/93/22/57/563932257.db2.gz DAPGXQOUCOUGBX-ZWKOTPCHSA-N 1 0 329.488 4.113 50 0 EIAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCOc2ccccn2)o1 ZINC000057354917 563935551 /nfs/dbraw/zinc/93/55/51/563935551.db2.gz DJKLFDHKYRFCES-UHFFFAOYSA-N 1 0 342.826 4.472 50 0 EIAARO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)c(C)o1 ZINC000058191647 563939377 /nfs/dbraw/zinc/93/93/77/563939377.db2.gz GIQGGTRXXZYGTC-UHFFFAOYSA-N 1 0 340.467 4.058 50 0 EIAARO CSc1cccc(NC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000058330754 563942761 /nfs/dbraw/zinc/94/27/61/563942761.db2.gz PWFPMZFUHZYLAM-KSSFIOAISA-N 1 0 335.517 4.041 50 0 EIAARO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000058345000 563943198 /nfs/dbraw/zinc/94/31/98/563943198.db2.gz UJBUNJBNRVMAAW-AOIWGVFYSA-N 1 0 337.529 4.324 50 0 EIAARO Cc1ccc2c(C[N@@H+]3CCC[C@H]3c3ccc(O)cc3)cc(=O)oc2c1 ZINC000058424497 563945881 /nfs/dbraw/zinc/94/58/81/563945881.db2.gz CXFYSSWGYPELFQ-IBGZPJMESA-N 1 0 335.403 4.144 50 0 EIAARO CC[C@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1F ZINC000096415077 563951093 /nfs/dbraw/zinc/95/10/93/563951093.db2.gz QTGBMCXMJQYULT-ZBEGNZNMSA-N 1 0 346.377 4.098 50 0 EIAARO C[NH+]1CCC(Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000065364397 563958241 /nfs/dbraw/zinc/95/82/41/563958241.db2.gz ZTOIPRUGPOFERQ-UHFFFAOYSA-N 1 0 344.842 4.065 50 0 EIAARO CCc1ccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)nc1 ZINC000065387360 563959378 /nfs/dbraw/zinc/95/93/78/563959378.db2.gz KVBLYPBQAPGCSX-HXUWFJFHSA-N 1 0 344.462 4.091 50 0 EIAARO Cc1cc2oc(=O)cc(CN(C)[C@H](C)c3nccs3)c2cc1C ZINC000065406240 563960059 /nfs/dbraw/zinc/96/00/59/563960059.db2.gz CGIIPZBDXSYVEZ-CYBMUJFWSA-N 1 0 328.437 4.059 50 0 EIAARO O=C(CC[NH2+]Cc1ccc2sccc2c1)Nc1ccccc1F ZINC000065526576 563961889 /nfs/dbraw/zinc/96/18/89/563961889.db2.gz MNMMHTGLUMMYCP-UHFFFAOYSA-N 1 0 328.412 4.159 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)ccc1O ZINC000071708110 563964781 /nfs/dbraw/zinc/96/47/81/563964781.db2.gz QCTMUAQSPBXDES-QGZVFWFLSA-N 1 0 343.442 4.385 50 0 EIAARO CC(C)[C@@H]1CN(Cc2ccc3[nH]ccc3c2)CCC[N@@H+]1CC1CC1 ZINC000071764836 563965504 /nfs/dbraw/zinc/96/55/04/563965504.db2.gz OMFZPDGVZFBBLT-NRFANRHFSA-N 1 0 325.500 4.110 50 0 EIAARO Cc1cc(-c2nnc(C[NH2+][C@H](C)[C@H](C)c3ccccc3)o2)c(C)o1 ZINC000097110004 563968012 /nfs/dbraw/zinc/96/80/12/563968012.db2.gz WLSVMDUXWMXXQJ-UONOGXRCSA-N 1 0 325.412 4.228 50 0 EIAARO CCc1ccc2nc(C)cc(C(=O)N[C@H](CC)c3nc(C)c[nH]3)c2c1 ZINC000077504982 563970016 /nfs/dbraw/zinc/97/00/16/563970016.db2.gz IBXOLEANPQJQQK-QGZVFWFLSA-N 1 0 336.439 4.018 50 0 EIAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc(F)c2)cc1 ZINC000077520631 563970163 /nfs/dbraw/zinc/97/01/63/563970163.db2.gz CHIZGQHQQSMYKE-FQEVSTJZSA-N 1 0 340.442 4.255 50 0 EIAARO CCc1ccccc1NC(=S)N(CC[NH+](C)C)Cc1cccs1 ZINC000000212629 563988542 /nfs/dbraw/zinc/98/85/42/563988542.db2.gz RERSMSAEQKQWGT-UHFFFAOYSA-N 1 0 347.553 4.071 50 0 EIAARO Cc1ccc(NC(=O)N2CCC([N@@H+](C)CCC(C)C)CC2)cc1C ZINC000000261522 563989694 /nfs/dbraw/zinc/98/96/94/563989694.db2.gz NLSGPNOFISNXJD-UHFFFAOYSA-N 1 0 331.504 4.278 50 0 EIAARO CC(C)CCNC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000000299267 563990355 /nfs/dbraw/zinc/99/03/55/563990355.db2.gz CEOLXZMRBHCCLB-UHFFFAOYSA-N 1 0 338.495 4.214 50 0 EIAARO Cc1nc2scc(-c3ccccc3)c2c(NC2CC[NH+](C)CC2)n1 ZINC000060991602 563992256 /nfs/dbraw/zinc/99/22/56/563992256.db2.gz XNYSHIWNWBTGPK-UHFFFAOYSA-N 1 0 338.480 4.173 50 0 EIAARO Cc1sc(NC(=O)c2ccccc2F)c(C[NH+]2CCCC2)c1C ZINC000000387209 563993550 /nfs/dbraw/zinc/99/35/50/563993550.db2.gz AQKKJKRCJURWMJ-UHFFFAOYSA-N 1 0 332.444 4.352 50 0 EIAARO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000065473732 563998236 /nfs/dbraw/zinc/99/82/36/563998236.db2.gz UHMJSNVTZOBJDD-MRXNPFEDSA-N 1 0 334.467 4.456 50 0 EIAARO CCc1nnc(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000253417237 563999205 /nfs/dbraw/zinc/99/92/05/563999205.db2.gz CMTHNOUOBAIFOH-KBPBESRZSA-N 1 0 339.361 4.077 50 0 EIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(Cl)cc1 ZINC000017309646 564011584 /nfs/dbraw/zinc/01/15/84/564011584.db2.gz LONZSDYFCGJTBT-UHFFFAOYSA-N 1 0 325.843 4.432 50 0 EIAARO Clc1ccc(OCc2ccccc2)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000000360117 564012402 /nfs/dbraw/zinc/01/24/02/564012402.db2.gz VBMPONWIUCXWGW-GOSISDBHSA-N 1 0 331.843 4.188 50 0 EIAARO COc1ccc([C@@H](O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1F ZINC000000494963 564017905 /nfs/dbraw/zinc/01/79/05/564017905.db2.gz MYLHJWVTMYGUNH-GHTZIAJQSA-N 1 0 343.442 4.137 50 0 EIAARO CC(C)Sc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000102317018 564019960 /nfs/dbraw/zinc/01/99/60/564019960.db2.gz VJWRBCYLFVAEGP-UHFFFAOYSA-N 1 0 345.512 4.055 50 0 EIAARO CN(C)C(=O)c1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CCC2)c1 ZINC000104708130 564023974 /nfs/dbraw/zinc/02/39/74/564023974.db2.gz OMALYPAYFKQLME-UHFFFAOYSA-N 1 0 342.870 4.211 50 0 EIAARO C[C@@H](NC1(C[NH2+][C@@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000108457630 564028268 /nfs/dbraw/zinc/02/82/68/564028268.db2.gz WHGOYLYBXBVTMZ-QWFCFKBJSA-N 1 0 330.516 4.055 50 0 EIAARO CCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc(Br)s2)o1 ZINC000048230353 564030246 /nfs/dbraw/zinc/03/02/46/564030246.db2.gz LIYPWUKKVRARJW-SECBINFHSA-N 1 0 344.278 4.181 50 0 EIAARO c1cnn(Cc2ccc(C[NH2+]Cc3ccc4ccccc4c3)cc2)c1 ZINC000048362807 564031469 /nfs/dbraw/zinc/03/14/69/564031469.db2.gz IEWJNRVUMBTXNS-UHFFFAOYSA-N 1 0 327.431 4.374 50 0 EIAARO COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000007389230 564034322 /nfs/dbraw/zinc/03/43/22/564034322.db2.gz OQJOQZWNMSSFRB-FQEVSTJZSA-N 1 0 338.451 4.107 50 0 EIAARO COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)c1 ZINC000007389231 564034325 /nfs/dbraw/zinc/03/43/25/564034325.db2.gz OQJOQZWNMSSFRB-HXUWFJFHSA-N 1 0 338.451 4.107 50 0 EIAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccc(Cl)cc1 ZINC000000819142 564035222 /nfs/dbraw/zinc/03/52/22/564035222.db2.gz PBSDIJZJUUQESR-UHFFFAOYSA-N 1 0 341.798 4.081 50 0 EIAARO C[C@@H]1CCC[N@H+](CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000033312142 564036665 /nfs/dbraw/zinc/03/66/65/564036665.db2.gz LWZCNNLMZNVCBU-OAHLLOKOSA-N 1 0 349.906 4.316 50 0 EIAARO CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)cn1 ZINC000239807510 564051714 /nfs/dbraw/zinc/05/17/14/564051714.db2.gz CSOZRPDYXKLMDU-GOSISDBHSA-N 1 0 343.446 4.069 50 0 EIAARO CC(C)CC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000241287094 564051943 /nfs/dbraw/zinc/05/19/43/564051943.db2.gz LJVHNVYQMGPRIL-IVZBYUQCSA-N 1 0 348.918 4.416 50 0 EIAARO Cc1ccc(Cn2nc(C[NH2+]CC(C)C)c(-c3ccccc3)n2)cc1 ZINC000248089413 564052945 /nfs/dbraw/zinc/05/29/45/564052945.db2.gz LFSZJPLANVJELW-UHFFFAOYSA-N 1 0 334.467 4.047 50 0 EIAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000015062967 564053208 /nfs/dbraw/zinc/05/32/08/564053208.db2.gz MKGPXSDMTYPBPO-NRFANRHFSA-N 1 0 346.478 4.257 50 0 EIAARO COc1ccc(NC(=O)[C@@H]([NH2+]CC(C)C)c2ccccc2)cc1Cl ZINC000003281100 564058994 /nfs/dbraw/zinc/05/89/94/564058994.db2.gz RBXRGENTOVGZCS-SFHVURJKSA-N 1 0 346.858 4.274 50 0 EIAARO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000120885294 564060524 /nfs/dbraw/zinc/06/05/24/564060524.db2.gz PBFIIQNKTHMLBE-UKRRQHHQSA-N 1 0 339.439 4.070 50 0 EIAARO CCS(=O)(=O)c1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)s1 ZINC000534636276 564061347 /nfs/dbraw/zinc/06/13/47/564061347.db2.gz GNJORBFMFIHHKW-AWEZNQCLSA-N 1 0 349.521 4.366 50 0 EIAARO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000012676949 564062560 /nfs/dbraw/zinc/06/25/60/564062560.db2.gz DPYLJPSTHMKXIE-XIKOKIGWSA-N 1 0 330.378 4.033 50 0 EIAARO Clc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc2c1OCCO2 ZINC000084525546 564068501 /nfs/dbraw/zinc/06/85/01/564068501.db2.gz QRXYHRNAZWUYMO-INIZCTEOSA-N 1 0 329.827 4.101 50 0 EIAARO C[N@H+]1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000005224245 564070566 /nfs/dbraw/zinc/07/05/66/564070566.db2.gz MXYUKLILVYORSK-PCCBWWKXSA-N 1 0 337.463 4.236 50 0 in-vitro EIAARO C[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)Nc1ccc(F)cc1F ZINC000012809645 564072560 /nfs/dbraw/zinc/07/25/60/564072560.db2.gz WRNMDDVBKGRLBU-KZULUSFZSA-N 1 0 330.378 4.033 50 0 EIAARO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)cc1 ZINC000006083447 564073640 /nfs/dbraw/zinc/07/36/40/564073640.db2.gz QXFGNIAWGPBCAC-OAQYLSRUSA-N 1 0 335.447 4.020 50 0 EIAARO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cc1OC ZINC000015837047 564076432 /nfs/dbraw/zinc/07/64/32/564076432.db2.gz XMBMKWMVSZWXSG-LJQANCHMSA-N 1 0 341.451 4.440 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C/C=C/[C@](O)(c1ccccc1)c1ccccn1 ZINC000102198452 564083244 /nfs/dbraw/zinc/08/32/44/564083244.db2.gz YOGCIXBRKGGRLY-QDBWEDGCSA-N 1 0 336.479 4.137 50 0 EIAARO CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc2cc(OC)ccc2c1 ZINC000090455301 564084420 /nfs/dbraw/zinc/08/44/20/564084420.db2.gz RPHKIPVTOCSYTP-AZUAARDMSA-N 1 0 335.451 4.170 50 0 EIAARO CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc2cc(OC)ccc2c1 ZINC000090455300 564084422 /nfs/dbraw/zinc/08/44/22/564084422.db2.gz RPHKIPVTOCSYTP-ICSRJNTNSA-N 1 0 335.451 4.170 50 0 EIAARO CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1(C)C ZINC000241738588 564088394 /nfs/dbraw/zinc/08/83/94/564088394.db2.gz QYUAOULWNVCYBT-GSEOLPGOSA-N 1 0 340.511 4.177 50 0 EIAARO Cc1noc(C)c1C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000006552742 564091955 /nfs/dbraw/zinc/09/19/55/564091955.db2.gz GWURZUGUMBMBEU-UHFFFAOYSA-N 1 0 327.453 4.281 50 0 EIAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(-c3cccc(Cl)c3Cl)cc2)C1 ZINC000426387686 564093565 /nfs/dbraw/zinc/09/35/65/564093565.db2.gz NCKOZOBSUISYGG-GFCCVEGCSA-N 1 0 349.261 4.081 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1C ZINC000169681832 564098241 /nfs/dbraw/zinc/09/82/41/564098241.db2.gz BTGWXGZFTMGJDO-AZUAARDMSA-N 1 0 327.468 4.035 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000006877348 564100367 /nfs/dbraw/zinc/10/03/67/564100367.db2.gz SEHJJTDMMRESIR-UHFFFAOYSA-N 1 0 329.488 4.115 50 0 EIAARO c1ccc2nc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)ccc2c1 ZINC000007216118 564105817 /nfs/dbraw/zinc/10/58/17/564105817.db2.gz DKRFGJUMHHDHMM-FQEVSTJZSA-N 1 0 346.430 4.343 50 0 EIAARO Clc1nc2ccccc2cc1C[NH+]1CCC(c2cnccn2)CC1 ZINC000170607248 564109607 /nfs/dbraw/zinc/10/96/07/564109607.db2.gz NGKLXPFJCDEHGE-UHFFFAOYSA-N 1 0 338.842 4.058 50 0 EIAARO CC[C@@H](C)C[N@H+](C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000170625046 564110376 /nfs/dbraw/zinc/11/03/76/564110376.db2.gz BZFZSTHBWTXYTB-CYBMUJFWSA-N 1 0 341.480 4.130 50 0 EIAARO C[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1 ZINC000152466802 564112188 /nfs/dbraw/zinc/11/21/88/564112188.db2.gz FKRRQIJGAKBZKD-HNNXBMFYSA-N 1 0 329.875 4.050 50 0 EIAARO c1coc(-c2n[nH]c(CC[NH2+][C@@H]3CCCC[C@@H]3C3=CCCCC3)n2)c1 ZINC000089672841 564113008 /nfs/dbraw/zinc/11/30/08/564113008.db2.gz LKEVLVPXNHSYAR-IAGOWNOFSA-N 1 0 340.471 4.256 50 0 EIAARO C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027143427 564117971 /nfs/dbraw/zinc/11/79/71/564117971.db2.gz DMDBBFSSKQNPTL-QGZVFWFLSA-N 1 0 338.451 4.079 50 0 EIAARO COc1ccc([C@@H]2C[N@H+](C)C[C@@H]2C(=O)c2ccc(F)cc2)cc1Cl ZINC000013142321 564136077 /nfs/dbraw/zinc/13/60/77/564136077.db2.gz GTKAIZJKINJBJB-HOTGVXAUSA-N 1 0 347.817 4.016 50 0 EIAARO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000095422810 564140151 /nfs/dbraw/zinc/14/01/51/564140151.db2.gz YOQQOGUMPZQHFB-UONOGXRCSA-N 1 0 338.455 4.067 50 0 EIAARO COc1cc([C@H](C)[NH2+][C@H](C)Cc2c(C)noc2C)ccc1SC ZINC000095422811 564140158 /nfs/dbraw/zinc/14/01/58/564140158.db2.gz LDNHWBJJLJCOLE-NEPJUHHUSA-N 1 0 334.485 4.304 50 0 EIAARO COc1cc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)ccc1SC ZINC000095422814 564140163 /nfs/dbraw/zinc/14/01/63/564140163.db2.gz LDNHWBJJLJCOLE-NWDGAFQWSA-N 1 0 334.485 4.304 50 0 EIAARO CC(C)[C@@H]1C[C@H](Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CS1 ZINC000331380851 564140557 /nfs/dbraw/zinc/14/05/57/564140557.db2.gz IQQKRJCOWHHCOJ-BZSNNMDCSA-N 1 0 347.528 4.128 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 ZINC000095958775 564142634 /nfs/dbraw/zinc/14/26/34/564142634.db2.gz JVVWCCXGHIASHJ-UZLBHIALSA-N 1 0 332.451 4.055 50 0 EIAARO Cc1cc(F)ccc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000096012254 564144770 /nfs/dbraw/zinc/14/47/70/564144770.db2.gz LUKAMPQEXFMYSY-UHFFFAOYSA-N 1 0 340.442 4.375 50 0 EIAARO CCC[C@@](O)(c1ccc(OC)cc1)[C@H](C[NH+](C)C)c1ccccc1 ZINC000002922729 564153060 /nfs/dbraw/zinc/15/30/60/564153060.db2.gz AVOHPWHGCOAMEF-NHCUHLMSSA-N 1 0 327.468 4.028 50 0 EIAARO COC(=O)c1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)o1 ZINC000029155789 564153165 /nfs/dbraw/zinc/15/31/65/564153165.db2.gz FRAOSMWBOUFOJT-GOSISDBHSA-N 1 0 343.423 4.192 50 0 EIAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]1c1ccccc1 ZINC000057153806 564153319 /nfs/dbraw/zinc/15/33/19/564153319.db2.gz YJZKQOYMBHATCO-JOCHJYFZSA-N 1 0 348.490 4.262 50 0 EIAARO C[C@@H](NC(=O)Nc1ccc(F)cc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003207159 564155969 /nfs/dbraw/zinc/15/59/69/564155969.db2.gz YWYIJPAYNZMWDV-DYVFJYSZSA-N 1 0 347.459 4.234 50 0 EIAARO C[C@@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003211541 564156021 /nfs/dbraw/zinc/15/60/21/564156021.db2.gz GCGQKWVEEUIHKE-RHSMWYFYSA-N 1 0 329.469 4.095 50 0 EIAARO CCN1N=C2/C(=C/c3ccc(C)cc3)C[NH2+]C[C@H]2[C@@H]1c1ccc(C)cc1 ZINC000058024190 564157260 /nfs/dbraw/zinc/15/72/60/564157260.db2.gz SWQBZQSVTPIJFW-HBQLNJFMSA-N 1 0 345.490 4.339 50 0 EIAARO CCc1ccc2[nH]c(C)c(C[N@@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000008571851 564165715 /nfs/dbraw/zinc/16/57/15/564165715.db2.gz QEMXHCCDEXOTRI-UHFFFAOYSA-N 1 0 332.447 4.370 50 0 EIAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[N@H+]1CCC[C@H](C)C1 ZINC000008714159 564166677 /nfs/dbraw/zinc/16/66/77/564166677.db2.gz SOAHYGFICXUGFS-NSHDSACASA-N 1 0 349.272 4.243 50 0 EIAARO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)no1 ZINC000071876678 564176292 /nfs/dbraw/zinc/17/62/92/564176292.db2.gz BQROWEDMRDIXPZ-LJQANCHMSA-N 1 0 336.439 4.029 50 0 EIAARO CC[NH+](CC)[C@H](C)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000031622891 564176396 /nfs/dbraw/zinc/17/63/96/564176396.db2.gz UQSAURXCYOSILU-QGZVFWFLSA-N 1 0 325.452 4.092 50 0 EIAARO Cc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000176261838 1020881410 /nfs/dbraw/zinc/88/14/10/1020881410.db2.gz VTUREAPCBYIHNL-UHFFFAOYSA-N 1 0 333.451 4.053 50 0 EIAARO [NH3+]Cc1cc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)co1 ZINC000187289975 1021041112 /nfs/dbraw/zinc/04/11/12/1021041112.db2.gz RYBMUEAOZZLHJL-FQEVSTJZSA-N 1 0 346.386 4.004 50 0 EIAARO Cc1cnc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)n1Cc1ccccc1 ZINC000581815875 1021884718 /nfs/dbraw/zinc/88/47/18/1021884718.db2.gz JURKRUWWOLTFRX-HXUWFJFHSA-N 1 0 349.453 4.368 50 0 EIAARO Cc1ccc(C[N@@H+]2CC[C@H](n3c(C)cnc3-c3cccnc3)C2)s1 ZINC000575550294 1030520581 /nfs/dbraw/zinc/52/05/81/1030520581.db2.gz UJQVGIHWUQZJRG-KRWDZBQOSA-N 1 0 338.480 4.070 50 0 EIAARO CCCOc1ccc(C[NH2+][C@H]2CCCc3c(OC)cccc32)cn1 ZINC000194887542 1031559923 /nfs/dbraw/zinc/55/99/23/1031559923.db2.gz UROYQPJKWYMQRW-SFHVURJKSA-N 1 0 326.440 4.046 50 0 EIAARO CCCOc1ccc(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)cn1 ZINC000156688584 1036129226 /nfs/dbraw/zinc/12/92/26/1036129226.db2.gz HMVIVUPEAIZYKN-GOSISDBHSA-N 1 0 338.451 4.407 50 0 EIAARO CC(C)(C[NH2+]Cc1cc(C(N)=O)cs1)c1ccc2ccccc2c1 ZINC000623784690 1041202193 /nfs/dbraw/zinc/20/21/93/1041202193.db2.gz FMEBTMVQLFLYSW-UHFFFAOYSA-N 1 0 338.476 4.068 50 0 EIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1 ZINC000003061120 1043169337 /nfs/dbraw/zinc/16/93/37/1043169337.db2.gz SNZBJAZOVSRNHH-UHFFFAOYSA-N 1 0 333.545 4.197 50 0 EIAARO CCc1[nH]c2c(cc(F)cc2C[NH2+][C@H](C)Cc2cccnc2)c1C ZINC000012318986 1044695908 /nfs/dbraw/zinc/69/59/08/1044695908.db2.gz ZVMHKPBAEFHVMO-CYBMUJFWSA-N 1 0 325.431 4.294 50 0 EIAARO OCC1(CCCc2ccccc2)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012593749 1044931810 /nfs/dbraw/zinc/93/18/10/1044931810.db2.gz KMPICDVONPKISQ-NRFANRHFSA-N 1 0 327.512 4.440 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)c2cccc3[nH]ccc32)C1 ZINC000575545550 1045254905 /nfs/dbraw/zinc/25/49/05/1045254905.db2.gz IEAUQYCSHHHEDQ-MRXNPFEDSA-N 1 0 348.450 4.028 50 0 EIAARO Cc1cnc(C2CC2)n1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000575548724 1045258122 /nfs/dbraw/zinc/25/81/22/1045258122.db2.gz JAURXPAPCACSER-SFHVURJKSA-N 1 0 334.467 4.008 50 0 EIAARO CC(C)Oc1ccc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000043808890 1049082717 /nfs/dbraw/zinc/08/27/17/1049082717.db2.gz LWAWRLIYBPASPL-UHFFFAOYSA-N 1 0 338.451 4.322 50 0 EIAARO Clc1ccncc1CNC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000952863899 1049680778 /nfs/dbraw/zinc/68/07/78/1049680778.db2.gz GTMHCNQXSFUGOA-FQEVSTJZSA-N 1 0 343.902 4.442 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1c(F)cccc1Cl ZINC000047452098 1051716543 /nfs/dbraw/zinc/71/65/43/1051716543.db2.gz KTSHJAVHVOJVOF-UHFFFAOYSA-N 1 0 332.806 4.327 50 0 EIAARO CCC(F)(F)C(C)(C)C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000527681158 1053471313 /nfs/dbraw/zinc/47/13/13/1053471313.db2.gz HQZRDEYTFNYSPM-OAHLLOKOSA-N 1 0 339.474 4.268 50 0 EIAARO Cc1ccsc1C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)CC1 ZINC000581787901 1059988484 /nfs/dbraw/zinc/98/84/84/1059988484.db2.gz HYGNRGVOSYBBJB-KRWDZBQOSA-N 1 0 334.529 4.031 50 0 EIAARO Cc1cnc(-c2ccncc2)n1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000581807674 1060018764 /nfs/dbraw/zinc/01/87/64/1060018764.db2.gz PZJKEBKOCPEBSG-FQEVSTJZSA-N 1 0 332.451 4.091 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1C1CCN(C(=O)C2CCCCC2)CC1 ZINC000581808840 1060023294 /nfs/dbraw/zinc/02/32/94/1060023294.db2.gz RZOLLOBMRGGQCN-UHFFFAOYSA-N 1 0 329.488 4.203 50 0 EIAARO C[NH+]1CCC(c2c(-c3ccccc3)ncn2Cc2ccc(O)cc2)CC1 ZINC000065459352 1060306132 /nfs/dbraw/zinc/30/61/32/1060306132.db2.gz OUPHBOQLWZWNQM-UHFFFAOYSA-N 1 0 347.462 4.113 50 0 EIAARO Cc1ccc(C(=O)NC2CC[NH+](Cc3cccc4ccccc43)CC2)o1 ZINC000051097685 214077694 /nfs/dbraw/zinc/07/76/94/214077694.db2.gz BFKINUNOHHUHJZ-UHFFFAOYSA-N 1 0 348.446 4.136 50 0 EIAARO CCCOc1ccc(C(=O)OCC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000051330957 214088949 /nfs/dbraw/zinc/08/89/49/214088949.db2.gz FWXSOJYBKRVMJS-YLJYHZDGSA-N 1 0 345.483 4.287 50 0 EIAARO CCC[C@@H](O)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004708725 210254392 /nfs/dbraw/zinc/25/43/92/210254392.db2.gz CWTIKDCZHYEJHS-OAQYLSRUSA-N 1 0 346.490 4.295 50 0 EIAARO C[C@H](c1ccc(C(=O)NCc2cc(F)ccc2F)o1)[NH+]1CCCCC1 ZINC000055255143 214296908 /nfs/dbraw/zinc/29/69/08/214296908.db2.gz RSDKMKMMFSUWJH-CYBMUJFWSA-N 1 0 348.393 4.035 50 0 EIAARO Cc1ccsc1CN(CC[NH+](C)C)Cc1cccc2cnccc21 ZINC000055243913 214293945 /nfs/dbraw/zinc/29/39/45/214293945.db2.gz MEVXMBHCZAECEU-UHFFFAOYSA-N 1 0 339.508 4.169 50 0 EIAARO Clc1ccc(COc2ccccc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000004657506 210239611 /nfs/dbraw/zinc/23/96/11/210239611.db2.gz CJRWRKQEIPTZKF-GOSISDBHSA-N 1 0 331.843 4.188 50 0 EIAARO Clc1ccccc1COc1ccccc1C[NH2+]C[C@H]1CCCO1 ZINC000004657510 210239570 /nfs/dbraw/zinc/23/95/70/210239570.db2.gz QSMRCCPFFQKYGZ-QGZVFWFLSA-N 1 0 331.843 4.188 50 0 EIAARO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccncc1 ZINC000180790309 529586130 /nfs/dbraw/zinc/58/61/30/529586130.db2.gz IKXMSANZELNMLO-FBVQUNGASA-N 1 0 345.487 4.053 50 0 EIAARO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000049604858 214022367 /nfs/dbraw/zinc/02/23/67/214022367.db2.gz VJXVOOJZEIJHHP-QGZVFWFLSA-N 1 0 348.446 4.256 50 0 EIAARO COc1cc(C[NH2+]Cc2ccco2)ccc1OCc1ccc(C)cc1 ZINC000004488581 210200933 /nfs/dbraw/zinc/20/09/33/210200933.db2.gz NQXPZPIVRLKECI-UHFFFAOYSA-N 1 0 337.419 4.465 50 0 EIAARO COc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1ccc(C)cc1 ZINC000004413475 210188654 /nfs/dbraw/zinc/18/86/54/210188654.db2.gz JISKQTQNMCQXNR-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO CC1CC[NH+](CCCCOc2ccccc2Br)CC1 ZINC000003633610 210069228 /nfs/dbraw/zinc/06/92/28/210069228.db2.gz UQTQDSDHPOBJSK-UHFFFAOYSA-N 1 0 326.278 4.340 50 0 EIAARO Cc1sc2ncnc(NC[C@H](c3ccco3)[NH+]3CCCC3)c2c1C ZINC000003349301 210015567 /nfs/dbraw/zinc/01/55/67/210015567.db2.gz QWYQBXMPVKVMCU-CQSZACIVSA-N 1 0 342.468 4.150 50 0 EIAARO CC[NH+](CC)CCCNC(=O)c1sc2cc(F)ccc2c1Cl ZINC000003208387 209978361 /nfs/dbraw/zinc/97/83/61/209978361.db2.gz HMNZBYPKUZJBSE-UHFFFAOYSA-N 1 0 342.867 4.156 50 0 EIAARO c1cn(Cc2ccccn2)c(-c2ccc(C[NH+]3CCCCC3)s2)n1 ZINC000067491127 215154247 /nfs/dbraw/zinc/15/42/47/215154247.db2.gz ZBTRCAXGRVYDSR-UHFFFAOYSA-N 1 0 338.480 4.041 50 0 EIAARO Cc1cc(Oc2ccccc2CN2CC[NH+](C)CC2)nc2ccccc12 ZINC000067588462 215165800 /nfs/dbraw/zinc/16/58/00/215165800.db2.gz YKLZSZHOZCEQCG-UHFFFAOYSA-N 1 0 347.462 4.083 50 0 EIAARO CCOc1ccc(-c2c[nH]c([C@H]3CCC[N@H+](CC)C3)n2)cc1OCC ZINC000067605347 215167003 /nfs/dbraw/zinc/16/70/03/215167003.db2.gz FDEDQBRMIFVPHQ-INIZCTEOSA-N 1 0 343.471 4.073 50 0 EIAARO CC1CC[NH+](CCOCCOc2cc(Cl)ccc2Cl)CC1 ZINC000002953008 209944921 /nfs/dbraw/zinc/94/49/21/209944921.db2.gz PANUWMAXRLNGBO-UHFFFAOYSA-N 1 0 332.271 4.121 50 0 EIAARO COc1ccc(-c2cc([C@H](O)[C@@H]3CCCC[NH2+]3)c3ccccc3n2)cc1 ZINC000001608706 209766874 /nfs/dbraw/zinc/76/68/74/209766874.db2.gz PKDJQOGOVQLPPG-UNMCSNQZSA-N 1 0 348.446 4.086 50 0 in-vitro EIAARO COc1cc(OC)c(OC)cc1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000039985620 213248457 /nfs/dbraw/zinc/24/84/57/213248457.db2.gz MFQMCKPXPAMARV-FQEVSTJZSA-N 1 0 329.440 4.199 50 0 EIAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)Nc1ccccc1Cl ZINC000038674530 213220395 /nfs/dbraw/zinc/22/03/95/213220395.db2.gz JEEBSJBWDSSAAJ-UHFFFAOYSA-N 1 0 335.879 4.116 50 0 EIAARO C[C@H]1CCC[N@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C1 ZINC000038545678 213213316 /nfs/dbraw/zinc/21/33/16/213213316.db2.gz RBCKIFIDZCUQEN-CLVYIJIMSA-N 1 0 331.500 4.033 50 0 biogenic EIAARO [NH3+][C@H](Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000038127941 213202666 /nfs/dbraw/zinc/20/26/66/213202666.db2.gz RZLPPZWSLSEFHW-CQSZACIVSA-N 1 0 328.612 4.484 50 0 EIAARO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccn2)cc1 ZINC000037522954 213152901 /nfs/dbraw/zinc/15/29/01/213152901.db2.gz JZNUSCJTIBPKSR-QFIPXVFZSA-N 1 0 331.463 4.441 50 0 EIAARO Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000036847535 213122493 /nfs/dbraw/zinc/12/24/93/213122493.db2.gz WESHCXQQFSZURC-QWHCGFSZSA-N 1 0 339.936 4.198 50 0 EIAARO CC1CC[NH+]([C@H](CNC(=O)c2cccs2)c2cccs2)CC1 ZINC000036310361 213082804 /nfs/dbraw/zinc/08/28/04/213082804.db2.gz HUPNETLTZKOMDW-CQSZACIVSA-N 1 0 334.510 4.013 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccccc1C)C[C@H](O)COCc1ccccc1 ZINC000036104502 213068386 /nfs/dbraw/zinc/06/83/86/213068386.db2.gz XAGKLLZFZIPBBI-UGKGYDQZSA-N 1 0 341.495 4.173 50 0 EIAARO CC(C)CC[N@@H+](Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000036096341 213063647 /nfs/dbraw/zinc/06/36/47/213063647.db2.gz YUSNATYSGRQYJC-HXUWFJFHSA-N 1 0 329.459 4.277 50 0 EIAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036096769 213063299 /nfs/dbraw/zinc/06/32/99/213063299.db2.gz BINYMKAIEDOTRG-LJQANCHMSA-N 1 0 347.886 4.238 50 0 EIAARO O=C(c1ccc([C@H]2CC[NH2+]C2)cc1)N(Cc1ccccc1)CC1CCC1 ZINC000072125397 216016238 /nfs/dbraw/zinc/01/62/38/216016238.db2.gz GUMTZAPMQJAIKM-QFIPXVFZSA-N 1 0 348.490 4.206 50 0 EIAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccccc1-c1ccccc1 ZINC000072143486 216028324 /nfs/dbraw/zinc/02/83/24/216028324.db2.gz WLRPDDANSNLCGK-OAQYLSRUSA-N 1 0 336.479 4.234 50 0 EIAARO C[NH+](C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000072144925 216030004 /nfs/dbraw/zinc/03/00/04/216030004.db2.gz BQJAJUJUZFIODW-HNNXBMFYSA-N 1 0 343.393 4.044 50 0 EIAARO Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000072149771 216038036 /nfs/dbraw/zinc/03/80/36/216038036.db2.gz CHPLHPLBHHJHHV-OAHLLOKOSA-N 1 0 342.874 4.238 50 0 EIAARO CCc1nc(C)sc1C[N@@H+]1CCC[C@@H](C(=O)Cc2ccccc2)C1 ZINC000072155009 216045515 /nfs/dbraw/zinc/04/55/15/216045515.db2.gz CUDOUXAKMOTBEG-QGZVFWFLSA-N 1 0 342.508 4.038 50 0 EIAARO CC[N@@H+](Cc1cccc(Cl)c1)CC1CCN(c2ccccn2)CC1 ZINC000072305007 216143834 /nfs/dbraw/zinc/14/38/34/216143834.db2.gz RDNTXFGNAJFQJN-UHFFFAOYSA-N 1 0 343.902 4.474 50 0 EIAARO COc1ccc(C[NH2+]CC2(c3ccccc3)CCCC2)cc1OC ZINC000000186772 209471957 /nfs/dbraw/zinc/47/19/57/209471957.db2.gz FXAMPOKEMZNGIL-UHFFFAOYSA-N 1 0 325.452 4.305 50 0 EIAARO C[NH+](C)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000000043963 209386930 /nfs/dbraw/zinc/38/69/30/209386930.db2.gz NNVUWMNSPHOFBR-ZDUSSCGKSA-N 1 0 337.250 4.024 50 0 EIAARO CC1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCCCC1 ZINC000072446709 216235944 /nfs/dbraw/zinc/23/59/44/216235944.db2.gz IKPAJNOOBHHHIR-UHFFFAOYSA-N 1 0 328.500 4.128 50 0 EIAARO C[NH+](C)C1(CNC(=O)c2cc(F)c(F)cc2Cl)CCCCCC1 ZINC000024582664 212426906 /nfs/dbraw/zinc/42/69/06/212426906.db2.gz ZCZUJAOFZZQZCF-UHFFFAOYSA-N 1 0 344.833 4.003 50 0 EIAARO c1cn(CC[NH+]2CCCCC2)nc1-c1cccc(-c2ccccn2)c1 ZINC000023580627 212383107 /nfs/dbraw/zinc/38/31/07/212383107.db2.gz SOWXWJBARWCHFG-UHFFFAOYSA-N 1 0 332.451 4.098 50 0 EIAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c(OC)c1OC ZINC000022784032 212323311 /nfs/dbraw/zinc/32/33/11/212323311.db2.gz QREAIZIULFBXTR-LBPRGKRZSA-N 1 0 335.831 4.217 50 0 EIAARO CCn1ccc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc21 ZINC000215343744 241119925 /nfs/dbraw/zinc/11/99/25/241119925.db2.gz LVVZDOCHQPGCEW-UHFFFAOYSA-N 1 0 335.451 4.100 50 0 EIAARO Cc1noc2nc(C)nc(-c3ccc([C@@H](C)[NH+]4CCCCC4)cc3)c12 ZINC000215484368 241128694 /nfs/dbraw/zinc/12/86/94/241128694.db2.gz RJVFXNZKQSREDJ-CQSZACIVSA-N 1 0 336.439 4.449 50 0 EIAARO CC[NH+](CC)CCSc1ccc(C(=O)Nc2cccc(C)c2)cn1 ZINC000021663605 212239322 /nfs/dbraw/zinc/23/93/22/212239322.db2.gz COEOXRNVZPFOQW-UHFFFAOYSA-N 1 0 343.496 4.076 50 0 EIAARO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000021719901 212244394 /nfs/dbraw/zinc/24/43/94/212244394.db2.gz YMFYBOWTDLIMQK-KRWDZBQOSA-N 1 0 340.402 4.158 50 0 EIAARO Cc1ccc(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000021718165 212242699 /nfs/dbraw/zinc/24/26/99/212242699.db2.gz WUDUMBMRFGJOQH-HDICACEKSA-N 1 0 343.515 4.217 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](CC2CCN(C(=O)Nc3cccc(F)c3)CC2)C1 ZINC000021718321 212242590 /nfs/dbraw/zinc/24/25/90/212242590.db2.gz WSWXLWGOPYIMPK-IYBDPMFKSA-N 1 0 347.478 4.048 50 0 EIAARO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Cl)cc1 ZINC000229697980 242192616 /nfs/dbraw/zinc/19/26/16/242192616.db2.gz ZTTLUDKOIBEDKQ-RBUKOAKNSA-N 1 0 331.843 4.219 50 0 EIAARO O[C@@H](COc1cccc2ccccc21)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000229787710 242199332 /nfs/dbraw/zinc/19/93/32/242199332.db2.gz OWLWGTWFFKUJNX-NHCUHLMSSA-N 1 0 347.458 4.069 50 0 EIAARO Cc1cc2cc(C[NH2+]C[C@@]3(c4cccc(F)c4)CCOC3)ccc2[nH]1 ZINC000020997863 212196830 /nfs/dbraw/zinc/19/68/30/212196830.db2.gz NPWZAWNPIMGBGP-NRFANRHFSA-N 1 0 338.426 4.063 50 0 EIAARO Cc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c1 ZINC000020782268 212171701 /nfs/dbraw/zinc/17/17/01/212171701.db2.gz MJHCOCHPRKNCIY-IBGZPJMESA-N 1 0 347.462 4.470 50 0 EIAARO O=C(Nc1ccccc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020523299 212143987 /nfs/dbraw/zinc/14/39/87/212143987.db2.gz OIWBLWBJLPWRFO-UHFFFAOYSA-N 1 0 345.446 4.190 50 0 EIAARO OC(C[NH2+]Cc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 ZINC000020219092 212113382 /nfs/dbraw/zinc/11/33/82/212113382.db2.gz BNIUACPRBCXENG-UHFFFAOYSA-N 1 0 337.850 4.366 50 0 EIAARO Cc1ccc([C@H](C(=O)NC2CCCCC2)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020108424 212101173 /nfs/dbraw/zinc/10/11/73/212101173.db2.gz QRHFGHHFRSTMOW-YLJYHZDGSA-N 1 0 328.500 4.217 50 0 EIAARO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019913530 212083901 /nfs/dbraw/zinc/08/39/01/212083901.db2.gz UWBFWLNQDSLDMW-UHFFFAOYSA-N 1 0 334.891 4.001 50 0 EIAARO COc1ccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)cc1OC ZINC000019842831 212075603 /nfs/dbraw/zinc/07/56/03/212075603.db2.gz MOZBHKVRTRGDJV-UHFFFAOYSA-N 1 0 340.250 4.343 50 0 EIAARO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCCCCC1 ZINC000019812711 212071016 /nfs/dbraw/zinc/07/10/16/212071016.db2.gz QTRSDGZQQMQYJB-UHFFFAOYSA-N 1 0 348.490 4.261 50 0 EIAARO CC[NH+]1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000019536787 212039229 /nfs/dbraw/zinc/03/92/29/212039229.db2.gz TWFBQVYJVVPGEV-UHFFFAOYSA-N 1 0 330.859 4.270 50 0 EIAARO CC(C)(C)OC(=O)N1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000079034226 217179066 /nfs/dbraw/zinc/17/90/66/217179066.db2.gz PGZROCDJHYQOFI-UHFFFAOYSA-N 1 0 344.499 4.300 50 0 EIAARO Cc1nc(-c2ccncc2)ncc1[C@H](C)[NH2+]CCCc1ccccc1 ZINC000015064624 211792960 /nfs/dbraw/zinc/79/29/60/211792960.db2.gz WQENKDDTTSYRQO-INIZCTEOSA-N 1 0 332.451 4.130 50 0 EIAARO OCC1(CCc2ccccc2)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012507574 211395448 /nfs/dbraw/zinc/39/54/48/211395448.db2.gz CUVQZAIOURJFLM-KPKJPENVSA-N 1 0 335.491 4.407 50 0 EIAARO Cc1cc2c(nc1C)sc1c2ncnc1SCC[NH+]1CCCC1 ZINC000012391808 211368280 /nfs/dbraw/zinc/36/82/80/211368280.db2.gz GCUZDZJCVFTZCC-UHFFFAOYSA-N 1 0 344.509 4.044 50 0 EIAARO COc1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccc(C)c(C)c2)cc1 ZINC000012316594 211345032 /nfs/dbraw/zinc/34/50/32/211345032.db2.gz ZKIFCZISMZAUPK-UHFFFAOYSA-N 1 0 335.451 4.034 50 0 EIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012308746 211341030 /nfs/dbraw/zinc/34/10/30/211341030.db2.gz ZZMALWGNQHXQDP-MRXNPFEDSA-N 1 0 328.843 4.138 50 0 EIAARO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccoc3)CC2)c1 ZINC000012246057 211329509 /nfs/dbraw/zinc/32/95/09/211329509.db2.gz FKKZFDPCLZRBRA-UHFFFAOYSA-N 1 0 325.387 4.188 50 0 EIAARO COc1cccc(NC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000012298816 211337047 /nfs/dbraw/zinc/33/70/47/211337047.db2.gz NIPJMQINDGIIRF-KRWDZBQOSA-N 1 0 345.487 4.004 50 0 EIAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+]([C@H](C)CSC)CC1 ZINC000012023459 211279060 /nfs/dbraw/zinc/27/90/60/211279060.db2.gz BMTXMHDMHDVELH-QGZVFWFLSA-N 1 0 349.540 4.016 50 0 EIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000011938389 211272851 /nfs/dbraw/zinc/27/28/51/211272851.db2.gz CSOMEFJHBLTJGH-MRXNPFEDSA-N 1 0 328.843 4.138 50 0 EIAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(C3CCCC3)s2)C[C@H]1C ZINC000091486302 218013235 /nfs/dbraw/zinc/01/32/35/218013235.db2.gz PMGQKCYSNOORCX-DNVCBOLYSA-N 1 0 337.529 4.015 50 0 EIAARO CCn1ccnc1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000091536985 218018795 /nfs/dbraw/zinc/01/87/95/218018795.db2.gz WHYGMPQWLNWDAC-UHFFFAOYSA-N 1 0 337.389 4.301 50 0 EIAARO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010449944 211174492 /nfs/dbraw/zinc/17/44/92/211174492.db2.gz OGAFCYZWJALSLH-QGZVFWFLSA-N 1 0 334.463 4.264 50 0 EIAARO CC[N@H+](C[C@H](O)COCC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000010383922 211168752 /nfs/dbraw/zinc/16/87/52/211168752.db2.gz XPGXFFFUOJABEZ-OTNIWXAGSA-N 1 0 349.559 4.235 50 0 EIAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)C2CC2)cc1 ZINC000010351401 211167597 /nfs/dbraw/zinc/16/75/97/211167597.db2.gz PUULBRQUVRGLCM-BFUOFWGJSA-N 1 0 344.405 4.341 50 0 EIAARO O=C(NCCC1=CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010328744 211164232 /nfs/dbraw/zinc/16/42/32/211164232.db2.gz YMWHMTCHIVIIBK-UHFFFAOYSA-N 1 0 326.484 4.293 50 0 EIAARO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000093278228 218210460 /nfs/dbraw/zinc/21/04/60/218210460.db2.gz LCUYZAABGBJMNH-QGZVFWFLSA-N 1 0 340.492 4.002 50 0 EIAARO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095366437 218299513 /nfs/dbraw/zinc/29/95/13/218299513.db2.gz MJEGEYCIPOSDFE-GOSISDBHSA-N 1 0 327.447 4.202 50 0 EIAARO C[S@](=O)c1ccc(C[NH2+][C@@H](c2cc3ccccc3o2)C2CC2)cc1 ZINC000095409644 218346900 /nfs/dbraw/zinc/34/69/00/218346900.db2.gz VSGRGLCDHKQWKL-HYBUGGRVSA-N 1 0 339.460 4.411 50 0 EIAARO c1cn(Cc2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)cn1 ZINC000095420155 218361000 /nfs/dbraw/zinc/36/10/00/218361000.db2.gz ADZVKHKUAOJZKV-LJQANCHMSA-N 1 0 335.476 4.258 50 0 EIAARO c1ccc(N2CCC([NH2+][C@H]3CC4(CCC4)Oc4ccccc43)CC2)nc1 ZINC000095420313 218361089 /nfs/dbraw/zinc/36/10/89/218361089.db2.gz GJSNSKXDTNLZLY-IBGZPJMESA-N 1 0 349.478 4.087 50 0 EIAARO C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccsc1 ZINC000095420532 218362243 /nfs/dbraw/zinc/36/22/43/218362243.db2.gz NDYHAZCKXZDLTB-AWEZNQCLSA-N 1 0 340.448 4.122 50 0 EIAARO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 ZINC000095421260 218362741 /nfs/dbraw/zinc/36/27/41/218362741.db2.gz TUGFWRNVJDCNSB-ZIAGYGMSSA-N 1 0 328.412 4.265 50 0 EIAARO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1F ZINC000095422044 218364121 /nfs/dbraw/zinc/36/41/21/218364121.db2.gz FNBUPEJHUUWKNZ-SHACYNPGSA-N 1 0 349.471 4.201 50 0 EIAARO CCOc1cccc2cc([C@@H](C)[NH2+]CC3([C@@H](O)C(C)C)CC3)oc21 ZINC000095463507 218402685 /nfs/dbraw/zinc/40/26/85/218402685.db2.gz VXEZLIGFOPPMRK-KUHUBIRLSA-N 1 0 331.456 4.279 50 0 EIAARO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C(C)(C)Cc2ccccc2)cc1 ZINC000095462737 218402700 /nfs/dbraw/zinc/40/27/00/218402700.db2.gz FQJGSGQCOHMUDB-INIZCTEOSA-N 1 0 345.508 4.152 50 0 EIAARO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCC(C)CC1 ZINC000008312720 210931507 /nfs/dbraw/zinc/93/15/07/210931507.db2.gz HGMXXNKEKYBTSA-GOSISDBHSA-N 1 0 336.479 4.013 50 0 EIAARO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(Br)ccc1Cl ZINC000095454740 218398406 /nfs/dbraw/zinc/39/84/06/218398406.db2.gz ZZQGHIGTKZGUPA-OAHLLOKOSA-N 1 0 346.696 4.230 50 0 EIAARO CCC[NH+]1CCC(NC(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000006726799 210692079 /nfs/dbraw/zinc/69/20/79/210692079.db2.gz LGGRXARCYCMTNT-UHFFFAOYSA-N 1 0 338.451 4.083 50 0 EIAARO OCC[N@H+](Cc1ccccc1)Cc1cccc(OCc2ccccc2)c1 ZINC000004988190 210350812 /nfs/dbraw/zinc/35/08/12/210350812.db2.gz GELNUFWDCUMIHY-UHFFFAOYSA-N 1 0 347.458 4.260 50 0 EIAARO Clc1cc(Br)ccc1OCC[NH+]1CCCCCC1 ZINC000004986229 210349209 /nfs/dbraw/zinc/34/92/09/210349209.db2.gz HOJRCZCXYMCMLY-UHFFFAOYSA-N 1 0 332.669 4.357 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CCCNc2cnnc3c(Cl)cccc23)C1 ZINC000006998375 208569935 /nfs/dbraw/zinc/56/99/35/208569935.db2.gz VQPCIDHXNDGXJI-KBPBESRZSA-N 1 0 332.879 4.063 50 0 EIAARO [NH3+][C@@H](CSCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000004899416 210316427 /nfs/dbraw/zinc/31/64/27/210316427.db2.gz TWOOKPVYHBSXIU-IBGZPJMESA-N 1 0 336.460 4.039 50 0 EIAARO CCCCCCC(=O)O[C@@H](COCc1ccccc1)C[NH+](CC)CC ZINC000004837386 210293017 /nfs/dbraw/zinc/29/30/17/210293017.db2.gz BNGLKZNQEZTDQU-HXUWFJFHSA-N 1 0 349.515 4.427 50 0 EIAARO Cc1ccc([C@H](C)CC[NH+]2CCC(Cc3noc(C4CC4)n3)CC2)o1 ZINC000097570879 219035700 /nfs/dbraw/zinc/03/57/00/219035700.db2.gz WHRFFOWZKQGMFJ-CQSZACIVSA-N 1 0 343.471 4.297 50 0 EIAARO C[C@H](c1ccc(-c2ccc(-c3nccn3C)nn2)cc1)[NH+]1CCCCC1 ZINC000426379764 257971089 /nfs/dbraw/zinc/97/10/89/257971089.db2.gz PICZOVYJLIEMIR-MRXNPFEDSA-N 1 0 347.466 4.091 50 0 EIAARO CSc1ccc(CN(C(=O)Nc2cccc(C[NH3+])c2)C2CC2)cc1 ZINC000299799310 258103024 /nfs/dbraw/zinc/10/30/24/258103024.db2.gz REEZDDGJNYVTBB-UHFFFAOYSA-N 1 0 341.480 4.064 50 0 EIAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](C2CCC2)CC1 ZINC000013594452 258056199 /nfs/dbraw/zinc/05/61/99/258056199.db2.gz ZKCFXDUTZAQVPA-UHFFFAOYSA-N 1 0 329.484 4.207 50 0 EIAARO C[C@H](c1ccc2ccccc2c1)[N@H+](Cc1cc(=O)c(O)co1)C1CC1 ZINC000089905122 258066389 /nfs/dbraw/zinc/06/63/89/258066389.db2.gz VDJIHEXQXHDBFV-CQSZACIVSA-N 1 0 335.403 4.224 50 0 EIAARO c1cnn(Cc2ccc(C[N@@H+]3CCCC[C@@H]3c3ccccn3)cc2)c1 ZINC000216019055 258071983 /nfs/dbraw/zinc/07/19/83/258071983.db2.gz BGRSOKNCSLCOJQ-OAQYLSRUSA-N 1 0 332.451 4.054 50 0 EIAARO COCCC[NH2+]Cc1cc2ccc(C)cc2nc1N1CCCCCC1 ZINC000299768729 258082586 /nfs/dbraw/zinc/08/25/86/258082586.db2.gz YZOYEAANXDJGNB-UHFFFAOYSA-N 1 0 341.499 4.050 50 0 EIAARO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(C)c1C ZINC000055543450 132195601 /nfs/dbraw/zinc/19/56/01/132195601.db2.gz GQWHBTCHAPRQGX-UHFFFAOYSA-N 1 0 344.886 4.288 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036101815 523942100 /nfs/dbraw/zinc/94/21/00/523942100.db2.gz HMFGKMQAYOSYSC-UGKGYDQZSA-N 1 0 341.495 4.173 50 0 EIAARO COc1ccc(OCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000003000441 524944284 /nfs/dbraw/zinc/94/42/84/524944284.db2.gz KQRHPHLTUVANPH-UHFFFAOYSA-N 1 0 339.479 4.419 50 0 EIAARO COc1cccc([C@@H]2CCN2Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000215622245 537138898 /nfs/dbraw/zinc/13/88/98/537138898.db2.gz JFRKWTFLSFEWMU-FQEVSTJZSA-N 1 0 342.508 4.300 50 0 EIAARO CCCc1cc(Br)ccc1OCC[C@@H]1CCCC[NH2+]1 ZINC000042770287 563924840 /nfs/dbraw/zinc/92/48/40/563924840.db2.gz SHIFCZZXVWGMKP-HNNXBMFYSA-N 1 0 326.278 4.313 50 0 EIAARO OC1(c2ccc(Cl)cc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000000006788 563211478 /nfs/dbraw/zinc/21/14/78/563211478.db2.gz LLBLNMUONVVVPG-UHFFFAOYSA-N 1 0 340.854 4.305 50 0 in-vivo EIAARO COc1ccc(-c2cn3c([n+]2-c2ccccc2OC)CCCCC3)cc1 ZINC000000392155 563304193 /nfs/dbraw/zinc/30/41/93/563304193.db2.gz XVJUGJKNKSFMQU-UHFFFAOYSA-N 1 0 349.454 4.175 50 0 EIAARO CC[NH+](CC)Cc1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000000568274 563348067 /nfs/dbraw/zinc/34/80/67/563348067.db2.gz PMPREHYSZBTUHV-UHFFFAOYSA-N 1 0 346.858 4.199 50 0 EIAARO C[N@H+]1[C@H](CC(=O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000000519487 563352130 /nfs/dbraw/zinc/35/21/30/563352130.db2.gz MXYUKLILVYORSK-ACRUOGEOSA-N 1 0 337.463 4.236 50 0 in-vitro EIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000002514536 563435589 /nfs/dbraw/zinc/43/55/89/563435589.db2.gz MSDMSNZMGOZATQ-UHFFFAOYSA-N 1 0 333.353 4.321 50 0 EIAARO CCNC(=O)c1ccc(C[N@H+](CCC(C)C)Cc2ccc(C)s2)o1 ZINC000034670193 563445248 /nfs/dbraw/zinc/44/52/48/563445248.db2.gz OZJRNAXHVSKOQF-UHFFFAOYSA-N 1 0 348.512 4.448 50 0 EIAARO C[C@@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000002760567 563449558 /nfs/dbraw/zinc/44/95/58/563449558.db2.gz NHCIWPSEWAAMFH-IEBWSBKVSA-N 1 0 336.479 4.176 50 0 EIAARO C[NH2+]CCCNCc1c(OCc2ccccc2)ccc2ccccc21 ZINC000005267230 563524851 /nfs/dbraw/zinc/52/48/51/563524851.db2.gz FZKLDNOFPVAAMM-UHFFFAOYSA-N 1 0 334.463 4.118 50 0 EIAARO CC[NH+](CC)Cc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000006949583 563592246 /nfs/dbraw/zinc/59/22/46/563592246.db2.gz VLAPNCXEUKIPID-UHFFFAOYSA-N 1 0 340.467 4.163 50 0 EIAARO O=C(CCC1CC[NH+](C[C@@H]2CC=CCC2)CC1)Nc1ccccc1 ZINC000012711644 563668723 /nfs/dbraw/zinc/66/87/23/563668723.db2.gz HWGZDUYRHJJCNN-LJQANCHMSA-N 1 0 326.484 4.474 50 0 EIAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000012714758 563669087 /nfs/dbraw/zinc/66/90/87/563669087.db2.gz LTEZZWTXKFWORX-INIZCTEOSA-N 1 0 344.430 4.358 50 0 EIAARO C[C@@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000012790420 563671546 /nfs/dbraw/zinc/67/15/46/563671546.db2.gz DYCZTVSYHSHGGX-HNNXBMFYSA-N 1 0 344.524 4.182 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000032819601 563757621 /nfs/dbraw/zinc/75/76/21/563757621.db2.gz VSKWUMBRZWDRAM-OAHLLOKOSA-N 1 0 345.508 4.238 50 0 EIAARO CC(C)=CCC[C@@H](C)C[N@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000015005085 563771531 /nfs/dbraw/zinc/77/15/31/563771531.db2.gz GZNUXWUPCHSEKC-GOSISDBHSA-N 1 0 338.499 4.186 50 0 EIAARO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2OC)oc1C ZINC000015064500 563774743 /nfs/dbraw/zinc/77/47/43/563774743.db2.gz DDIHINILDRXDRK-INIZCTEOSA-N 1 0 344.455 4.050 50 0 EIAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000032908705 563800483 /nfs/dbraw/zinc/80/04/83/563800483.db2.gz WWVPITBZNGBYGQ-HXUWFJFHSA-N 1 0 348.490 4.388 50 0 EIAARO CC1CC[NH+](CCNC(=O)c2ccc(-c3ccccc3F)s2)CC1 ZINC000071941712 563848241 /nfs/dbraw/zinc/84/82/41/563848241.db2.gz CHJBDGBFGSTCBQ-UHFFFAOYSA-N 1 0 346.471 4.016 50 0 EIAARO COc1ccccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019536452 563856284 /nfs/dbraw/zinc/85/62/84/563856284.db2.gz WTZCWBWHXYBJIV-UHFFFAOYSA-N 1 0 332.447 4.171 50 0 EIAARO Cc1ccoc1C(=O)NC1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000072054618 563861077 /nfs/dbraw/zinc/86/10/77/563861077.db2.gz LRRSYJYBXVNFHP-UHFFFAOYSA-N 1 0 348.446 4.136 50 0 EIAARO c1ccc(C[NH+]2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1 ZINC000025329121 563883337 /nfs/dbraw/zinc/88/33/37/563883337.db2.gz MXJXDBQPBACLHB-UHFFFAOYSA-N 1 0 327.431 4.049 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccc(-n2cncn2)cc1 ZINC000026314659 563890752 /nfs/dbraw/zinc/89/07/52/563890752.db2.gz LVKUEJBSVINMKM-GFCCVEGCSA-N 1 0 347.249 4.425 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc(F)c(F)c1 ZINC000027140425 563894881 /nfs/dbraw/zinc/89/48/81/563894881.db2.gz JMQXUIRMPCNCOJ-UHFFFAOYSA-N 1 0 330.378 4.203 50 0 EIAARO Cc1ccccc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCC1 ZINC000027794984 563899724 /nfs/dbraw/zinc/89/97/24/563899724.db2.gz XSQJMFFMUJMBFE-KRWDZBQOSA-N 1 0 328.481 4.014 50 0 EIAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc2cccnc21 ZINC000072274475 563902584 /nfs/dbraw/zinc/90/25/84/563902584.db2.gz LPUSOPQFRMOTIQ-SFHVURJKSA-N 1 0 334.467 4.354 50 0 EIAARO C[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000029483314 563906754 /nfs/dbraw/zinc/90/67/54/563906754.db2.gz ZSYSLPDIBGIQLC-KRWDZBQOSA-N 1 0 348.368 4.263 50 0 EIAARO Cc1cc(C)c(C[NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)c(C)c1 ZINC000072286597 563907420 /nfs/dbraw/zinc/90/74/20/563907420.db2.gz KZQDXZBEMADELV-OAQYLSRUSA-N 1 0 327.468 4.222 50 0 EIAARO c1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000030545251 563909958 /nfs/dbraw/zinc/90/99/58/563909958.db2.gz IGOYFWCTVJTUJA-NRFANRHFSA-N 1 0 346.430 4.274 50 0 EIAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCN(c2ccccc2Cl)CC1 ZINC000032541405 563913879 /nfs/dbraw/zinc/91/38/79/563913879.db2.gz AZVWGGBMDDNTPV-OAHLLOKOSA-N 1 0 338.923 4.228 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072306862 563915842 /nfs/dbraw/zinc/91/58/42/563915842.db2.gz YGYLYSQMDJNFQI-KRWDZBQOSA-N 1 0 342.870 4.499 50 0 EIAARO CCOc1cc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)ccc1O ZINC000023279615 563918154 /nfs/dbraw/zinc/91/81/54/563918154.db2.gz NUVFRHOXCZOHPI-UHFFFAOYSA-N 1 0 335.447 4.352 50 0 EIAARO CCOc1ccccc1CN1CC[N@@H+]2CCC[C@@H]2[C@@H]1C1CCCCC1 ZINC000039769782 563919491 /nfs/dbraw/zinc/91/94/91/563919491.db2.gz WLKXQMWVHDLBJL-IRLDBZIGSA-N 1 0 342.527 4.314 50 0 EIAARO O=C(NCCC[NH+]1CCCCCC1)c1sccc1-c1ccccc1 ZINC000032983671 563920623 /nfs/dbraw/zinc/92/06/23/563920623.db2.gz MMRSUKWXGXUUAR-UHFFFAOYSA-N 1 0 342.508 4.411 50 0 EIAARO CSc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000043319093 563925656 /nfs/dbraw/zinc/92/56/56/563925656.db2.gz OUTILAQXOITDQU-UHFFFAOYSA-N 1 0 343.496 4.004 50 0 EIAARO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044905895 563928162 /nfs/dbraw/zinc/92/81/62/563928162.db2.gz ANCFDGNRCWBZBB-GOSISDBHSA-N 1 0 336.479 4.390 50 0 EIAARO Cc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000048290686 563930229 /nfs/dbraw/zinc/93/02/29/563930229.db2.gz JNRINPCGFXJNSF-GOSISDBHSA-N 1 0 336.479 4.084 50 0 EIAARO CC[C@H](C)CC[NH2+]C1CCN(c2ccc(-n3ccnc3C)cc2)CC1 ZINC000048371812 563930380 /nfs/dbraw/zinc/93/03/80/563930380.db2.gz KPVGIFRSSADMAI-KRWDZBQOSA-N 1 0 340.515 4.175 50 0 EIAARO C[C@H](CNC(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC(C)CC1 ZINC000058308555 563942189 /nfs/dbraw/zinc/94/21/89/563942189.db2.gz MHJZCNUPIHRGBR-GFCCVEGCSA-N 1 0 344.286 4.235 50 0 EIAARO C[N@H+](Cc1nccn1CC(F)(F)F)CC12CC3CC(CC(C3)C1)C2 ZINC000058392266 563944673 /nfs/dbraw/zinc/94/46/73/563944673.db2.gz HBGFFQCDTSVGBQ-UHFFFAOYSA-N 1 0 341.421 4.094 50 0 EIAARO CC(C)(C)OC(=O)N1CCC2(CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000059111387 563947615 /nfs/dbraw/zinc/94/76/15/563947615.db2.gz JVOCUYAQMDVMEQ-UHFFFAOYSA-N 1 0 344.499 4.442 50 0 EIAARO CCc1cc2c(ncnc2NC[C@@H](c2ccc(F)cc2)[NH+](C)C)s1 ZINC000059394319 563948817 /nfs/dbraw/zinc/94/88/17/563948817.db2.gz UDKUBFXQLGMUST-INIZCTEOSA-N 1 0 344.459 4.108 50 0 EIAARO C[C@H]([NH2+][C@@H](C)c1ccc(Oc2cccnc2)c(F)c1)c1cnn(C)c1 ZINC000096478372 563955169 /nfs/dbraw/zinc/95/51/69/563955169.db2.gz BKIJMQIGZFAWNR-KBPBESRZSA-N 1 0 340.402 4.158 50 0 EIAARO C[NH2+]CCCn1cnc(-c2ccccc2)c1/C=C/c1ccc(F)cc1 ZINC000065424853 563960694 /nfs/dbraw/zinc/96/06/94/563960694.db2.gz ZQKGAZKDRGJDFX-JLHYYAGUSA-N 1 0 335.426 4.469 50 0 EIAARO [NH3+]CCCCn1cnc(-c2ccccc2)c1-c1cc(F)c(F)cc1F ZINC000065458603 563961106 /nfs/dbraw/zinc/96/11/06/563961106.db2.gz LEZQFKUMQYMFNA-UHFFFAOYSA-N 1 0 345.368 4.373 50 0 EIAARO Fc1cccc(-c2cc([C@H]3CC[N@H+](Cc4ccncc4)C3)ccn2)c1 ZINC000065505932 563961682 /nfs/dbraw/zinc/96/16/82/563961682.db2.gz JSWDFXAJOMNXOW-IBGZPJMESA-N 1 0 333.410 4.272 50 0 EIAARO Cc1ccc2[nH]c3c(c(=O)c2c1)CN(Cc1ccccc1Cl)CC3 ZINC000033129297 563963634 /nfs/dbraw/zinc/96/36/34/563963634.db2.gz IGCUOYINSJVAPA-UHFFFAOYSA-N 1 0 338.838 4.048 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)ccc1O ZINC000071708111 563964745 /nfs/dbraw/zinc/96/47/45/563964745.db2.gz QCTMUAQSPBXDES-KRWDZBQOSA-N 1 0 343.442 4.385 50 0 EIAARO Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ncnc3sccc32)c1 ZINC000071753774 563965221 /nfs/dbraw/zinc/96/52/21/563965221.db2.gz NLIBVGLXEJIACX-HNNXBMFYSA-N 1 0 339.464 4.139 50 0 EIAARO C[C@@H](c1ccc(-c2nccn2-c2ccc3nccnc3c2)cc1)[NH+](C)C ZINC000071755204 563965294 /nfs/dbraw/zinc/96/52/94/563965294.db2.gz LIFHMFQXRQLNBS-HNNXBMFYSA-N 1 0 343.434 4.105 50 0 EIAARO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071769306 563965561 /nfs/dbraw/zinc/96/55/61/563965561.db2.gz NQZFKXMHNXEUGI-MRXNPFEDSA-N 1 0 333.353 4.410 50 0 EIAARO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000097143470 563968239 /nfs/dbraw/zinc/96/82/39/563968239.db2.gz ZBIZWGDBOBWZJX-LSDHHAIUSA-N 1 0 343.515 4.496 50 0 EIAARO C[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)c1cccs1 ZINC000097165434 563968468 /nfs/dbraw/zinc/96/84/68/563968468.db2.gz SHJOXLLHZVOLMF-OXQOHEQNSA-N 1 0 342.508 4.023 50 0 EIAARO COCCC[C@H]1CCCC[N@@H+]1Cc1ccc2cccc(OC)c2n1 ZINC000077320213 563968941 /nfs/dbraw/zinc/96/89/41/563968941.db2.gz LKTKJTYRNAFKPX-GOSISDBHSA-N 1 0 328.456 4.025 50 0 EIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC000077344252 563969109 /nfs/dbraw/zinc/96/91/09/563969109.db2.gz TYBYSBRWGBAHEB-KRWDZBQOSA-N 1 0 349.425 4.238 50 0 EIAARO Cn1ccnc1CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1Cl ZINC000077470010 563969834 /nfs/dbraw/zinc/96/98/34/563969834.db2.gz PMTCUPGOLKYAGF-MRXNPFEDSA-N 1 0 335.854 4.200 50 0 EIAARO Fc1ccc2nc(CN3CCCC[C@H]3CC[NH+]3CCCC3)ccc2c1 ZINC000077470868 563969896 /nfs/dbraw/zinc/96/98/96/563969896.db2.gz CTTWJLSHUFTWHK-FQEVSTJZSA-N 1 0 341.474 4.214 50 0 EIAARO CC(C)[C@]1(CC[NH2+]Cc2cccc3c2OCO3)CCOC(C)(C)C1 ZINC000004770734 563973971 /nfs/dbraw/zinc/97/39/71/563973971.db2.gz VUVAWWRENAFGRX-HXUWFJFHSA-N 1 0 333.472 4.126 50 0 EIAARO C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)c3ccccc23)C[C@H](C)O1 ZINC000016247540 563976225 /nfs/dbraw/zinc/97/62/25/563976225.db2.gz LBXLFNZMNYGFSZ-GASCZTMLSA-N 1 0 333.859 4.371 50 0 EIAARO c1n[nH]cc1CC[N@@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095511277 563977255 /nfs/dbraw/zinc/97/72/55/563977255.db2.gz QOZLNLQAZBJXEX-UHFFFAOYSA-N 1 0 331.463 4.034 50 0 EIAARO Cc1cscc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000176276500 563981583 /nfs/dbraw/zinc/98/15/83/563981583.db2.gz SMKPRJBFEQDLJT-UHFFFAOYSA-N 1 0 346.521 4.166 50 0 EIAARO Cc1nc([C@H](C)N[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)no1 ZINC000252484029 563997710 /nfs/dbraw/zinc/99/77/10/563997710.db2.gz FMMFXSOZIOFIBL-LKFCYVNXSA-N 1 0 325.334 4.199 50 0 EIAARO Clc1cccc(Cl)c1CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005342077 564002827 /nfs/dbraw/zinc/00/28/27/564002827.db2.gz KSQCLCFOTRQBPG-NSHDSACASA-N 1 0 330.240 4.093 50 0 EIAARO OC1CC[NH+](C[C@H]2Sc3ccccc3Oc3ccccc32)CC1 ZINC000004480506 564005132 /nfs/dbraw/zinc/00/51/32/564005132.db2.gz XJGHCBKXQYOZKI-LJQANCHMSA-N 1 0 327.449 4.082 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000017245170 564011481 /nfs/dbraw/zinc/01/14/81/564011481.db2.gz WCDKJXUJAFXWJF-DBXWQHBBSA-N 1 0 339.479 4.356 50 0 EIAARO C[C@H](Cc1ccccc1F)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000000212525 564012249 /nfs/dbraw/zinc/01/22/49/564012249.db2.gz USSRJIISWXGUKV-QGZVFWFLSA-N 1 0 326.459 4.011 50 0 EIAARO COc1cccc2[nH]cc(CC[NH2+][C@@H](CC(C)C)c3ccccn3)c21 ZINC000181332527 564013947 /nfs/dbraw/zinc/01/39/47/564013947.db2.gz WZTYRRQOMAPCGT-IBGZPJMESA-N 1 0 337.467 4.491 50 0 EIAARO CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1(C)C ZINC000106863811 564026711 /nfs/dbraw/zinc/02/67/11/564026711.db2.gz QYUAOULWNVCYBT-VBSBHUPXSA-N 1 0 340.511 4.177 50 0 EIAARO Cc1noc([C@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000044585370 564027021 /nfs/dbraw/zinc/02/70/21/564027021.db2.gz MTLXDKGOZYFZRO-KSSFIOAISA-N 1 0 346.434 4.342 50 0 EIAARO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000045679957 564028610 /nfs/dbraw/zinc/02/86/10/564028610.db2.gz RQAROPBHBJPITN-QFIPXVFZSA-N 1 0 348.490 4.432 50 0 EIAARO COc1ccc(Oc2ccc(C[NH2+]Cc3ccsc3)cn2)cc1 ZINC000047719798 564029661 /nfs/dbraw/zinc/02/96/61/564029661.db2.gz MLCIHYKTKCFTCM-UHFFFAOYSA-N 1 0 326.421 4.234 50 0 EIAARO CCC(CC)[C@H](CNC(=O)Nc1ccccc1SC)[NH+]1CCCC1 ZINC000048253491 564030488 /nfs/dbraw/zinc/03/04/88/564030488.db2.gz ANLQAMIBTIPKBA-KRWDZBQOSA-N 1 0 349.544 4.431 50 0 EIAARO COc1cccc([C@@H]([NH2+]CCCOc2ccccc2)c2ccccn2)c1 ZINC000225387142 564046296 /nfs/dbraw/zinc/04/62/96/564046296.db2.gz AOMHIHOFRRQREH-JOCHJYFZSA-N 1 0 348.446 4.238 50 0 EIAARO COc1cccc([C@H]([NH2+]CCCOc2ccccc2)c2ccccn2)c1 ZINC000225387108 564046320 /nfs/dbraw/zinc/04/63/20/564046320.db2.gz AOMHIHOFRRQREH-QFIPXVFZSA-N 1 0 348.446 4.238 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccc(Sc3ccccn3)o2)cc1 ZINC000239351921 564051583 /nfs/dbraw/zinc/05/15/83/564051583.db2.gz AANVGNGBMSXVSO-UHFFFAOYSA-N 1 0 326.421 4.124 50 0 EIAARO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(C)c(OC)c2)c1 ZINC000240225441 564051726 /nfs/dbraw/zinc/05/17/26/564051726.db2.gz DHUNQNXPWSPMMI-OAHLLOKOSA-N 1 0 340.467 4.278 50 0 EIAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000247881478 564052820 /nfs/dbraw/zinc/05/28/20/564052820.db2.gz CAVOZVMRJDUSEV-QGZVFWFLSA-N 1 0 334.467 4.190 50 0 EIAARO Cc1ccc(Cn2nc(C[NH2+]C3CCCC3)c(-c3ccccc3)n2)cc1 ZINC000248075663 564052936 /nfs/dbraw/zinc/05/29/36/564052936.db2.gz HDKXNNODINQMFH-UHFFFAOYSA-N 1 0 346.478 4.334 50 0 EIAARO CCC[C@@H]([NH2+][C@@H](CCC)[C@H](O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000005899921 564056875 /nfs/dbraw/zinc/05/68/75/564056875.db2.gz BCXARWAGLICOTL-CIAFKFPVSA-N 1 0 341.495 4.381 50 0 EIAARO CCNC(=O)Cc1ccc(-c2cccc([C@H](C)[NH+]3CCCC3)c2)cc1 ZINC000534575234 564061076 /nfs/dbraw/zinc/06/10/76/564061076.db2.gz YFJNEOPCEUOZRF-KRWDZBQOSA-N 1 0 336.479 4.189 50 0 EIAARO Cc1ccc(C(=O)[C@H](O)[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000001394792 564064664 /nfs/dbraw/zinc/06/46/64/564064664.db2.gz QIAUEJSGCORVTR-IFMALSPDSA-N 1 0 337.463 4.074 50 0 EIAARO O=C(C[NH+](CC1CCCC1)CC1CCCC1)Nc1cccc(F)c1 ZINC000084372565 564068000 /nfs/dbraw/zinc/06/80/00/564068000.db2.gz RVRHERGKUYTEOQ-UHFFFAOYSA-N 1 0 332.463 4.447 50 0 EIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@H]1C[C@H]1c1ccccc1F ZINC000084504690 564068380 /nfs/dbraw/zinc/06/83/80/564068380.db2.gz UAJXKPUARLARNJ-ROUUACIJSA-N 1 0 338.426 4.164 50 0 EIAARO CC(C)C[NH+]1CCC(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000084544255 564068661 /nfs/dbraw/zinc/06/86/61/564068661.db2.gz UIFZBEHKFSZWDF-OAQYLSRUSA-N 1 0 340.511 4.033 50 0 EIAARO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc([S@@](C)=O)cc3)oc21 ZINC000085299269 564072453 /nfs/dbraw/zinc/07/24/53/564072453.db2.gz MJVYCTUFHLBTKM-OZAJXLCCSA-N 1 0 343.448 4.030 50 0 EIAARO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccc3ccccc3c2)cc1 ZINC000006083444 564073633 /nfs/dbraw/zinc/07/36/33/564073633.db2.gz QXFGNIAWGPBCAC-NRFANRHFSA-N 1 0 335.447 4.020 50 0 EIAARO C[C@@H](NC(=O)Nc1ccccc1F)[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012824466 564075008 /nfs/dbraw/zinc/07/50/08/564075008.db2.gz FPJKCVGZWSFNOM-BEFAXECRSA-N 1 0 341.430 4.173 50 0 EIAARO C[NH+](C)[C@H](CNc1ncnc2cc(Cl)ccc21)c1cccs1 ZINC000012867779 564075908 /nfs/dbraw/zinc/07/59/08/564075908.db2.gz UAXGFSSWJBRGMH-CQSZACIVSA-N 1 0 332.860 4.060 50 0 EIAARO CC1CC[NH+](CC2CCN(C(=O)Nc3ccccc3Cl)CC2)CC1 ZINC000015866514 564077188 /nfs/dbraw/zinc/07/71/88/564077188.db2.gz SKYLOFCOHDXVDF-UHFFFAOYSA-N 1 0 349.906 4.316 50 0 EIAARO CC[N@H+](CCC(=O)Nc1cccc2ccccc21)Cc1ccccn1 ZINC000075109346 564080278 /nfs/dbraw/zinc/08/02/78/564080278.db2.gz ASEOXTHDDDPPKQ-UHFFFAOYSA-N 1 0 333.435 4.086 50 0 EIAARO CO[C@H](C)c1nc(CSCc2cn3cccc(C)c3n2)cs1 ZINC000084495949 564086278 /nfs/dbraw/zinc/08/62/78/564086278.db2.gz PRYUVJWKFTZCLX-GFCCVEGCSA-N 1 0 333.482 4.240 50 0 EIAARO CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1(C)C ZINC000241738589 564088391 /nfs/dbraw/zinc/08/83/91/564088391.db2.gz QYUAOULWNVCYBT-IJXRJRJASA-N 1 0 340.511 4.177 50 0 EIAARO COc1ccc(OC)c(C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000000237451 564090470 /nfs/dbraw/zinc/09/04/70/564090470.db2.gz SYJINUQHFMETCP-UHFFFAOYSA-N 1 0 325.452 4.159 50 0 EIAARO Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCC[C@H]([NH3+])CC2)cc1 ZINC000426387185 564093534 /nfs/dbraw/zinc/09/35/34/564093534.db2.gz ZKISVKIYIUQBRJ-SFHVURJKSA-N 1 0 342.870 4.269 50 0 EIAARO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)s1 ZINC000036101146 564096158 /nfs/dbraw/zinc/09/61/58/564096158.db2.gz KBHZCIHNGOCJMX-IBGZPJMESA-N 1 0 347.524 4.092 50 0 EIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)N[C@H](C)c3ccccc3)CC2)c1 ZINC000064818024 564096496 /nfs/dbraw/zinc/09/64/96/564096496.db2.gz UHEKYFPOYGUFBK-GOSISDBHSA-N 1 0 334.463 4.005 50 0 EIAARO CC[NH+](CC)CCNC(=O)c1cc2c(s1)-c1ccccc1SC2 ZINC000006751973 564097204 /nfs/dbraw/zinc/09/72/04/564097204.db2.gz QZWDDESMBGPGEG-UHFFFAOYSA-N 1 0 346.521 4.092 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCc1ccco1 ZINC000169677156 564098058 /nfs/dbraw/zinc/09/80/58/564098058.db2.gz JGZFLIXJRLJRJI-AZUAARDMSA-N 1 0 345.483 4.075 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000006877166 564100380 /nfs/dbraw/zinc/10/03/80/564100380.db2.gz ISSWACKMELZCHP-UHFFFAOYSA-N 1 0 349.906 4.378 50 0 EIAARO Cc1ccc(C[N@@H+](C)Cc2ccc(C(=O)Nc3ccccc3)cc2)o1 ZINC000007017720 564103184 /nfs/dbraw/zinc/10/31/84/564103184.db2.gz AQIFWNMHPPQYSY-UHFFFAOYSA-N 1 0 334.419 4.472 50 0 EIAARO CC(C)c1ccc([C@H](C)[NH2+]Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000065473735 564106221 /nfs/dbraw/zinc/10/62/21/564106221.db2.gz UHMJSNVTZOBJDD-INIZCTEOSA-N 1 0 334.467 4.456 50 0 EIAARO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[NH+]1CCCCCC1 ZINC000007378229 564107133 /nfs/dbraw/zinc/10/71/33/564107133.db2.gz DYTFTCLCNBRAEF-SFHVURJKSA-N 1 0 336.479 4.157 50 0 EIAARO Cc1cc(C)cc(-c2ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc2)c1 ZINC000170595421 564109064 /nfs/dbraw/zinc/10/90/64/564109064.db2.gz LAHHCWBAVPALSR-HXOBKFHXSA-N 1 0 329.509 4.169 50 0 EIAARO COc1ccccc1[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000170607073 564109623 /nfs/dbraw/zinc/10/96/23/564109623.db2.gz VCADUFHQRPEDDY-IBGZPJMESA-N 1 0 337.463 4.052 50 0 EIAARO Cc1sc(NC(=O)C[N@H+](C)CC2CC2)nc1-c1ccc(Cl)cc1 ZINC000071812722 564111184 /nfs/dbraw/zinc/11/11/84/564111184.db2.gz TZYOCLLDIDBZAI-UHFFFAOYSA-N 1 0 349.887 4.052 50 0 EIAARO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000013323143 564111508 /nfs/dbraw/zinc/11/15/08/564111508.db2.gz KXGBTFHDEVFSQZ-OALUTQOASA-N 1 0 338.495 4.448 50 0 EIAARO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1 ZINC000076082230 564115436 /nfs/dbraw/zinc/11/54/36/564115436.db2.gz GTKSAFUNXMBERJ-GUYCJALGSA-N 1 0 334.257 4.142 50 0 EIAARO O=C(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)c(Cl)c1 ZINC000076092393 564115649 /nfs/dbraw/zinc/11/56/49/564115649.db2.gz YWBLFJPCJUJSKZ-HNNXBMFYSA-N 1 0 346.833 4.330 50 0 EIAARO CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000089949167 564115803 /nfs/dbraw/zinc/11/58/03/564115803.db2.gz LVMIZPMQTHWYJW-KDOFPFPSSA-N 1 0 342.508 4.028 50 0 EIAARO Clc1cccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000000227206 564116690 /nfs/dbraw/zinc/11/66/90/564116690.db2.gz SCMAHPPFCLBIJG-UHFFFAOYSA-N 1 0 328.887 4.137 50 0 EIAARO C[C@H]1CCC[N@H+](CCOCCOc2ccc(Cl)c(Cl)c2)C1 ZINC000002825131 564117038 /nfs/dbraw/zinc/11/70/38/564117038.db2.gz XSKHKJBWMOZMEE-ZDUSSCGKSA-N 1 0 332.271 4.121 50 0 EIAARO c1coc(-c2ncc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCCO3)s2)c1 ZINC000193068558 564118354 /nfs/dbraw/zinc/11/83/54/564118354.db2.gz DIKRGGLHOCNTEH-AEFFLSMTSA-N 1 0 340.448 4.413 50 0 EIAARO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000170677579 564121397 /nfs/dbraw/zinc/12/13/97/564121397.db2.gz NXUZUKMPUTZNSE-DNVCBOLYSA-N 1 0 326.440 4.030 50 0 EIAARO c1sc2ccccc2c1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000065934769 564122363 /nfs/dbraw/zinc/12/23/63/564122363.db2.gz YNZKRIGZRVAZLE-UHFFFAOYSA-N 1 0 338.476 4.028 50 0 EIAARO CCOC(=O)c1c(C[N@H+](C)[C@@H]2CCC[C@H]2SC)oc2ccccc21 ZINC000252669300 564124809 /nfs/dbraw/zinc/12/48/09/564124809.db2.gz HCEUSORQMVIKQK-RHSMWYFYSA-N 1 0 347.480 4.325 50 0 EIAARO CCc1c(-c2ccccc2)[n+](=O)c(-c2ccc(Cl)cc2)c(C)n1O ZINC000136088781 564129516 /nfs/dbraw/zinc/12/95/16/564129516.db2.gz JCRHUUGZAVXSDE-UHFFFAOYSA-N 1 0 341.818 4.498 50 0 EIAARO CC1CC[NH+](Cc2ccc(NC(=O)C[C@@H](O)CC(C)(C)C)cc2)CC1 ZINC000253431822 564131848 /nfs/dbraw/zinc/13/18/48/564131848.db2.gz UDYBVQQXIHJJMC-LJQANCHMSA-N 1 0 346.515 4.044 50 0 EIAARO CC1CC[NH+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 ZINC000012656537 564135409 /nfs/dbraw/zinc/13/54/09/564135409.db2.gz FESUANMRRQPJBN-JFQNMGATSA-N 1 0 331.500 4.033 50 0 biogenic EIAARO CC[NH2+]Cc1cnc(C)c2oc(-c3cc(=O)oc4cc(C)ccc43)cc21 ZINC000095473395 564141337 /nfs/dbraw/zinc/14/13/37/564141337.db2.gz FMULJXUEQXSQGE-UHFFFAOYSA-N 1 0 348.402 4.328 50 0 EIAARO Cn1ncnc1CN[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000095964694 564142885 /nfs/dbraw/zinc/14/28/85/564142885.db2.gz FIBFIFXFOSFRLR-QGZVFWFLSA-N 1 0 347.249 4.001 50 0 EIAARO CS[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000095967918 564143082 /nfs/dbraw/zinc/14/30/82/564143082.db2.gz GCKMXBXQHMDWOJ-UXHICEINSA-N 1 0 349.540 4.146 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cc2cccs2)cc1NC(C)=O ZINC000095968547 564143173 /nfs/dbraw/zinc/14/31/73/564143173.db2.gz RUMQEPFCFYFTMR-UONOGXRCSA-N 1 0 346.496 4.245 50 0 EIAARO NC(=O)N1CCC([NH2+][C@@H](c2cccc(Cl)c2)C2CCCCC2)CC1 ZINC000095969357 564143388 /nfs/dbraw/zinc/14/33/88/564143388.db2.gz XOVOTBMJJVRREV-GOSISDBHSA-N 1 0 349.906 4.094 50 0 EIAARO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1OCc1ccccc1 ZINC000095983760 564143783 /nfs/dbraw/zinc/14/37/83/564143783.db2.gz QJBBUCADNSODJC-AOIWGVFYSA-N 1 0 325.452 4.484 50 0 EIAARO COc1cccc(CCC[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000096008654 564144633 /nfs/dbraw/zinc/14/46/33/564144633.db2.gz DDLVYXCZJWQPHS-UHFFFAOYSA-N 1 0 341.499 4.017 50 0 EIAARO CC[C@@H](C(=O)OC)C(CC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000096026384 564144933 /nfs/dbraw/zinc/14/49/33/564144933.db2.gz FGDAZJUFNBFRLP-FQEVSTJZSA-N 1 0 339.479 4.124 50 0 EIAARO CCC(=O)O[C@H](c1ccccc1)[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000096027118 564144945 /nfs/dbraw/zinc/14/49/45/564144945.db2.gz XYISHAFTUAWSFR-PZJWPPBQSA-N 1 0 325.452 4.101 50 0 EIAARO C[NH+](C)C[C@@H](Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 ZINC000096027104 564144954 /nfs/dbraw/zinc/14/49/54/564144954.db2.gz FCGKOEFITHCRPJ-HSZRJFAPSA-N 1 0 345.486 4.343 50 0 EIAARO C[C@@H](C[NH+]1CCCCC1)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000096028126 564145048 /nfs/dbraw/zinc/14/50/48/564145048.db2.gz YJNFZIRUSJRKOH-GHTZIAJQSA-N 1 0 336.479 4.280 50 0 EIAARO CS[C@H](C)c1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000096434804 564147978 /nfs/dbraw/zinc/14/79/78/564147978.db2.gz POBGPZZOZZEIKX-JJRVBVJISA-N 1 0 335.517 4.057 50 0 EIAARO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)c(C(F)(F)F)c1 ZINC000096476960 564148468 /nfs/dbraw/zinc/14/84/68/564148468.db2.gz APPLJYRMPBFTAC-GFCCVEGCSA-N 1 0 341.377 4.077 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCC[C@@](O)(c1ccccc1)c1cccnc1 ZINC000029550747 564153723 /nfs/dbraw/zinc/15/37/23/564153723.db2.gz NPQAWCNDVWTXAM-XQBPLPMBSA-N 1 0 338.495 4.361 50 0 EIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2c(C)cccc2C)CC1 ZINC000003060156 564154812 /nfs/dbraw/zinc/15/48/12/564154812.db2.gz JQADBOOPNKUZHJ-INIZCTEOSA-N 1 0 333.545 4.195 50 0 EIAARO CC[C@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(C)c(C)c2)CC1 ZINC000003060040 564154863 /nfs/dbraw/zinc/15/48/63/564154863.db2.gz OYWFRNCYBOXLPP-INIZCTEOSA-N 1 0 333.545 4.195 50 0 EIAARO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1 ZINC000057574297 564155023 /nfs/dbraw/zinc/15/50/23/564155023.db2.gz ZCRGPQLJBRKMLU-BLLLJJGKSA-N 1 0 336.888 4.147 50 0 EIAARO CCN(c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1)C(C)C ZINC000003362785 564157686 /nfs/dbraw/zinc/15/76/86/564157686.db2.gz ZVTHGKUWBGVRSK-UHFFFAOYSA-N 1 0 346.496 4.339 50 0 EIAARO CC(C)Oc1ccc([C@H](CC[NH2+]C2CCN(C)CC2)C(C)C)cc1 ZINC000031817903 564159944 /nfs/dbraw/zinc/15/99/44/564159944.db2.gz UPCRAPFPEZOGTA-OAQYLSRUSA-N 1 0 332.532 4.287 50 0 EIAARO COc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000008127131 564162841 /nfs/dbraw/zinc/16/28/41/564162841.db2.gz SQLVZRGBUYALHW-INIZCTEOSA-N 1 0 348.446 4.307 50 0 EIAARO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC000008316665 564164242 /nfs/dbraw/zinc/16/42/42/564164242.db2.gz LYPBFEGZOSHYCA-INIZCTEOSA-N 1 0 348.446 4.307 50 0 EIAARO c1ccc(SCCOCC[N@@H+]2CCCC[C@H]2c2cccnc2)cc1 ZINC000008744434 564167170 /nfs/dbraw/zinc/16/71/70/564167170.db2.gz UIMVARSOZJNXHS-FQEVSTJZSA-N 1 0 342.508 4.418 50 0 biogenic EIAARO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000008753069 564167315 /nfs/dbraw/zinc/16/73/15/564167315.db2.gz CEWPTAYMEWANIJ-QRWLVFNGSA-N 1 0 338.451 4.203 50 0 EIAARO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)cn1 ZINC000245289841 564168987 /nfs/dbraw/zinc/16/89/87/564168987.db2.gz FMSNPGKCZILYJI-FRQCXROJSA-N 1 0 346.544 4.259 50 0 EIAARO CCC[C@H](C)[N@@H+]1Cc2cccc(NC(=O)Cc3csc(C)n3)c2C1 ZINC000069736838 564171760 /nfs/dbraw/zinc/17/17/60/564171760.db2.gz PIJQKSYQGLYXIN-ZDUSSCGKSA-N 1 0 343.496 4.137 50 0 EIAARO CCc1cc(OCCOCC[NH+]2CCC(C)CC2)ccc1Cl ZINC000022171344 1021221343 /nfs/dbraw/zinc/22/13/43/1021221343.db2.gz ZQYZFFKSBGTBDR-UHFFFAOYSA-N 1 0 325.880 4.030 50 0 EIAARO C[N@H+](Cc1cc(-c2ccco2)on1)[C@H]1CCCN(c2ccccc2)C1 ZINC000177794862 1021706768 /nfs/dbraw/zinc/70/67/68/1021706768.db2.gz UNMIUXRVZJUSKW-SFHVURJKSA-N 1 0 337.423 4.035 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2c[nH]c3cccc(C)c23)o1 ZINC000103173024 1023105182 /nfs/dbraw/zinc/10/51/82/1023105182.db2.gz LUYVNRVZBNHWKY-UHFFFAOYSA-N 1 0 334.423 4.100 50 0 EIAARO CC(C)=CCN1CC[N@H+](CCC2=C(C)CCCC2(C)C)C[C@@H]1CCO ZINC000019794800 1023644526 /nfs/dbraw/zinc/64/45/26/1023644526.db2.gz KBOQGQJBPSLCKG-FQEVSTJZSA-N 1 0 348.575 4.238 50 0 EIAARO Cc1cnc(-c2cccnc2)n1[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000257181311 1036256920 /nfs/dbraw/zinc/25/69/20/1036256920.db2.gz FMKITUOSJPIVQX-HXUWFJFHSA-N 1 0 338.499 4.471 50 0 EIAARO Clc1ccc([C@@H](Cc2cccnc2)[NH2+]CC2CCOCC2)cc1 ZINC000546873172 1043115913 /nfs/dbraw/zinc/11/59/13/1043115913.db2.gz DHLWWYJOBAQLPS-LJQANCHMSA-N 1 0 330.859 4.035 50 0 EIAARO c1csc(CN2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)c1 ZINC000012471425 1043462268 /nfs/dbraw/zinc/46/22/68/1043462268.db2.gz KSTJRJDSRFNGQR-OAQYLSRUSA-N 1 0 340.536 4.279 50 0 EIAARO Cc1ccc(C2(O)CC[NH+](Cc3ccc(CC(C)C)s3)CC2)nc1 ZINC000821459933 1043956668 /nfs/dbraw/zinc/95/66/68/1043956668.db2.gz OTJPLEMORXSEPZ-UHFFFAOYSA-N 1 0 344.524 4.134 50 0 EIAARO O=C(CCCc1ccc(F)cc1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000828065524 1044928394 /nfs/dbraw/zinc/92/83/94/1044928394.db2.gz YWUPBBXGJHZAMA-UHFFFAOYSA-N 1 0 340.442 4.383 50 0 EIAARO O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2ccon2)C1 ZINC000012594094 1044932188 /nfs/dbraw/zinc/93/21/88/1044932188.db2.gz KZYDKSLLIYWNQK-FQEVSTJZSA-N 1 0 346.430 4.437 50 0 EIAARO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000034683068 1045119420 /nfs/dbraw/zinc/11/94/20/1045119420.db2.gz QEXYJAXUXPVBIA-UHFFFAOYSA-N 1 0 342.508 4.328 50 0 EIAARO CCC(C)(C)C1CCC2(C[C@@H]2C(=O)N2CCC([NH+](C)C)CC2)CC1 ZINC000512146359 1049649330 /nfs/dbraw/zinc/64/93/30/1049649330.db2.gz PHYMCHSROWDFGK-NCYVPVAZSA-N 1 0 334.548 4.172 50 0 EIAARO C[C@@H](c1ccccn1)[N@H+](C)C1CCN(c2cccc(Cl)c2)CC1 ZINC000952970659 1049684831 /nfs/dbraw/zinc/68/48/31/1049684831.db2.gz FDFVIWSPNJQZHY-HNNXBMFYSA-N 1 0 329.875 4.397 50 0 EIAARO Cc1ccsc1C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)CC1 ZINC000581787902 1059990000 /nfs/dbraw/zinc/99/00/00/1059990000.db2.gz HYGNRGVOSYBBJB-QGZVFWFLSA-N 1 0 334.529 4.031 50 0 EIAARO CCOc1ccccc1C[N@@H+]1CC[C@@H](Cc2ncc(C)n2C(C)C)C1 ZINC000581806485 1060014033 /nfs/dbraw/zinc/01/40/33/1060014033.db2.gz QPJCQFHWYHQQOE-SFHVURJKSA-N 1 0 341.499 4.236 50 0 EIAARO C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C[NH+](C)C ZINC000052666172 214138837 /nfs/dbraw/zinc/13/88/37/214138837.db2.gz OWWIHUVBDMXECU-OAHLLOKOSA-N 1 0 328.481 4.009 50 0 EIAARO Cc1nccn1-c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2)cn1 ZINC000054176213 214221468 /nfs/dbraw/zinc/22/14/68/214221468.db2.gz UJQVPRKKYIDZIJ-UHFFFAOYSA-N 1 0 347.249 4.172 50 0 EIAARO CC(=O)Oc1c(C)cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)cc1C ZINC000055037024 214266636 /nfs/dbraw/zinc/26/66/36/214266636.db2.gz UXXXSRPVQPZZPV-SFHVURJKSA-N 1 0 342.439 4.171 50 0 EIAARO O=C(c1cccc([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]1c1ccccc1 ZINC000097758050 219054606 /nfs/dbraw/zinc/05/46/06/219054606.db2.gz ZRUYRBJAQNAVCP-RTWAWAEBSA-N 1 0 334.463 4.131 50 0 EIAARO C[C@H]1CCC[C@@H]([NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)C1 ZINC000004685772 210247994 /nfs/dbraw/zinc/24/79/94/210247994.db2.gz NHCIWPSEWAAMFH-PKOBYXMFSA-N 1 0 336.479 4.176 50 0 EIAARO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1c(C)ccc2ncccc21 ZINC000097822927 219058776 /nfs/dbraw/zinc/05/87/76/219058776.db2.gz FZIHAERSFBXDIM-IBGZPJMESA-N 1 0 348.494 4.493 50 0 EIAARO CCOc1ccccc1CNc1[nH+]cc(-c2ccc(F)cc2)n1C ZINC000004678445 210243967 /nfs/dbraw/zinc/24/39/67/210243967.db2.gz IMHNATXALHZFJI-UHFFFAOYSA-N 1 0 325.387 4.237 50 0 EIAARO CCCCOc1cc(Br)c(C[NH2+]CC(C)C)cc1OC ZINC000004670851 210243532 /nfs/dbraw/zinc/24/35/32/210243532.db2.gz MPHZXGJRPMEDJB-UHFFFAOYSA-N 1 0 344.293 4.382 50 0 EIAARO Cc1ccc(C)c(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccco2)c1 ZINC000004638773 210234994 /nfs/dbraw/zinc/23/49/94/210234994.db2.gz JZAATZQNUJENHF-MRXNPFEDSA-N 1 0 345.512 4.218 50 0 EIAARO C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000049604857 214022581 /nfs/dbraw/zinc/02/25/81/214022581.db2.gz VJXVOOJZEIJHHP-KRWDZBQOSA-N 1 0 348.446 4.256 50 0 EIAARO CCCCCCOc1ccccc1NC(=O)O[C@@H]1C[NH+]2CCC1CC2 ZINC000004566637 210222076 /nfs/dbraw/zinc/22/20/76/210222076.db2.gz IFQNIPQGVPLRDO-LJQANCHMSA-N 1 0 346.471 4.288 50 0 EIAARO CCC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004507779 210209166 /nfs/dbraw/zinc/20/91/66/210209166.db2.gz JLDAJWGHDKOWMU-QFIPXVFZSA-N 1 0 342.527 4.464 50 0 EIAARO Cc1ccc([C@]2(O)C[N+](c3cccc(C)c3C)=C3CCCCN32)c(C)c1 ZINC000004086830 210116484 /nfs/dbraw/zinc/11/64/84/210116484.db2.gz JCNOYLRNYNDTHV-HSZRJFAPSA-N 1 0 349.498 4.180 50 0 EIAARO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000065965520 215002473 /nfs/dbraw/zinc/00/24/73/215002473.db2.gz BQAPKQILMDHOEJ-RXVVDRJESA-N 1 0 340.511 4.225 50 0 EIAARO CCCC[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003588693 210058255 /nfs/dbraw/zinc/05/82/55/210058255.db2.gz MFSDZXMKDAVEBA-UHFFFAOYSA-N 1 0 339.936 4.233 50 0 EIAARO CCOc1ccc(C(=O)[C@H](Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000003384316 210023464 /nfs/dbraw/zinc/02/34/64/210023464.db2.gz AEGFSIMEYMWKAI-NRFANRHFSA-N 1 0 337.463 4.365 50 0 EIAARO COc1ccc(C[NH2+]Cc2sc(-c3ccccc3)nc2C)cc1O ZINC000067011822 215103833 /nfs/dbraw/zinc/10/38/33/215103833.db2.gz HXNDBRVIBRRXQV-UHFFFAOYSA-N 1 0 340.448 4.123 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc(SC(F)F)cc1)C1CCCCC1 ZINC000003348136 210014323 /nfs/dbraw/zinc/01/43/23/210014323.db2.gz AFOJHGWQAFYEGO-UHFFFAOYSA-N 1 0 328.428 4.204 50 0 EIAARO Fc1ccccc1NC(=S)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000003333436 210011025 /nfs/dbraw/zinc/01/10/25/210011025.db2.gz QCDBIYWBZYECRN-UHFFFAOYSA-N 1 0 349.519 4.301 50 0 EIAARO Cc1cc(Cl)ccc1NC(=S)NCCC[NH2+]C1CCCCC1 ZINC000003086654 209962724 /nfs/dbraw/zinc/96/27/24/209962724.db2.gz MBHIFEVCUDZVNO-UHFFFAOYSA-N 1 0 339.936 4.247 50 0 EIAARO Cc1nc(-c2cccc(-c3ccc([C@@H](C)[NH+]4CCOCC4)cc3)c2)no1 ZINC000067654896 215175982 /nfs/dbraw/zinc/17/59/82/215175982.db2.gz LUCXVYOHCSMDNG-OAHLLOKOSA-N 1 0 349.434 4.105 50 0 EIAARO Cc1ccsc1-c1nc(CN2CC([N@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000067714288 215192392 /nfs/dbraw/zinc/19/23/92/215192392.db2.gz WHSAUZISIVEXIX-CQSZACIVSA-N 1 0 345.512 4.079 50 0 EIAARO Cc1ccsc1C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC000067788668 215214349 /nfs/dbraw/zinc/21/43/49/215214349.db2.gz OCXMFVKRFUDQDQ-HXUWFJFHSA-N 1 0 348.556 4.307 50 0 EIAARO Cc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)CC2)c2ccccc12 ZINC000067867270 215234074 /nfs/dbraw/zinc/23/40/74/215234074.db2.gz RHITVVBFKMASGU-UHFFFAOYSA-N 1 0 336.479 4.144 50 0 EIAARO Cc1nnc(-c2cccc(-c3ccc([C@@H](C)[NH+]4CCOCC4)cc3)c2)o1 ZINC000067935239 215254895 /nfs/dbraw/zinc/25/48/95/215254895.db2.gz QSHBNPCHGPYYNS-OAHLLOKOSA-N 1 0 349.434 4.105 50 0 EIAARO CCc1ccccc1NC(=O)CNc1cc(C)[nH+]c2ccc(OC)cc12 ZINC000040160659 213276819 /nfs/dbraw/zinc/27/68/19/213276819.db2.gz YJEOIXJTFCVPHG-UHFFFAOYSA-N 1 0 349.434 4.165 50 0 EIAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 ZINC000040150523 213273661 /nfs/dbraw/zinc/27/36/61/213273661.db2.gz YAGGHWIBONFVML-UHFFFAOYSA-N 1 0 349.837 4.075 50 0 EIAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1 ZINC000040150521 213273701 /nfs/dbraw/zinc/27/37/01/213273701.db2.gz AXTLHOLPRJNKIJ-UHFFFAOYSA-N 1 0 349.837 4.075 50 0 EIAARO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)cc(OC)c1OC ZINC000039979628 213247819 /nfs/dbraw/zinc/24/78/19/213247819.db2.gz IMBLOKVOKWQGAT-HZPDHXFCSA-N 1 0 335.488 4.407 50 0 EIAARO COc1ccc(C[NH2+]CCc2c(C)[nH]c3ccc(C)cc32)cc1OC ZINC000036657744 213108770 /nfs/dbraw/zinc/10/87/70/213108770.db2.gz CAIFDCRWIFXENL-UHFFFAOYSA-N 1 0 338.451 4.134 50 0 EIAARO Cc1ccc(C)c(C[N@@H+](C[C@H](O)COCc2ccccc2)C(C)C)c1 ZINC000036103847 213069478 /nfs/dbraw/zinc/06/94/78/213069478.db2.gz SGTZDTLDMSZAKL-QFIPXVFZSA-N 1 0 341.495 4.092 50 0 EIAARO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103029 213067971 /nfs/dbraw/zinc/06/79/71/213067971.db2.gz MSPIYUMCKYKYQR-JOCHJYFZSA-N 1 0 349.449 4.432 50 0 EIAARO CC(C)[N@@H+](Cc1cccs1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036103387 213067784 /nfs/dbraw/zinc/06/77/84/213067784.db2.gz QEWOEKCUKOSIRA-HNNXBMFYSA-N 1 0 339.888 4.052 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1C ZINC000036101840 213067804 /nfs/dbraw/zinc/06/78/04/213067804.db2.gz WCNOVDSGSGRTIE-FPOVZHCZSA-N 1 0 341.495 4.344 50 0 EIAARO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COc1ccccc1C ZINC000036097439 213065755 /nfs/dbraw/zinc/06/57/55/213065755.db2.gz IUJFQBZVCMGOOI-NRFANRHFSA-N 1 0 341.495 4.264 50 0 EIAARO Cc1ccc(C[N@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)o1 ZINC000036031397 213056465 /nfs/dbraw/zinc/05/64/65/213056465.db2.gz NJJYBIXMWKZRIW-IBGZPJMESA-N 1 0 345.483 4.184 50 0 EIAARO CC[C@H](c1ccccc1)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000072074099 216003837 /nfs/dbraw/zinc/00/38/37/216003837.db2.gz XBSCFOZRGUUVPW-HXUWFJFHSA-N 1 0 338.451 4.344 50 0 EIAARO COc1ccc(-n2cccn2)c(C[N@@H+]2CCCC[C@@H]2c2ccccn2)c1 ZINC000072168636 216059347 /nfs/dbraw/zinc/05/93/47/216059347.db2.gz IIPFFOSTCSZJHO-OAQYLSRUSA-N 1 0 348.450 4.003 50 0 EIAARO Clc1ccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000000181945 209468507 /nfs/dbraw/zinc/46/85/07/209468507.db2.gz SYCDITLOPQNYCP-UHFFFAOYSA-N 1 0 328.887 4.137 50 0 EIAARO O=C1CC[C@@]2(CCC[N@@H+](CCCCCF)C2)CN1Cc1ccccc1 ZINC000072412527 216205033 /nfs/dbraw/zinc/20/50/33/216205033.db2.gz DXLSJLKTZOAYKV-OAQYLSRUSA-N 1 0 346.490 4.031 50 0 EIAARO O=C(Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000072447792 216237593 /nfs/dbraw/zinc/23/75/93/216237593.db2.gz UEQXIIHLXOAPPX-FQEVSTJZSA-N 1 0 332.447 4.192 50 0 EIAARO C[NH+](C)[C@@H](CNc1ncnc2c3ccccc3oc21)c1cccs1 ZINC000023744766 212392713 /nfs/dbraw/zinc/39/27/13/212392713.db2.gz GFDFSWYJZGJEID-ZDUSSCGKSA-N 1 0 338.436 4.152 50 0 EIAARO CC[NH+](CC)[C@@H](C(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000075108847 216557302 /nfs/dbraw/zinc/55/73/02/216557302.db2.gz XEBJYUPNIQNLSF-HXUWFJFHSA-N 1 0 333.435 4.256 50 0 EIAARO CCc1ccc([C@@H](CNC(=O)[C@@H](CC)c2ccccc2)[NH+](C)C)cc1 ZINC000022684809 212315831 /nfs/dbraw/zinc/31/58/31/212315831.db2.gz YQOMTSRWUYFXTA-LEWJYISDSA-N 1 0 338.495 4.162 50 0 EIAARO COC(=O)CC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000022205936 212282335 /nfs/dbraw/zinc/28/23/35/212282335.db2.gz QPZMWXOYTJBELZ-UHFFFAOYSA-N 1 0 345.442 4.131 50 0 EIAARO Clc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)c1Cl ZINC000022130764 212278259 /nfs/dbraw/zinc/27/82/59/212278259.db2.gz LRTAEWIIYOUKFW-MRXNPFEDSA-N 1 0 335.278 4.358 50 0 EIAARO COc1cc(C[N@H+](C)CCc2ccncc2)c(Cl)cc1OC(C)C ZINC000215102884 241105201 /nfs/dbraw/zinc/10/52/01/241105201.db2.gz ZGPQXMSITHNHSS-UHFFFAOYSA-N 1 0 348.874 4.205 50 0 EIAARO CN(Cc1ccc([C@@H]2CCCCO2)o1)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000216382307 241185891 /nfs/dbraw/zinc/18/58/91/241185891.db2.gz GFWYFHQUZADSDD-FQEVSTJZSA-N 1 0 340.467 4.099 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)ccc1OC(C)C ZINC000021720286 212244310 /nfs/dbraw/zinc/24/43/10/212244310.db2.gz XPXVJVJNTWZUBM-KRWDZBQOSA-N 1 0 344.455 4.424 50 0 EIAARO CCc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000021718072 212242685 /nfs/dbraw/zinc/24/26/85/212242685.db2.gz QIRDLTDEUVGXLK-UHFFFAOYSA-N 1 0 343.515 4.225 50 0 EIAARO O=C(Cc1ccc(Cl)cc1)N1CCCC[C@H]1CC[NH+]1CCCCC1 ZINC000021170628 212214483 /nfs/dbraw/zinc/21/44/83/212214483.db2.gz YAEIKIWUTSVPSN-IBGZPJMESA-N 1 0 348.918 4.140 50 0 EIAARO OC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 ZINC000020599444 212150936 /nfs/dbraw/zinc/15/09/36/212150936.db2.gz NIXRKYWDBAUDGD-NRFANRHFSA-N 1 0 347.462 4.091 50 0 EIAARO Fc1ccc([C@H](CC[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020591209 212150427 /nfs/dbraw/zinc/15/04/27/212150427.db2.gz HXIGEHGZVUBWJV-LJQANCHMSA-N 1 0 333.834 4.333 50 0 EIAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3ccc(F)cc3F)c2c1 ZINC000020436679 212129099 /nfs/dbraw/zinc/12/90/99/212129099.db2.gz UGGUOXXZWZMKQP-UHFFFAOYSA-N 1 0 330.378 4.095 50 0 EIAARO Clc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2CN3CCC2CC3)cc1 ZINC000020358202 212122121 /nfs/dbraw/zinc/12/21/21/212122121.db2.gz MQPKSHNJHJHMPA-LEWJYISDSA-N 1 0 340.898 4.308 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@@H](O)c1ccccc1 ZINC000020312654 212118231 /nfs/dbraw/zinc/11/82/31/212118231.db2.gz RRGVCYTYQVAYDT-VBKZILBWSA-N 1 0 325.383 4.297 50 0 EIAARO C[C@@H]1C[NH+](CCCOc2ccc(Cl)c3ccccc23)C[C@@H](C)O1 ZINC000020167324 212108611 /nfs/dbraw/zinc/10/86/11/212108611.db2.gz LBXLFNZMNYGFSZ-HUUCEWRRSA-N 1 0 333.859 4.371 50 0 EIAARO CCCCN1C(=O)C2=C(CCCC2)[C@@H]1[NH2+][C@@H](C)CCc1ccccc1 ZINC000019907709 212082094 /nfs/dbraw/zinc/08/20/94/212082094.db2.gz PILDCWFKZJVIIB-LAUBAEHRSA-N 1 0 340.511 4.436 50 0 EIAARO C[N@@H+]1CCC[C@H](Cn2ccc(-c3cccc(-c4nccs4)c3)n2)C1 ZINC000019799361 212069991 /nfs/dbraw/zinc/06/99/91/212069991.db2.gz ADLFYRFPLWANLJ-HNNXBMFYSA-N 1 0 338.480 4.015 50 0 EIAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000019742632 212060311 /nfs/dbraw/zinc/06/03/11/212060311.db2.gz LTSFYNVHZVHYLM-HNNXBMFYSA-N 1 0 347.890 4.347 50 0 EIAARO OC[C@@H](Cc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000019419088 212026997 /nfs/dbraw/zinc/02/69/97/212026997.db2.gz ZXNVOFMPUPOZDF-HSZRJFAPSA-N 1 0 331.459 4.292 50 0 EIAARO Clc1cccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019360189 212021384 /nfs/dbraw/zinc/02/13/84/212021384.db2.gz BFRBUBBAYOZRQM-UHFFFAOYSA-N 1 0 339.870 4.139 50 0 EIAARO Clc1ccccc1C[NH+]1CCC(c2nnc(-c3ccco3)o2)CC1 ZINC000049372053 214002633 /nfs/dbraw/zinc/00/26/33/214002633.db2.gz RPWQLIWYDWKWSF-UHFFFAOYSA-N 1 0 343.814 4.363 50 0 EIAARO CSc1ccc(C[NH+]2CC(c3nc(-c4cccs4)no3)C2)cc1 ZINC000049484399 214012547 /nfs/dbraw/zinc/01/25/47/214012547.db2.gz LXPKOLIQEHKQQB-UHFFFAOYSA-N 1 0 343.477 4.119 50 0 EIAARO c1cnc(Oc2cccc(C[NH2+]C3C4CC5CC(C4)CC3C5)c2)nc1 ZINC000013731530 211625019 /nfs/dbraw/zinc/62/50/19/211625019.db2.gz YSXVOCPNSJQGEP-UHFFFAOYSA-N 1 0 335.451 4.183 50 0 EIAARO OC[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000012430836 211377425 /nfs/dbraw/zinc/37/74/25/211377425.db2.gz PDNDSRQTMGQSOZ-FQEVSTJZSA-N 1 0 347.861 4.296 50 0 EIAARO CC(C)(C)[NH2+]Cc1cc(Br)ccc1OCc1cccnc1 ZINC000012381485 211361848 /nfs/dbraw/zinc/36/18/48/211361848.db2.gz GOFLVHKTAKFLMK-UHFFFAOYSA-N 1 0 349.272 4.311 50 0 EIAARO CC[C@@H](C(=O)OCC1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000089947869 217893439 /nfs/dbraw/zinc/89/34/39/217893439.db2.gz YFFBIHQGTKWFIX-HXUWFJFHSA-N 1 0 341.451 4.229 50 0 EIAARO Fc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000012314977 211344897 /nfs/dbraw/zinc/34/48/97/211344897.db2.gz YZSRVJJNEAIAQX-QGZVFWFLSA-N 1 0 343.446 4.202 50 0 EIAARO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000012304727 211338673 /nfs/dbraw/zinc/33/86/73/211338673.db2.gz MWTZCJSNENNJGD-INIZCTEOSA-N 1 0 348.368 4.195 50 0 EIAARO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000012300066 211337264 /nfs/dbraw/zinc/33/72/64/211337264.db2.gz RGFSVZWCNHXBLS-MRXNPFEDSA-N 1 0 329.827 4.141 50 0 EIAARO CC[C@H](C)C[NH+]1CCC2(C[C@@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000012200487 211318663 /nfs/dbraw/zinc/31/86/63/211318663.db2.gz HZLYGAAAVCKYAP-MAUKXSAKSA-N 1 0 346.540 4.495 50 0 EIAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCCC2)c1 ZINC000012198983 211318400 /nfs/dbraw/zinc/31/84/00/211318400.db2.gz FCLVEIFOEQBOIS-UHFFFAOYSA-N 1 0 333.435 4.144 50 0 EIAARO CSCCC[N@@H+]1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012195742 211317053 /nfs/dbraw/zinc/31/70/53/211317053.db2.gz JGZYMZHGBBTVRP-CQSZACIVSA-N 1 0 345.430 4.353 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)c1)c1ccccc1Cl ZINC000011917258 211270510 /nfs/dbraw/zinc/27/05/10/211270510.db2.gz HSCSMHKHFVDULP-IBGZPJMESA-N 1 0 344.886 4.461 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cc1 ZINC000011933262 211269692 /nfs/dbraw/zinc/26/96/92/211269692.db2.gz QHNDYILRHJRKBR-KRWDZBQOSA-N 1 0 343.854 4.444 50 0 EIAARO COc1ccc2[nH]cc([C@H](C[NH3+])c3cccc(C(F)(F)F)c3)c2c1 ZINC000091690186 218047946 /nfs/dbraw/zinc/04/79/46/218047946.db2.gz DRIYETNDXNERDA-OAHLLOKOSA-N 1 0 334.341 4.286 50 0 EIAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3nccs3)CC2)C1 ZINC000091713228 218052369 /nfs/dbraw/zinc/05/23/69/218052369.db2.gz GVEPMESUUMRNRB-SFHVURJKSA-N 1 0 341.524 4.239 50 0 EIAARO COc1ccc(Cl)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010371676 211168527 /nfs/dbraw/zinc/16/85/27/211168527.db2.gz NCFRCYDJQYAYJJ-UHFFFAOYSA-N 1 0 344.842 4.197 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000010329693 211164715 /nfs/dbraw/zinc/16/47/15/211164715.db2.gz OKJHMWZAFZQHIL-FQEVSTJZSA-N 1 0 336.410 4.012 50 0 EIAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000095376635 218309100 /nfs/dbraw/zinc/30/91/00/218309100.db2.gz LESKDYXXNAAZAE-QFBILLFUSA-N 1 0 344.499 4.301 50 0 EIAARO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1Cn1cccn1 ZINC000095419419 218359134 /nfs/dbraw/zinc/35/91/34/218359134.db2.gz SCIFRFILUMUNJU-HZPDHXFCSA-N 1 0 339.439 4.253 50 0 EIAARO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3ccccc3n2)c1 ZINC000095420450 218360987 /nfs/dbraw/zinc/36/09/87/218360987.db2.gz BRIUZWUWKPJIEO-INIZCTEOSA-N 1 0 347.462 4.225 50 0 EIAARO Cc1cc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c(C)s1 ZINC000095420601 218362193 /nfs/dbraw/zinc/36/21/93/218362193.db2.gz WXPQCUQOTUIGKA-CYBMUJFWSA-N 1 0 326.469 4.105 50 0 EIAARO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c(C)o1 ZINC000095421258 218363429 /nfs/dbraw/zinc/36/34/29/218363429.db2.gz TUGFWRNVJDCNSB-UONOGXRCSA-N 1 0 328.412 4.265 50 0 EIAARO COc1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)cc1NC(C)=O ZINC000095421460 218363603 /nfs/dbraw/zinc/36/36/03/218363603.db2.gz NIZOANPRMCHXEX-CYBMUJFWSA-N 1 0 338.407 4.251 50 0 EIAARO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]Cc2cncs2)cc1 ZINC000095425757 218367475 /nfs/dbraw/zinc/36/74/75/218367475.db2.gz WYAHAPPOYNGGTB-LJQANCHMSA-N 1 0 342.439 4.364 50 0 EIAARO Cc1cc(C)n2c(C[NH2+][C@@H](c3cccnc3)C3CCCCC3)cnc2n1 ZINC000095430368 218372584 /nfs/dbraw/zinc/37/25/84/218372584.db2.gz CCNQTUSUCHFIJJ-HXUWFJFHSA-N 1 0 349.482 4.152 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)c1ccncc1 ZINC000095967104 218471544 /nfs/dbraw/zinc/47/15/44/218471544.db2.gz HASZEFNXAZPMFZ-HWPZZCPQSA-N 1 0 335.220 4.321 50 0 EIAARO CCOc1ccc2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000005019191 210363261 /nfs/dbraw/zinc/36/32/61/210363261.db2.gz BPMDRLNWWIFGBG-UHFFFAOYSA-N 1 0 335.403 4.257 50 0 EIAARO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000097143467 218973227 /nfs/dbraw/zinc/97/32/27/218973227.db2.gz ZBIZWGDBOBWZJX-CABCVRRESA-N 1 0 343.515 4.496 50 0 EIAARO CCOC(=O)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004978046 210345960 /nfs/dbraw/zinc/34/59/60/210345960.db2.gz TVFMBJYYWFCDRX-UHFFFAOYSA-N 1 0 339.435 4.254 50 0 EIAARO COc1cc(C[NH2+]Cc2ccc3ccccc3c2)cc(OC)c1OC ZINC000004891769 210313095 /nfs/dbraw/zinc/31/30/95/210313095.db2.gz NXSQTQBKAZNIAZ-UHFFFAOYSA-N 1 0 337.419 4.155 50 0 EIAARO Cc1ccc(-c2cccc(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000299755038 262540950 /nfs/dbraw/zinc/54/09/50/262540950.db2.gz AKRUJWLZNYLVEN-JOCHJYFZSA-N 1 0 349.478 4.269 50 0 EIAARO Brc1cc(-c2ccccc2)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770543 563924873 /nfs/dbraw/zinc/92/48/73/563924873.db2.gz KKYGNSLNSGKEJU-ZDUSSCGKSA-N 1 0 332.241 4.104 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CCOCCOc2c(Cl)cccc2Cl)C1 ZINC000002822565 564116979 /nfs/dbraw/zinc/11/69/79/564116979.db2.gz QJSHTIFNZQUCQL-KBPBESRZSA-N 1 0 346.298 4.367 50 0 EIAARO Brc1ccc(CN2c3ccccc3N3CCC[NH+]=C23)cc1 ZINC000000182227 563254383 /nfs/dbraw/zinc/25/43/83/563254383.db2.gz APTWNHRYECXHPP-UHFFFAOYSA-N 1 0 342.240 4.035 50 0 EIAARO c1c(-c2ccccc2)n(CC[NH+]2CCCCC2)c2nc3ccccc3n12 ZINC000000349628 563289073 /nfs/dbraw/zinc/28/90/73/563289073.db2.gz OCOYXPRIWSLHAL-UHFFFAOYSA-N 1 0 344.462 4.442 50 0 biogenic EIAARO CC[NH+](CC)CCSC(=O)C(c1ccccc1)c1ccccc1 ZINC000001957899 563417311 /nfs/dbraw/zinc/41/73/11/563417311.db2.gz WHLUQAYNVOGZST-UHFFFAOYSA-N 1 0 327.493 4.420 50 0 in-man EIAARO Brc1ccc(OCCCCCC[NH+]2CCCC2)cc1 ZINC000002494202 563434159 /nfs/dbraw/zinc/43/41/59/563434159.db2.gz GKOBIBHRDOCTTK-UHFFFAOYSA-N 1 0 326.278 4.484 50 0 EIAARO C[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3C(F)(F)F)CC2)C1 ZINC000002735146 563447747 /nfs/dbraw/zinc/44/77/47/563447747.db2.gz TWIGODQZHWZWPP-OAHLLOKOSA-N 1 0 340.433 4.402 50 0 EIAARO CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cccs2)CC1 ZINC000034683021 563450531 /nfs/dbraw/zinc/45/05/31/563450531.db2.gz OILQITKINVZXGE-UHFFFAOYSA-N 1 0 342.508 4.464 50 0 EIAARO CCCC[NH2+]Cc1cc(OCC)c(OCC)cc1Br ZINC000002846133 563455287 /nfs/dbraw/zinc/45/52/87/563455287.db2.gz FRZOPWWIAGMKJM-UHFFFAOYSA-N 1 0 330.266 4.136 50 0 EIAARO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000006207075 563561295 /nfs/dbraw/zinc/56/12/95/563561295.db2.gz FNTQSSOSKVXVBV-SFHVURJKSA-N 1 0 336.479 4.084 50 0 EIAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3ccc(OC)cc3)c2c1 ZINC000006570122 563572799 /nfs/dbraw/zinc/57/27/99/563572799.db2.gz BNOSFKGYYSUPRM-UHFFFAOYSA-N 1 0 336.391 4.472 50 0 EIAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1F ZINC000006699936 563579470 /nfs/dbraw/zinc/57/94/70/563579470.db2.gz HOCDZYJTFIECCE-UHFFFAOYSA-N 1 0 327.403 4.456 50 0 EIAARO CCOc1ccccc1CN1CC[N@@H+]2CCC[C@H]2[C@H]1C1CCCCC1 ZINC000584904383 563602089 /nfs/dbraw/zinc/60/20/89/563602089.db2.gz WLKXQMWVHDLBJL-RBBKRZOGSA-N 1 0 342.527 4.314 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccc([C@H](C)O)cc3)o2)cc1 ZINC000007541257 563605627 /nfs/dbraw/zinc/60/56/27/563605627.db2.gz GVMPSTZBLBPSKY-HNNXBMFYSA-N 1 0 337.419 4.298 50 0 EIAARO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)N2c3ccccc3NC2=[NH+]1 ZINC000008741475 563638781 /nfs/dbraw/zinc/63/87/81/563638781.db2.gz DDJLOVIJRNKTOR-IBGZPJMESA-N 1 0 347.418 4.255 50 0 EIAARO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2cn3ccccc3n2)cc1 ZINC000071924155 563649606 /nfs/dbraw/zinc/64/96/06/563649606.db2.gz XPANORKTEFVZQC-HXUWFJFHSA-N 1 0 335.451 4.460 50 0 EIAARO Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)cnn1-c1ccccc1 ZINC000012590344 563664180 /nfs/dbraw/zinc/66/41/80/563664180.db2.gz JZBQEEMPOUDLOL-ZDUSSCGKSA-N 1 0 327.378 4.310 50 0 EIAARO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3ccc(C)s3)c2C)cc1 ZINC000014976826 563769645 /nfs/dbraw/zinc/76/96/45/563769645.db2.gz VKPNQDBANHPQAA-AWEZNQCLSA-N 1 0 341.480 4.410 50 0 EIAARO CCCC[NH2+]Cc1cc(Br)ccc1OCc1cccnc1 ZINC000015356888 563783481 /nfs/dbraw/zinc/78/34/81/563783481.db2.gz OLDUVSVTVDYBFU-UHFFFAOYSA-N 1 0 349.272 4.313 50 0 EIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000015582157 563787549 /nfs/dbraw/zinc/78/75/49/563787549.db2.gz RIOCHZCKDPKRJD-UHFFFAOYSA-N 1 0 341.405 4.116 50 0 EIAARO Fc1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c2c(c1)COCO2 ZINC000016047108 563802857 /nfs/dbraw/zinc/80/28/57/563802857.db2.gz ZHWKHTBPJKHROS-UHFFFAOYSA-N 1 0 341.426 4.147 50 0 EIAARO CCCc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016603753 563816633 /nfs/dbraw/zinc/81/66/33/563816633.db2.gz CZGCPVKELKOUEO-UHFFFAOYSA-N 1 0 336.479 4.034 50 0 EIAARO COc1ccc(-c2c[n+](Cc3cccc(Cl)c3)c3n2CCC3)cc1 ZINC000017016205 563828446 /nfs/dbraw/zinc/82/84/46/563828446.db2.gz PVLOKPWUSNFTNX-UHFFFAOYSA-N 1 0 339.846 4.099 50 0 EIAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCCC1)c1ccco1 ZINC000027582643 563897179 /nfs/dbraw/zinc/89/71/79/563897179.db2.gz VKTXWIVHFAZLNV-KRWDZBQOSA-N 1 0 346.858 4.280 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c2ccc(C)cc12 ZINC000028297091 563902477 /nfs/dbraw/zinc/90/24/77/563902477.db2.gz XYNAGHMHYXSCDA-CVAIRZPRSA-N 1 0 328.500 4.096 50 0 EIAARO COc1cc(OC)c(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1Br ZINC000000183540 563917053 /nfs/dbraw/zinc/91/70/53/563917053.db2.gz AREXKMGOXFFPOL-SMDDNHRTSA-N 1 0 342.277 4.135 50 0 EIAARO Cc1cc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc(C)c1Cl ZINC000002674785 563917983 /nfs/dbraw/zinc/91/79/83/563917983.db2.gz ZCYYUSJJSWGWPN-RDJZCZTQSA-N 1 0 333.859 4.047 50 0 EIAARO COc1ccc2ccccc2c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000023280476 563918243 /nfs/dbraw/zinc/91/82/43/563918243.db2.gz VWOCOQGCZRFPTE-UHFFFAOYSA-N 1 0 338.495 4.299 50 0 EIAARO O=C(NCC[NH+]1CCCCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000071804296 563922465 /nfs/dbraw/zinc/92/24/65/563922465.db2.gz VQWFAVCOCPFOJW-UHFFFAOYSA-N 1 0 346.858 4.206 50 0 EIAARO O=C(Nc1ccccc1)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000058007398 563936511 /nfs/dbraw/zinc/93/65/11/563936511.db2.gz PEZSGEQJTCZHIL-NRFANRHFSA-N 1 0 334.463 4.415 50 0 EIAARO C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000058051118 563936970 /nfs/dbraw/zinc/93/69/70/563936970.db2.gz QQSBFCYTIJKPHG-HOTGVXAUSA-N 1 0 349.434 4.034 50 0 EIAARO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1)c1cccs1 ZINC000096477587 563955032 /nfs/dbraw/zinc/95/50/32/563955032.db2.gz XKJGTGKOJDMYJT-KBPBESRZSA-N 1 0 348.487 4.260 50 0 EIAARO CC[C@H](C)[N@H+](Cc1cn(C(C)=O)c2ccccc12)Cc1cccnc1 ZINC000063846915 563956166 /nfs/dbraw/zinc/95/61/66/563956166.db2.gz PTTZELQHIXMVPC-INIZCTEOSA-N 1 0 335.451 4.497 50 0 EIAARO C[C@@H](c1ccc(-c2cccc(F)c2C(N)=O)cc1)[NH+]1CCCCC1 ZINC000065380323 563958904 /nfs/dbraw/zinc/95/89/04/563958904.db2.gz CAYFSEKZISGRGN-AWEZNQCLSA-N 1 0 326.415 4.139 50 0 EIAARO C[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000065385698 563959326 /nfs/dbraw/zinc/95/93/26/563959326.db2.gz GBFBXUZIJASNEH-MRXNPFEDSA-N 1 0 345.446 4.471 50 0 EIAARO Cn1c2ccc(-c3cccc4c3CC[NH2+]C4)cc2c2c1C(=O)CCC2 ZINC000071758867 563965349 /nfs/dbraw/zinc/96/53/49/563965349.db2.gz XLEBXBNBYZKOPR-UHFFFAOYSA-N 1 0 330.431 4.010 50 0 EIAARO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccc2ccccc2n1 ZINC000071767408 563965539 /nfs/dbraw/zinc/96/55/39/563965539.db2.gz LDPYHPSUJRODNP-OAQYLSRUSA-N 1 0 334.463 4.049 50 0 EIAARO CSc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000060580940 563965949 /nfs/dbraw/zinc/96/59/49/563965949.db2.gz RBBMMFHNAARJDR-QGZVFWFLSA-N 1 0 340.492 4.259 50 0 EIAARO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cc(Br)ccc1F ZINC000097016622 563966745 /nfs/dbraw/zinc/96/67/45/563966745.db2.gz NKQUROFCSGKVJK-LLVKDONJSA-N 1 0 338.220 4.187 50 0 EIAARO Cc1ncc([C@@H](C)[NH2+][C@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 ZINC000097016666 563966763 /nfs/dbraw/zinc/96/67/63/563966763.db2.gz LOSCESVVOJVBIJ-XIKOKIGWSA-N 1 0 347.409 4.423 50 0 EIAARO Cc1cccc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)c1 ZINC000077339235 563969044 /nfs/dbraw/zinc/96/90/44/563969044.db2.gz BDFRNZTVJUQHBU-OAQYLSRUSA-N 1 0 336.479 4.424 50 0 EIAARO OCc1ccc(C[NH2+]C[C@@H]2CC3c4ccccc4C2c2ccccc23)o1 ZINC000097212645 563970535 /nfs/dbraw/zinc/97/05/35/563970535.db2.gz MDTJJRUWOHQCMV-XGSULNKDSA-N 1 0 345.442 4.159 50 0 EIAARO C[C@@H]([NH2+]C[C@H](CCO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000585134810 563971850 /nfs/dbraw/zinc/97/18/50/563971850.db2.gz KOGXGQFSUDCGIM-APWZRJJASA-N 1 0 336.435 4.158 50 0 EIAARO COc1cc(F)c([C@H](C)[NH2+]Cc2cccc3c2NCCC3)cc1OC ZINC000585136581 563971926 /nfs/dbraw/zinc/97/19/26/563971926.db2.gz LSZIAHSUXHIEFE-ZDUSSCGKSA-N 1 0 344.430 4.052 50 0 EIAARO Clc1nccc2oc(C[NH+]3CCC(OC4CCCC4)CC3)cc21 ZINC000585136460 563971929 /nfs/dbraw/zinc/97/19/29/563971929.db2.gz HENYQGMFRSIOIU-UHFFFAOYSA-N 1 0 334.847 4.405 50 0 EIAARO C[C@H]1CCC[N@H+](CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)C1 ZINC000033312143 563973578 /nfs/dbraw/zinc/97/35/78/563973578.db2.gz LWZCNNLMZNVCBU-HNNXBMFYSA-N 1 0 349.906 4.316 50 0 EIAARO Fc1ccc([C@H]2CCN2Cc2ccc(C[NH+]3CCCC3)s2)cc1 ZINC000097814957 563981961 /nfs/dbraw/zinc/98/19/61/563981961.db2.gz FKGQVMVHTWRZLK-LJQANCHMSA-N 1 0 330.472 4.430 50 0 EIAARO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000225549290 563991315 /nfs/dbraw/zinc/99/13/15/563991315.db2.gz BAXFOZYYYZSFLH-LSDHHAIUSA-N 1 0 335.473 4.100 50 0 EIAARO O[C@H](CN1c2ccccc2Sc2ccccc21)C[NH+]1CCCCC1 ZINC000000351089 563991551 /nfs/dbraw/zinc/99/15/51/563991551.db2.gz UEDNDOCCDJZUAB-INIZCTEOSA-N 1 0 340.492 4.136 50 0 EIAARO C(=C\c1ccccc1)\CN1CCN(Cc2nc3ccccc3s2)CC1 ZINC000033498974 563992318 /nfs/dbraw/zinc/99/23/18/563992318.db2.gz SXCSBRHTHVJIAG-TWGQIWQCSA-N 1 0 349.503 4.127 50 0 EIAARO Cc1cc([C@H](C)NCc2ccnc(Oc3ccccc3F)c2)no1 ZINC000252482957 563997706 /nfs/dbraw/zinc/99/77/06/563997706.db2.gz DRDAOKGHOKMCPN-ZDUSSCGKSA-N 1 0 327.359 4.160 50 0 EIAARO C[NH+](C)C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1Cl ZINC000005573652 564005743 /nfs/dbraw/zinc/00/57/43/564005743.db2.gz ZUSLYFXPBPWQOH-ABAIWWIYSA-N 1 0 330.255 4.271 50 0 EIAARO C[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273510729 564007787 /nfs/dbraw/zinc/00/77/87/564007787.db2.gz QXAKRJUXUJCLIM-ICSRJNTNSA-N 1 0 339.414 4.054 50 0 EIAARO COc1cc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2C)cc1OC ZINC000000183490 564012148 /nfs/dbraw/zinc/01/21/48/564012148.db2.gz UCXXVXIRWXGCGZ-BXUZGUMPSA-N 1 0 342.277 4.135 50 0 EIAARO Cn1c2ccccc2n2cc(-c3ccc(Br)cc3)nc12 ZINC000000507474 564019699 /nfs/dbraw/zinc/01/96/99/564019699.db2.gz CGFJWUAKJJTMLO-UHFFFAOYSA-N 1 0 326.197 4.256 50 0 EIAARO CC(C)Oc1ccc([C@@H](NC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000013685492 564020584 /nfs/dbraw/zinc/02/05/84/564020584.db2.gz TWODAZQSOLGALR-QFIPXVFZSA-N 1 0 338.495 4.247 50 0 EIAARO CC[N@@H+](Cc1nnc(-c2c(C)onc2-c2ccccc2)o1)CC(C)C ZINC000046064338 564029408 /nfs/dbraw/zinc/02/94/08/564029408.db2.gz JIKRYGZUQJHYEE-UHFFFAOYSA-N 1 0 340.427 4.178 50 0 EIAARO O[C@H](C[N@H+](Cc1cccs1)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000048252596 564030456 /nfs/dbraw/zinc/03/04/56/564030456.db2.gz AJBZTCLRXUIIOQ-MRXNPFEDSA-N 1 0 341.398 4.465 50 0 EIAARO CC(C)c1ccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000000819308 564035218 /nfs/dbraw/zinc/03/52/18/564035218.db2.gz BBUMEKADZAVSLC-GOSISDBHSA-N 1 0 342.527 4.281 50 0 EIAARO OCC[N@H+](Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000000819192 564035224 /nfs/dbraw/zinc/03/52/24/564035224.db2.gz RPCZLRPLZSXEGO-UHFFFAOYSA-N 1 0 347.458 4.260 50 0 EIAARO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(C)c(OC)c2)c1 ZINC000240225440 564051697 /nfs/dbraw/zinc/05/16/97/564051697.db2.gz DHUNQNXPWSPMMI-HNNXBMFYSA-N 1 0 340.467 4.278 50 0 EIAARO Fc1ccc(Cn2cc(C[NH2+]C[C@H]3CCCO3)c3ccccc32)cc1 ZINC000247543622 564052742 /nfs/dbraw/zinc/05/27/42/564052742.db2.gz SXXRESMAIQOPQO-LJQANCHMSA-N 1 0 338.426 4.097 50 0 EIAARO COCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247835912 564052785 /nfs/dbraw/zinc/05/27/85/564052785.db2.gz JIDHLYQAZFJISN-UHFFFAOYSA-N 1 0 342.870 4.469 50 0 EIAARO COCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000247828338 564052786 /nfs/dbraw/zinc/05/27/86/564052786.db2.gz GROCXNANAQTPNQ-UHFFFAOYSA-N 1 0 342.870 4.469 50 0 EIAARO OCC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247741313 564052798 /nfs/dbraw/zinc/05/27/98/564052798.db2.gz OOXQUAGKLPRDMD-UHFFFAOYSA-N 1 0 349.261 4.078 50 0 EIAARO CCCn1cc(C[NH2+]CCc2nc3ccccc3[nH]2)c2ccccc21 ZINC000248013953 564052885 /nfs/dbraw/zinc/05/28/85/564052885.db2.gz SBCKGINWCLEJNP-UHFFFAOYSA-N 1 0 332.451 4.260 50 0 EIAARO Cc1ccccc1Cn1nc(C[NH2+]C2CCCC2)c(-c2ccccc2)n1 ZINC000248129315 564053033 /nfs/dbraw/zinc/05/30/33/564053033.db2.gz ABBNDTIHCXKAGQ-UHFFFAOYSA-N 1 0 346.478 4.334 50 0 EIAARO Cc1ccccc1Cn1nc(C[NH2+]CC(C)C)c(-c2ccccc2)n1 ZINC000248155069 564053035 /nfs/dbraw/zinc/05/30/35/564053035.db2.gz LNEUIRAGLBHTIZ-UHFFFAOYSA-N 1 0 334.467 4.047 50 0 EIAARO CCCCC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248265301 564053131 /nfs/dbraw/zinc/05/31/31/564053131.db2.gz NYMCIBUWYDFVRW-UHFFFAOYSA-N 1 0 334.467 4.273 50 0 EIAARO CCN1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000249685495 564053162 /nfs/dbraw/zinc/05/31/62/564053162.db2.gz FUSJRYUTNLUVHU-OAQYLSRUSA-N 1 0 347.506 4.264 50 0 EIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc(-c2ccccc2)on1 ZINC000041971392 564058131 /nfs/dbraw/zinc/05/81/31/564058131.db2.gz CWSCPJQUYILBKW-UHFFFAOYSA-N 1 0 347.418 4.190 50 0 EIAARO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCOc4ccccc42)C3)cc1 ZINC000248408656 564064716 /nfs/dbraw/zinc/06/47/16/564064716.db2.gz CGJFPXBAYQZJKY-IIZPIQPGSA-N 1 0 348.490 4.295 50 0 EIAARO Fc1ccc(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)cc1 ZINC000012752083 564067080 /nfs/dbraw/zinc/06/70/80/564067080.db2.gz MWBODPIZBBAKRE-UHFFFAOYSA-N 1 0 341.455 4.148 50 0 EIAARO C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012773363 564069114 /nfs/dbraw/zinc/06/91/14/564069114.db2.gz PTBYQWLNBXUIQE-PXAZEXFGSA-N 1 0 348.368 4.310 50 0 EIAARO Cc1ccccc1[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012775234 564069201 /nfs/dbraw/zinc/06/92/01/564069201.db2.gz MFIKZJSFLIJVHU-GOSISDBHSA-N 1 0 336.479 4.472 50 0 EIAARO C[S@@](=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000085298491 564072416 /nfs/dbraw/zinc/07/24/16/564072416.db2.gz OUHROZZAPCETEG-RDGATRHJSA-N 1 0 349.499 4.498 50 0 EIAARO Clc1ccc(COCC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000075156584 564086207 /nfs/dbraw/zinc/08/62/07/564086207.db2.gz YRCCIUXLTSMZOF-UHFFFAOYSA-N 1 0 330.859 4.164 50 0 EIAARO CC(C)c1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2F)cc1 ZINC000013001839 564086291 /nfs/dbraw/zinc/08/62/91/564086291.db2.gz NLULXVAGHCTHFW-UHFFFAOYSA-N 1 0 328.431 4.410 50 0 EIAARO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000239667435 564088220 /nfs/dbraw/zinc/08/82/20/564088220.db2.gz BQAPKQILMDHOEJ-NQIIRXRSSA-N 1 0 340.511 4.225 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000239882233 564088227 /nfs/dbraw/zinc/08/82/27/564088227.db2.gz DAPGXQOUCOUGBX-QZTJIDSGSA-N 1 0 329.488 4.113 50 0 EIAARO CC[N@H+](C)C[C@H](C)CNC(=O)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000426394770 564093589 /nfs/dbraw/zinc/09/35/89/564093589.db2.gz YIWNHFAFBPVKQP-OAHLLOKOSA-N 1 0 342.458 4.119 50 0 EIAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1ccc(-c2ccc3occc3c2)cc1 ZINC000426684479 564094394 /nfs/dbraw/zinc/09/43/94/564094394.db2.gz NASUYZWTZOFIRP-INIZCTEOSA-N 1 0 348.446 4.124 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)s1)C[C@H](O)COc1ccccc1 ZINC000036101231 564096180 /nfs/dbraw/zinc/09/61/80/564096180.db2.gz BCEFFUNBHPCBGO-WBVHZDCISA-N 1 0 333.497 4.097 50 0 EIAARO Cc1cccc(-c2noc(C[NH+]3CCC(Cc4ccccc4)CC3)n2)c1 ZINC000006737025 564096653 /nfs/dbraw/zinc/09/66/53/564096653.db2.gz MVUUWTIFSBBAOY-UHFFFAOYSA-N 1 0 347.462 4.500 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1C ZINC000169681683 564098219 /nfs/dbraw/zinc/09/82/19/564098219.db2.gz WCNOVDSGSGRTIE-TZIWHRDSSA-N 1 0 341.495 4.344 50 0 EIAARO Cc1cccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1C ZINC000006877339 564100376 /nfs/dbraw/zinc/10/03/76/564100376.db2.gz MQUCCCACHIUBCP-UHFFFAOYSA-N 1 0 343.515 4.423 50 0 EIAARO CC(C)n1cc2cc(C(=O)NCCC[NH+]3CCC(C)CC3)sc2c1 ZINC000065285524 564104327 /nfs/dbraw/zinc/10/43/27/564104327.db2.gz HTMSJRJNKQISKM-UHFFFAOYSA-N 1 0 347.528 4.136 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1F ZINC000007437325 564108466 /nfs/dbraw/zinc/10/84/66/564108466.db2.gz ZUYXZWVZMSOYTN-UHFFFAOYSA-N 1 0 346.833 4.005 50 0 EIAARO Cc1ccccc1[C@H]1CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000170597812 564109180 /nfs/dbraw/zinc/10/91/80/564109180.db2.gz BOLDPZYHKDUMPI-JOCHJYFZSA-N 1 0 348.490 4.107 50 0 EIAARO CC(C)c1ccc(NC(=S)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000007526448 564109852 /nfs/dbraw/zinc/10/98/52/564109852.db2.gz XXSDJILNPBPPHK-UHFFFAOYSA-N 1 0 333.545 4.406 50 0 EIAARO CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000170624922 564110408 /nfs/dbraw/zinc/11/04/08/564110408.db2.gz BRDSFTLHQIRNKE-FQEVSTJZSA-N 1 0 336.435 4.055 50 0 EIAARO C[N@H+](Cc1cc(Cl)cc2cccnc21)[C@@H](CCO)c1ccccc1 ZINC000075897471 564113357 /nfs/dbraw/zinc/11/33/57/564113357.db2.gz NLAIHDHWSMJTRC-IBGZPJMESA-N 1 0 340.854 4.444 50 0 EIAARO COc1ccc([C@H](C)[NH2+]CCSc2ccccc2)cc1NC(C)=O ZINC000089904730 564115014 /nfs/dbraw/zinc/11/50/14/564115014.db2.gz OIGRYFKGGOCXFB-AWEZNQCLSA-N 1 0 344.480 4.097 50 0 EIAARO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2)cc1 ZINC000076082232 564115451 /nfs/dbraw/zinc/11/54/51/564115451.db2.gz GTKSAFUNXMBERJ-CXAGYDPISA-N 1 0 334.257 4.142 50 0 EIAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000089948697 564115735 /nfs/dbraw/zinc/11/57/35/564115735.db2.gz UFWSIRDZPDKLCM-QEORTHHSSA-N 1 0 342.405 4.003 50 0 EIAARO CCc1cc(OCCOCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1Cl ZINC000002823027 564116980 /nfs/dbraw/zinc/11/69/80/564116980.db2.gz QRLNFGUEUKAUKK-HZPDHXFCSA-N 1 0 339.907 4.276 50 0 EIAARO c1coc(-c2ncc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCCO3)s2)c1 ZINC000193068533 564118373 /nfs/dbraw/zinc/11/83/73/564118373.db2.gz DIKRGGLHOCNTEH-WMZOPIPTSA-N 1 0 340.448 4.413 50 0 EIAARO CC(C)CC[C@H](CC[NH2+]C1CCN(C)CC1)c1ccc2c(c1)OCO2 ZINC000002208784 564121199 /nfs/dbraw/zinc/12/11/99/564121199.db2.gz PGDITDMWDRQRTE-QGZVFWFLSA-N 1 0 346.515 4.009 50 0 EIAARO CC[NH2+]Cc1ccccc1NC(=O)c1cccc(C(F)(F)F)c1F ZINC000195536811 564123626 /nfs/dbraw/zinc/12/36/26/564123626.db2.gz AXHRPOBACJAGEC-UHFFFAOYSA-N 1 0 340.320 4.206 50 0 EIAARO CC(C)(C)OC(=O)Nc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000253370123 564130329 /nfs/dbraw/zinc/13/03/29/564130329.db2.gz MJNSRTOJKIISKU-SJORKVTESA-N 1 0 331.460 4.072 50 0 EIAARO Clc1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC000253388654 564130432 /nfs/dbraw/zinc/13/04/32/564130432.db2.gz BSYRCJUYJNQRAO-ZFWWWQNUSA-N 1 0 331.847 4.402 50 0 EIAARO COc1ccc2[nH]cc(C3CC[NH+](Cc4nccs4)CC3)c2c1 ZINC000253417269 564130814 /nfs/dbraw/zinc/13/08/14/564130814.db2.gz IEWAXBFDCRAEMF-UHFFFAOYSA-N 1 0 327.453 4.013 50 0 EIAARO CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)o1 ZINC000253417242 564130819 /nfs/dbraw/zinc/13/08/19/564130819.db2.gz CMTHNOUOBAIFOH-ZIAGYGMSSA-N 1 0 339.361 4.077 50 0 EIAARO CC(C)CC[C@H](CC[NH2+]C[C@H]1CCCO1)c1ccc2c(c1)OCO2 ZINC000002332748 564132374 /nfs/dbraw/zinc/13/23/74/564132374.db2.gz YESDLGNBFIQNOS-SJLPKXTDSA-N 1 0 333.472 4.094 50 0 EIAARO C[C@@](O)(C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000095467444 564141078 /nfs/dbraw/zinc/14/10/78/564141078.db2.gz DTQBCYIHDQFTNM-NHCUHLMSSA-N 1 0 343.417 4.398 50 0 EIAARO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(-c2ccncc2)cc1 ZINC000095967540 564143064 /nfs/dbraw/zinc/14/30/64/564143064.db2.gz IHLDDGKTEFDTMQ-HNNXBMFYSA-N 1 0 345.437 4.129 50 0 EIAARO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)CSC(C)(C)C)CC2)cc1 ZINC000095967637 564143079 /nfs/dbraw/zinc/14/30/79/564143079.db2.gz ZMGDVAVTUYFAKM-MRXNPFEDSA-N 1 0 348.556 4.109 50 0 EIAARO O[C@H](C1CC[NH+]([C@H]2CCCCc3ccccc32)CC1)C(F)(F)F ZINC000095968376 564143203 /nfs/dbraw/zinc/14/32/03/564143203.db2.gz JCCCIRUULSLXLX-DLBZAZTESA-N 1 0 327.390 4.089 50 0 EIAARO Fc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000096013541 564144789 /nfs/dbraw/zinc/14/47/89/564144789.db2.gz IRSTYNNTMFFZIQ-RTWAWAEBSA-N 1 0 335.426 4.431 50 0 EIAARO CC[NH+](CC)CCOC(=S)NC(c1ccccc1)c1ccccc1 ZINC000096026352 564144909 /nfs/dbraw/zinc/14/49/09/564144909.db2.gz LJZAYTLQVGIPBG-UHFFFAOYSA-N 1 0 342.508 4.009 50 0 EIAARO CCC(=O)O[C@@H](c1ccccc1)[C@H](Cc1ccccc1)C[NH+](C)C ZINC000096027119 564144985 /nfs/dbraw/zinc/14/49/85/564144985.db2.gz XYISHAFTUAWSFR-CTNGQTDRSA-N 1 0 325.452 4.101 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C/C=C/[C@@](O)(c1ccccc1)c1ccccn1 ZINC000096028192 564145059 /nfs/dbraw/zinc/14/50/59/564145059.db2.gz YOGCIXBRKGGRLY-XQRVJETNSA-N 1 0 336.479 4.137 50 0 EIAARO CCc1nc(NCC[NH+]2CCCC2)c2cc(Cl)cc(Cl)c2n1 ZINC000096290187 564146392 /nfs/dbraw/zinc/14/63/92/564146392.db2.gz QQMDQRGELQOMFN-UHFFFAOYSA-N 1 0 339.270 4.007 50 0 EIAARO Cc1csc(C2([NH2+]CC[C@H](C)c3ccccc3)CCOCC2)n1 ZINC000225585941 564149833 /nfs/dbraw/zinc/14/98/33/564149833.db2.gz FZGLUEYCXNAWHM-HNNXBMFYSA-N 1 0 330.497 4.241 50 0 EIAARO COc1cccc2cc([C@@H](C)[NH2+]Cc3cccc(OC)c3OC)oc21 ZINC000028925823 564152832 /nfs/dbraw/zinc/15/28/32/564152832.db2.gz VFSIIEFYLQQYMX-CYBMUJFWSA-N 1 0 341.407 4.309 50 0 EIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2ccc(C)cc2C)CC1 ZINC000003060148 564154849 /nfs/dbraw/zinc/15/48/49/564154849.db2.gz CIIGAVQQPAFQNJ-MRXNPFEDSA-N 1 0 333.545 4.195 50 0 EIAARO C[C@@H]([NH2+]Cc1cccs1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003284443 564156983 /nfs/dbraw/zinc/15/69/83/564156983.db2.gz UZAQKDSLSVVUPR-SECBINFHSA-N 1 0 329.252 4.172 50 0 EIAARO CCCCCN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000058060266 564157385 /nfs/dbraw/zinc/15/73/85/564157385.db2.gz WBYBOKVWHOZCRK-KRWDZBQOSA-N 1 0 335.492 4.027 50 0 EIAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1sccc1Cl ZINC000670463852 564161709 /nfs/dbraw/zinc/16/17/09/564161709.db2.gz GBKQCHZMJVMVEL-OAHLLOKOSA-N 1 0 348.899 4.011 50 0 EIAARO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(OC(F)F)cc1 ZINC000066970945 564164877 /nfs/dbraw/zinc/16/48/77/564164877.db2.gz WLUBVHRPLWFWSX-GFCCVEGCSA-N 1 0 331.366 4.026 50 0 EIAARO CC(C)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008406390 564165150 /nfs/dbraw/zinc/16/51/50/564165150.db2.gz XGEABYIVVSSRPC-UHFFFAOYSA-N 1 0 336.479 4.336 50 0 EIAARO c1ccc(SCCOCC[N@@H+]2CCCC[C@@H]2c2cccnc2)cc1 ZINC000008744433 564167200 /nfs/dbraw/zinc/16/72/00/564167200.db2.gz UIMVARSOZJNXHS-HXUWFJFHSA-N 1 0 342.508 4.418 50 0 biogenic EIAARO CC(C)(C)[NH2+]CCNc1nc(-c2cccs2)nc2ccccc21 ZINC000069520805 564170132 /nfs/dbraw/zinc/17/01/32/564170132.db2.gz ZAOGGJCWPXWOPG-UHFFFAOYSA-N 1 0 326.469 4.158 50 0 EIAARO CCc1ccsc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000069772759 564172109 /nfs/dbraw/zinc/17/21/09/564172109.db2.gz KPOGYBDXFDFFAQ-UHFFFAOYSA-N 1 0 343.496 4.069 50 0 EIAARO CCOc1cccc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)c1 ZINC000174647168 564174686 /nfs/dbraw/zinc/17/46/86/564174686.db2.gz SRYMTQKCDNIPAG-UHFFFAOYSA-N 1 0 329.415 4.020 50 0 EIAARO Cc1cc(N(C)Cc2cc(-c3cccnc3)no2)c2ccccc2[nH+]1 ZINC000077439802 564176711 /nfs/dbraw/zinc/17/67/11/564176711.db2.gz SHFHUZOTEJXPST-UHFFFAOYSA-N 1 0 330.391 4.230 50 0 EIAARO Cc1cnc(-c2cccnc2)n1[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC000581808071 1021881689 /nfs/dbraw/zinc/88/16/89/1021881689.db2.gz WXNLNCYYWMBHMP-NRFANRHFSA-N 1 0 346.478 4.399 50 0 EIAARO C[C@@H]([NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12)c1ccncc1F ZINC000328776448 1022073112 /nfs/dbraw/zinc/07/31/12/1022073112.db2.gz FOPMDFGMRDFAHC-WCGZIJFHSA-N 1 0 339.414 4.354 50 0 EIAARO Cc1nc([C@H]2CC23CC[NH+](Cc2c(C)cc(C)cc2C)CC3)no1 ZINC000257186507 1022703115 /nfs/dbraw/zinc/70/31/15/1022703115.db2.gz KMUVAJABCCKIOS-GOSISDBHSA-N 1 0 325.456 4.073 50 0 EIAARO CC1CC[NH+](CCOCCOc2ccccc2-c2ccccc2)CC1 ZINC000004845313 1024868149 /nfs/dbraw/zinc/86/81/49/1024868149.db2.gz CVVWFILCNQEOER-UHFFFAOYSA-N 1 0 339.479 4.481 50 0 EIAARO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000023280606 1031347977 /nfs/dbraw/zinc/34/79/77/1031347977.db2.gz WJYIYVYHENNDET-LBPRGKRZSA-N 1 0 337.341 4.155 50 0 EIAARO Cc1cccc(C[N@@H+]2CCCCCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000257178811 1036220451 /nfs/dbraw/zinc/22/04/51/1036220451.db2.gz HECGFADVLJVLGD-OAQYLSRUSA-N 1 0 336.479 4.229 50 0 EIAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc4c5ccccc5oc43)C2)[nH]1 ZINC000825262185 1044626795 /nfs/dbraw/zinc/62/67/95/1044626795.db2.gz VUNDSRSKKJMSMX-MRXNPFEDSA-N 1 0 346.434 4.392 50 0 EIAARO O=C(C[C@H]1CCc2ccccc21)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000827807435 1044904295 /nfs/dbraw/zinc/90/42/95/1044904295.db2.gz SZDVIRQQWMPTBQ-LJQANCHMSA-N 1 0 334.463 4.341 50 0 EIAARO Cc1ccc(C(=O)N2CCC[C@@H](n3c(C)c[nH+]c3C3CCC3)C2)s1 ZINC000575547591 1045256069 /nfs/dbraw/zinc/25/60/69/1045256069.db2.gz KJJIYTMGIBGDJV-MRXNPFEDSA-N 1 0 343.496 4.306 50 0 EIAARO Cc1cnc(-c2ccccc2)n1[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000575549520 1045258056 /nfs/dbraw/zinc/25/80/56/1045258056.db2.gz NDVPUVHGDAYGKQ-HXUWFJFHSA-N 1 0 335.426 4.445 50 0 EIAARO CC[C@@H](C)[NH2+]C1CCN(c2cccc(-c3csc(C)n3)c2)CC1 ZINC000063834401 1045265464 /nfs/dbraw/zinc/26/54/64/1045265464.db2.gz RYRLPWKUYRVJJO-CQSZACIVSA-N 1 0 329.513 4.475 50 0 EIAARO Clc1cnccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000075721170 1048758831 /nfs/dbraw/zinc/75/88/31/1048758831.db2.gz YEVZQVDGLGCKBY-UHFFFAOYSA-N 1 0 330.859 4.164 50 0 EIAARO Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](OCc2ccncc2)C1 ZINC000192907871 1049510829 /nfs/dbraw/zinc/51/08/29/1049510829.db2.gz MYYZFOFDVQTSTH-GOSISDBHSA-N 1 0 333.435 4.042 50 0 EIAARO CCn1c(C)cc2cc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000952872520 1049678936 /nfs/dbraw/zinc/67/89/36/1049678936.db2.gz QNULNJDLSOYXOP-SFHVURJKSA-N 1 0 327.472 4.173 50 0 EIAARO COc1ccc(/C=C/C[NH2+][C@H]2CCCN(Cc3cccs3)C2)cc1 ZINC000952964622 1049683558 /nfs/dbraw/zinc/68/35/58/1049683558.db2.gz OKPTUNQPPQDYOT-SRSGJAESSA-N 1 0 342.508 4.024 50 0 EIAARO Cc1nc2cc(C[NH2+]Cc3ccc([C@H]4CCCCO4)o3)ccc2n1C ZINC000952968514 1049689472 /nfs/dbraw/zinc/68/94/72/1049689472.db2.gz CIHKZNLPLMVAQY-LJQANCHMSA-N 1 0 339.439 4.006 50 0 EIAARO Cc1cc2oc(=O)cc(C[N@H+]3CCC[C@@H]3c3cccn3C)c2cc1C ZINC000007854783 1049838613 /nfs/dbraw/zinc/83/86/13/1049838613.db2.gz GXMWFBRZWCFBGK-LJQANCHMSA-N 1 0 336.435 4.085 50 0 EIAARO Cc1ccncc1CCC[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000368585662 1054654617 /nfs/dbraw/zinc/65/46/17/1054654617.db2.gz WJFFEPKLUWDYAH-GOSISDBHSA-N 1 0 335.451 4.343 50 0 EIAARO Cc1ccsc1C[N@H+]1CC[C@@H](n2c(C)cnc2-c2ccncc2)C1 ZINC000581808182 1060017476 /nfs/dbraw/zinc/01/74/76/1060017476.db2.gz WMTJDFAMPAIWME-QGZVFWFLSA-N 1 0 338.480 4.070 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC000581806953 1060019568 /nfs/dbraw/zinc/01/95/68/1060019568.db2.gz FHTFESIANFFQOG-SFHVURJKSA-N 1 0 329.488 4.203 50 0 EIAARO CS[C@@H](C)CC[NH+]1CCC(n2cc(C3CCCCC3)nn2)CC1 ZINC000055183046 214284547 /nfs/dbraw/zinc/28/45/47/214284547.db2.gz RMYUKTFHYDKMPG-HNNXBMFYSA-N 1 0 336.549 4.104 50 0 EIAARO COc1cc(C[NH2+][C@H](C)Cc2ccncc2)ccc1OCC=C(C)C ZINC000055253436 214296771 /nfs/dbraw/zinc/29/67/71/214296771.db2.gz OHKUYHFKNHPCTE-QGZVFWFLSA-N 1 0 340.467 4.156 50 0 EIAARO CC[C@@H](C)[N@H+](Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000055245011 214294100 /nfs/dbraw/zinc/29/41/00/214294100.db2.gz GDXYWPDMZSRMDA-QGZVFWFLSA-N 1 0 348.450 4.465 50 0 EIAARO COc1ccc(C[N@@H+](Cc2sccc2C)CC(C)C)cc1CO ZINC000055358135 214310934 /nfs/dbraw/zinc/31/09/34/214310934.db2.gz GIXDYHJDQUCNMP-UHFFFAOYSA-N 1 0 333.497 4.216 50 0 EIAARO CSCc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1 ZINC000058381743 214567958 /nfs/dbraw/zinc/56/79/58/214567958.db2.gz PLJRFHYROOFNOV-IBGZPJMESA-N 1 0 348.556 4.180 50 0 EIAARO COc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1ccccc1C ZINC000004413638 210189525 /nfs/dbraw/zinc/18/95/25/210189525.db2.gz DXEWNZDJRHXRRK-UHFFFAOYSA-N 1 0 348.446 4.267 50 0 EIAARO Cc1cc(-c2ccc([C@H](C)[NH+]3CCCCC3)cc2)cnc1-n1cnnc1 ZINC000065503458 214936539 /nfs/dbraw/zinc/93/65/39/214936539.db2.gz HTYRXLSCBSJEIM-KRWDZBQOSA-N 1 0 347.466 4.185 50 0 EIAARO COCCC[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000003462391 210047036 /nfs/dbraw/zinc/04/70/36/210047036.db2.gz LXYASAOAWTZRBQ-UHFFFAOYSA-N 1 0 341.495 4.408 50 0 EIAARO COCC[NH2+]CCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000003461553 210046587 /nfs/dbraw/zinc/04/65/87/210046587.db2.gz MGYGKKZWXHYCQJ-UHFFFAOYSA-N 1 0 327.468 4.017 50 0 EIAARO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003322024 210007168 /nfs/dbraw/zinc/00/71/68/210007168.db2.gz JSQYUKKJLJXHJF-QZTJIDSGSA-N 1 0 336.479 4.479 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000042959962 213547583 /nfs/dbraw/zinc/54/75/83/213547583.db2.gz UXGCFCGUDFTRPG-QWHCGFSZSA-N 1 0 327.350 4.189 50 0 EIAARO Cc1cc(OCCC2CC[NH2+]CC2)c(Br)c(C)c1Cl ZINC000042770248 213532516 /nfs/dbraw/zinc/53/25/16/213532516.db2.gz SDNBEJGDKLIUCR-UHFFFAOYSA-N 1 0 346.696 4.488 50 0 EIAARO CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3ccccc3s1)C2 ZINC000067804334 215215952 /nfs/dbraw/zinc/21/59/52/215215952.db2.gz KTVQIMMWKZKOJL-HXUWFJFHSA-N 1 0 342.508 4.239 50 0 EIAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)cc1 ZINC000067908946 215248917 /nfs/dbraw/zinc/24/89/17/215248917.db2.gz LAJBYAKEVFHKAJ-LJQANCHMSA-N 1 0 347.462 4.470 50 0 EIAARO COc1ccc(Oc2cc(C[NH+]3CCCC3)ccc2OC)cc1C ZINC000067921687 215250901 /nfs/dbraw/zinc/25/09/01/215250901.db2.gz BVGGLNQJSGCUOK-UHFFFAOYSA-N 1 0 327.424 4.400 50 0 EIAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(-c3ccccc3C)c2)C1 ZINC000067982495 215267571 /nfs/dbraw/zinc/26/75/71/215267571.db2.gz UIIHZHGSOFGIOG-HXUWFJFHSA-N 1 0 336.479 4.010 50 0 EIAARO C[NH+](C)[C@@H]1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)C1 ZINC000104101485 219346825 /nfs/dbraw/zinc/34/68/25/219346825.db2.gz ZKDREEBMTDTLGO-CQSZACIVSA-N 1 0 340.858 4.111 50 0 EIAARO Fc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1F ZINC000104276700 219369343 /nfs/dbraw/zinc/36/93/43/219369343.db2.gz PAVUUPCGSDKDRN-PMACEKPBSA-N 1 0 334.454 4.194 50 0 EIAARO [NH2+]=C(NCc1cccc(COCc2ccco2)c1)Nc1ccccc1 ZINC000069350362 215384590 /nfs/dbraw/zinc/38/45/90/215384590.db2.gz OUZSYNUVDVCFDQ-UHFFFAOYSA-N 1 0 335.407 4.133 50 0 EIAARO COc1cccc(-c2nc(C[N@H+](C)[C@@H](C)C3CC3)cs2)c1OC ZINC000069371665 215391411 /nfs/dbraw/zinc/39/14/11/215391411.db2.gz JYHPIAMLZMSFFT-LBPRGKRZSA-N 1 0 332.469 4.058 50 0 EIAARO CC[C@H](C(=[NH2+])NCCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000000519643 209643731 /nfs/dbraw/zinc/64/37/31/209643731.db2.gz LKECPCGNMHWOHY-KRWDZBQOSA-N 1 0 326.440 4.007 50 0 biogenic EIAARO CCOc1ccc(C[NH2+]CCc2c(C)[nH]c3ccc(F)cc32)cc1 ZINC000036657751 213108840 /nfs/dbraw/zinc/10/88/40/213108840.db2.gz SKMSEOMHFKFSRF-UHFFFAOYSA-N 1 0 326.415 4.346 50 0 EIAARO COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)c2ccccc2)cc1 ZINC000036448988 213098445 /nfs/dbraw/zinc/09/84/45/213098445.db2.gz CNUZOMJKZZDSHE-RTWAWAEBSA-N 1 0 325.452 4.346 50 0 EIAARO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000036103027 213067306 /nfs/dbraw/zinc/06/73/06/213067306.db2.gz MSPIYUMCKYKYQR-QFIPXVFZSA-N 1 0 349.449 4.432 50 0 EIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)COc2ccccc2C)cc1 ZINC000036094938 213063424 /nfs/dbraw/zinc/06/34/24/213063424.db2.gz LUBRNIWQZQHXET-NRFANRHFSA-N 1 0 341.495 4.201 50 0 EIAARO CC(C)CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COc1ccccc1 ZINC000036031075 213056710 /nfs/dbraw/zinc/05/67/10/213056710.db2.gz DEDCKYMPDMPWHI-LJQANCHMSA-N 1 0 345.458 4.114 50 0 EIAARO CCn1c2ccccc2c2cc(C[NH2+]CCCn3ccnc3)ccc21 ZINC000035268956 213016921 /nfs/dbraw/zinc/01/69/21/213016921.db2.gz NDKZDNJKHAOIRA-UHFFFAOYSA-N 1 0 332.451 4.191 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccccc2-c2ccccc2)C1 ZINC000035052958 213005141 /nfs/dbraw/zinc/00/51/41/213005141.db2.gz ABPFCTGMKMWQTL-NSHGMRRFSA-N 1 0 339.479 4.071 50 0 EIAARO Fc1cccc(F)c1CC[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000072123875 216016733 /nfs/dbraw/zinc/01/67/33/216016733.db2.gz JDISSOVVDULLOW-INIZCTEOSA-N 1 0 330.422 4.247 50 0 EIAARO Cc1nc(CN2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)cs1 ZINC000072146867 216033803 /nfs/dbraw/zinc/03/38/03/216033803.db2.gz RROFHRXDVGMTGJ-LJQANCHMSA-N 1 0 329.513 4.240 50 0 EIAARO CC(C)=CCC/C(C)=C/C[NH+]1CCC(c2cc(=O)[nH]c(C)n2)CC1 ZINC000072148572 216034594 /nfs/dbraw/zinc/03/45/94/216034594.db2.gz SARWERFKNNNALY-LZYBPNLTSA-N 1 0 329.488 4.363 50 0 EIAARO Fc1ccc(CC[C@@H]2CCC[N@H+](CCc3ccccn3)C2)c(F)c1 ZINC000072147553 216035444 /nfs/dbraw/zinc/03/54/44/216035444.db2.gz SDBDWWBTUOMLDZ-INIZCTEOSA-N 1 0 330.422 4.247 50 0 EIAARO c1csc(C[N@H+]2CCCN(Cc3cc4ccccc4o3)CC2)c1 ZINC000072163301 216051499 /nfs/dbraw/zinc/05/14/99/216051499.db2.gz YEJFEZOEEHDPIA-UHFFFAOYSA-N 1 0 326.465 4.202 50 0 EIAARO COC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000072410912 216202698 /nfs/dbraw/zinc/20/26/98/216202698.db2.gz OFDGXSYSBPCOTD-AWEZNQCLSA-N 1 0 334.847 4.162 50 0 EIAARO Cc1cc2cccc(NC(=O)c3ccc([C@H]4CCC[NH2+]4)s3)c2o1 ZINC000023619671 212385519 /nfs/dbraw/zinc/38/55/19/212385519.db2.gz WQMAXCMPWKXWLY-CYBMUJFWSA-N 1 0 326.421 4.480 50 0 EIAARO CC[N@H+](CCc1ccccn1)Cc1cnc(Nc2ccccc2)s1 ZINC000023251067 212364728 /nfs/dbraw/zinc/36/47/28/212364728.db2.gz BVDBYDNOKHCYGY-UHFFFAOYSA-N 1 0 338.480 4.346 50 0 EIAARO COc1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2)c(OC)c1OC ZINC000022781629 212323421 /nfs/dbraw/zinc/32/34/21/212323421.db2.gz YABWLIUNYNYWKU-GFCCVEGCSA-N 1 0 335.831 4.217 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cc2c(cccc2F)s1)c1cccs1 ZINC000022687702 212317817 /nfs/dbraw/zinc/31/78/17/212317817.db2.gz PMDFDFOUDXQGFQ-ZDUSSCGKSA-N 1 0 348.468 4.135 50 0 EIAARO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000215343454 241120867 /nfs/dbraw/zinc/12/08/67/241120867.db2.gz QKRAAYYSYMVSJE-UHFFFAOYSA-N 1 0 349.434 4.082 50 0 EIAARO COc1cccc([C@H]2CCN2Cc2cc(C[NH+]3CCCC3)cs2)c1 ZINC000215622284 241134696 /nfs/dbraw/zinc/13/46/96/241134696.db2.gz JFRKWTFLSFEWMU-HXUWFJFHSA-N 1 0 342.508 4.300 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3ccccc3F)CC2)C1 ZINC000021718272 212242741 /nfs/dbraw/zinc/24/27/41/212242741.db2.gz PTZAXJNQYRJYTE-HOTGVXAUSA-N 1 0 347.478 4.048 50 0 EIAARO O[C@@H]1CCC[C@@H](C[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000230208371 242249695 /nfs/dbraw/zinc/24/96/95/242249695.db2.gz RTUWWBKEHHZFEW-JLZZUVOBSA-N 1 0 338.289 4.041 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C12CC3CC(CC(C3)C1)C2 ZINC000020876099 212181201 /nfs/dbraw/zinc/18/12/01/212181201.db2.gz DSRKQIASIFNRRG-RWLLOJOVSA-N 1 0 327.468 4.152 50 0 EIAARO COc1ccc([C@@H](C)C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1 ZINC000242302220 243016695 /nfs/dbraw/zinc/01/66/95/243016695.db2.gz YQOODWXTJVWMFQ-JXFKEZNVSA-N 1 0 327.468 4.148 50 0 EIAARO [NH3+][C@H]1C[C@H](c2cc(NCCSC3CCCCC3)nc(C3CC3)n2)C1 ZINC000243893527 243030867 /nfs/dbraw/zinc/03/08/67/243030867.db2.gz ARPBJBWODGZSLS-SHTZXODSSA-N 1 0 346.544 4.037 50 0 EIAARO Fc1ccc([C@@H](CC[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020591206 212149831 /nfs/dbraw/zinc/14/98/31/212149831.db2.gz HXIGEHGZVUBWJV-IBGZPJMESA-N 1 0 333.834 4.333 50 0 EIAARO c1ccc(CN2CC[NH+](CCCCSc3ccccc3)CC2)cc1 ZINC000020482428 212136694 /nfs/dbraw/zinc/13/66/94/212136694.db2.gz FDJAYAHDIVAVIH-UHFFFAOYSA-N 1 0 340.536 4.377 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@@H](O)c1ccccc1 ZINC000020312649 212118172 /nfs/dbraw/zinc/11/81/72/212118172.db2.gz RRGVCYTYQVAYDT-JLTOFOAXSA-N 1 0 325.383 4.297 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)[C@@H](O)c1ccccc1 ZINC000020312673 212117930 /nfs/dbraw/zinc/11/79/30/212117930.db2.gz LLHIIAUCPXOGKE-VBKZILBWSA-N 1 0 325.383 4.297 50 0 EIAARO Cc1ccccc1NC(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104348 216839019 /nfs/dbraw/zinc/83/90/19/216839019.db2.gz SBVHDEKSAZWMQD-UHFFFAOYSA-N 1 0 343.496 4.058 50 0 EIAARO Clc1ccc(CN2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000020149863 212106271 /nfs/dbraw/zinc/10/62/71/212106271.db2.gz IQZJGHNQWUIYKY-UHFFFAOYSA-N 1 0 339.870 4.139 50 0 EIAARO Fc1ccc(Br)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000020122470 212104536 /nfs/dbraw/zinc/10/45/36/212104536.db2.gz IGUHTHPPUYAMDD-UHFFFAOYSA-N 1 0 347.231 4.402 50 0 EIAARO c1ccc(C[NH+]2CCN(CCOc3cccc4ccccc43)CC2)cc1 ZINC000020118117 212103289 /nfs/dbraw/zinc/10/32/89/212103289.db2.gz OYICGQBIZLMSGL-UHFFFAOYSA-N 1 0 346.474 4.036 50 0 EIAARO Cc1cc(N2CCC[C@H](OCc3cccnc3)C2)c2ccccc2[nH+]1 ZINC000077300800 216867671 /nfs/dbraw/zinc/86/76/71/216867671.db2.gz NXFMZRVWQZXYMK-SFHVURJKSA-N 1 0 333.435 4.124 50 0 EIAARO c1ccc(C(c2ccccc2)(c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000019912832 212083844 /nfs/dbraw/zinc/08/38/44/212083844.db2.gz ZJMLMBICUVVJDX-UHFFFAOYSA-N 1 0 329.443 4.311 50 0 in-vitro EIAARO Brc1ccccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000019720606 212058737 /nfs/dbraw/zinc/05/87/37/212058737.db2.gz QFHXYQKTLIINHH-UHFFFAOYSA-N 1 0 329.241 4.263 50 0 EIAARO Fc1ccc([C@H](Cn2cnc3ccccc32)[NH2+]Cc2ccncc2)cc1 ZINC000078552697 217073842 /nfs/dbraw/zinc/07/38/42/217073842.db2.gz VZGIYBDCZCUQDQ-FQEVSTJZSA-N 1 0 346.409 4.102 50 0 EIAARO Cc1n[nH]cc1C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000078553898 217075412 /nfs/dbraw/zinc/07/54/12/217075412.db2.gz ZHASOLNQJSSBID-LLVKDONJSA-N 1 0 330.432 4.140 50 0 EIAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000016110070 211885147 /nfs/dbraw/zinc/88/51/47/211885147.db2.gz SBGWMPQPMSBXFF-UHFFFAOYSA-N 1 0 349.478 4.248 50 0 EIAARO COCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013722645 211621171 /nfs/dbraw/zinc/62/11/71/211621171.db2.gz VJARGLOCPDPRMJ-UHFFFAOYSA-N 1 0 342.870 4.469 50 0 EIAARO Cc1cccc(C)c1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000089688838 217827428 /nfs/dbraw/zinc/82/74/28/217827428.db2.gz WVEHTJHWNHARQU-UHFFFAOYSA-N 1 0 329.488 4.080 50 0 EIAARO OC[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000012430835 211377211 /nfs/dbraw/zinc/37/72/11/211377211.db2.gz PDNDSRQTMGQSOZ-HXUWFJFHSA-N 1 0 347.861 4.296 50 0 EIAARO CCOc1ccc(CC[NH2+]Cc2ccc(Cl)cc2)cc1OCC ZINC000012395897 211367585 /nfs/dbraw/zinc/36/75/85/211367585.db2.gz VTLJTPYBMSAHRN-UHFFFAOYSA-N 1 0 333.859 4.470 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)c1ccsc1 ZINC000012349043 211354469 /nfs/dbraw/zinc/35/44/69/211354469.db2.gz QPFMBQYRUHBKDS-KRWDZBQOSA-N 1 0 330.497 4.078 50 0 EIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)Nc1ccc(Cl)cc1 ZINC000012355575 211354376 /nfs/dbraw/zinc/35/43/76/211354376.db2.gz QHTAGZZQLMXAIY-MRXNPFEDSA-N 1 0 349.887 4.360 50 0 EIAARO Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)n1 ZINC000012319749 211344815 /nfs/dbraw/zinc/34/48/15/211344815.db2.gz FXRSVCJYTMRVIJ-INIZCTEOSA-N 1 0 328.843 4.138 50 0 EIAARO Cc1cccc(-n2ncc3c2CCC[C@H]3[NH2+]C2CCSCC2)c1C ZINC000012300251 211337236 /nfs/dbraw/zinc/33/72/36/211337236.db2.gz DNEAOVVZJIVFFR-GOSISDBHSA-N 1 0 341.524 4.352 50 0 EIAARO CC[C@H](C)C[NH+]1CCC2(C[C@H]2C(=O)Nc2ccc(SC)cc2)CC1 ZINC000012200502 211319264 /nfs/dbraw/zinc/31/92/64/211319264.db2.gz HZLYGAAAVCKYAP-YJBOKZPZSA-N 1 0 346.540 4.495 50 0 EIAARO Cc1ccccc1C[NH+]1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000011879230 211262100 /nfs/dbraw/zinc/26/21/00/211262100.db2.gz GWMCLSGWWIWARH-UHFFFAOYSA-N 1 0 343.898 4.466 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000011852045 211259198 /nfs/dbraw/zinc/25/91/98/211259198.db2.gz ALSKJBPWZSRVLV-KZNAEPCWSA-N 1 0 336.479 4.133 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cccc2ncccc21 ZINC000011759697 211245065 /nfs/dbraw/zinc/24/50/65/211245065.db2.gz TXKZWFSQVSSSBT-QGZVFWFLSA-N 1 0 337.448 4.072 50 0 EIAARO Clc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2-c1ccccn1 ZINC000011668246 211233570 /nfs/dbraw/zinc/23/35/70/211233570.db2.gz BRZGPYZGYRKNEZ-QGZVFWFLSA-N 1 0 338.842 4.088 50 0 EIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1ccc(Cl)s1 ZINC000011092138 211203864 /nfs/dbraw/zinc/20/38/64/211203864.db2.gz MCDIOADBHYCTEQ-UHFFFAOYSA-N 1 0 331.872 4.494 50 0 EIAARO c1csc([C@@H]2c3ccsc3CC[N@H+]2CCc2ccncc2)c1 ZINC000010909145 211193938 /nfs/dbraw/zinc/19/39/38/211193938.db2.gz YKLYQHAHXYLHEW-SFHVURJKSA-N 1 0 326.490 4.395 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1Cl ZINC000009992172 211139096 /nfs/dbraw/zinc/13/90/96/211139096.db2.gz LTMFMJXIPCBJIT-UHFFFAOYSA-N 1 0 346.833 4.005 50 0 EIAARO COc1ccc([C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009547866 211101409 /nfs/dbraw/zinc/10/14/09/211101409.db2.gz VAHZNFBZMLURDU-QUCCMNQESA-N 1 0 325.452 4.332 50 0 EIAARO CSc1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062836 211037500 /nfs/dbraw/zinc/03/75/00/211037500.db2.gz OPGFJYHWILXEKA-UHFFFAOYSA-N 1 0 340.492 4.259 50 0 EIAARO Cc1cc(F)ccc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000095360891 218294393 /nfs/dbraw/zinc/29/43/93/218294393.db2.gz RVWWFSQTMTUHRX-SIKLNZKXSA-N 1 0 338.470 4.231 50 0 EIAARO CC(C)CC[C@]1(CC[NH2+]C2CCN(C)CC2)CCO[C@H](C(C)C)C1 ZINC000008992492 211027875 /nfs/dbraw/zinc/02/78/75/211027875.db2.gz UOPPJLUPPAPMDX-SFTDATJTSA-N 1 0 338.580 4.318 50 0 EIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(F)cc1 ZINC000008863069 211012030 /nfs/dbraw/zinc/01/20/30/211012030.db2.gz ATAMWTRNRKPYTB-SFHVURJKSA-N 1 0 346.471 4.234 50 0 EIAARO Cc1ncsc1CC[N@@H+](C)[C@H](c1cccc(F)c1)c1ccccn1 ZINC000095399429 218332498 /nfs/dbraw/zinc/33/24/98/218332498.db2.gz HJCDCQXVHXAZCQ-LJQANCHMSA-N 1 0 341.455 4.250 50 0 EIAARO Cc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)o1 ZINC000095419407 218359644 /nfs/dbraw/zinc/35/96/44/218359644.db2.gz XZJJRNYRUBSTJE-CQSZACIVSA-N 1 0 346.858 4.197 50 0 EIAARO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1cccc(N2CCOC2=O)c1 ZINC000095421010 218361773 /nfs/dbraw/zinc/36/17/73/218361773.db2.gz XZFXTRAPJWMCCJ-GUYCJALGSA-N 1 0 342.464 4.433 50 0 EIAARO COc1ccc2c(c1)[C@H]([NH2+][C@H](c1ncccc1C)C(C)C)CCO2 ZINC000095422488 218364995 /nfs/dbraw/zinc/36/49/95/218364995.db2.gz QIVMZPLCSIVGGT-MJGOQNOKSA-N 1 0 326.440 4.209 50 0 EIAARO Cc1noc(C)c1CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000095423666 218366207 /nfs/dbraw/zinc/36/62/07/218366207.db2.gz GVHQHCLLGYCFSL-GOSISDBHSA-N 1 0 326.440 4.260 50 0 EIAARO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000095454746 218398627 /nfs/dbraw/zinc/39/86/27/218398627.db2.gz LTCUGAZLFMUJPV-GOSISDBHSA-N 1 0 334.847 4.122 50 0 EIAARO C[NH+](C)C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(Cl)cc1Cl ZINC000005573648 210491636 /nfs/dbraw/zinc/49/16/36/210491636.db2.gz ZUSLYFXPBPWQOH-NHYWBVRUSA-N 1 0 330.255 4.271 50 0 EIAARO CCOc1cc(C[NH3+])ccc1OCc1ccc(Cl)cc1Cl ZINC000005065048 210381556 /nfs/dbraw/zinc/38/15/56/210381556.db2.gz JTLRZROGMUWBAB-UHFFFAOYSA-N 1 0 326.223 4.430 50 0 EIAARO CC(C)(C)OC(=O)Nc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000097232000 219000004 /nfs/dbraw/zinc/00/00/04/219000004.db2.gz MJNSRTOJKIISKU-IAGOWNOFSA-N 1 0 331.460 4.072 50 0 EIAARO CC(C)(C)c1ccc(CC[C@H]2OC[C@H](C[NH+]3CCCCC3)O2)cc1 ZINC000000171796 258047787 /nfs/dbraw/zinc/04/77/87/258047787.db2.gz VVQPTNXUXFFVHA-PMACEKPBSA-N 1 0 331.500 4.144 50 0 EIAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)Nc2cccc(-c3ccco3)c2)C1 ZINC000299796215 258100531 /nfs/dbraw/zinc/10/05/31/258100531.db2.gz OFHALQJTKUNNEI-OAHLLOKOSA-N 1 0 339.439 4.037 50 0 EIAARO CSc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1 ZINC000055292123 132194876 /nfs/dbraw/zinc/19/48/76/132194876.db2.gz DHGQQCDEABDCNU-UHFFFAOYSA-N 1 0 326.509 4.348 50 0 EIAARO Cc1[nH]c2ccccc2c1C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000055543256 132195839 /nfs/dbraw/zinc/19/58/39/132195839.db2.gz XQLVZCDEIBELLA-UHFFFAOYSA-N 1 0 333.479 4.415 50 0 EIAARO C[NH2+]C[C@H]1CCN(C(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)C1 ZINC000178966930 522090823 /nfs/dbraw/zinc/09/08/23/522090823.db2.gz ZAUCAOFJQHERBM-CYBMUJFWSA-N 1 0 348.899 4.058 50 0 EIAARO O=C(NC1CC[NH+](Cc2ccc3ccccc3c2)CC1)c1ccccc1 ZINC000000087267 563220755 /nfs/dbraw/zinc/22/07/55/563220755.db2.gz OZECHSIEHKYJND-UHFFFAOYSA-N 1 0 344.458 4.234 50 0 EIAARO CCOc1ccccc1Nc1cc(C)[nH+]c2ccc(C(=O)OC)cc12 ZINC000000144072 563243608 /nfs/dbraw/zinc/24/36/08/563243608.db2.gz ADEONPFBEMWJTM-UHFFFAOYSA-N 1 0 336.391 4.472 50 0 EIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000214513 563262000 /nfs/dbraw/zinc/26/20/00/563262000.db2.gz QTCXPIHNELNGIN-ZDUSSCGKSA-N 1 0 343.298 4.074 50 0 EIAARO Cc1ccc(-c2nnc(OCC[NH+]3CCCCC3)c3ccccc32)cc1 ZINC000000477332 563335098 /nfs/dbraw/zinc/33/50/98/563335098.db2.gz JPCZNGMORKNXKV-UHFFFAOYSA-N 1 0 347.462 4.470 50 0 EIAARO C[C@H](O)C[N@H+](C)CC/C=C1/c2ccccc2CSc2ccccc21 ZINC000000968657 563366294 /nfs/dbraw/zinc/36/62/94/563366294.db2.gz RZTBVIDBPCDVPL-YLRSXTQRSA-N 1 0 339.504 4.427 50 0 EIAARO O=C(c1ccc(C[NH+]2CC=CC2)cc1)c1cccc(Br)c1 ZINC000002514893 563435633 /nfs/dbraw/zinc/43/56/33/563435633.db2.gz HGQZFGHKTRBOMN-UHFFFAOYSA-N 1 0 342.236 4.052 50 0 EIAARO CCc1ccc(N(C(C)=O)C2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000034683070 563450901 /nfs/dbraw/zinc/45/09/01/563450901.db2.gz JQEHGLLYVFPWDB-UHFFFAOYSA-N 1 0 342.508 4.328 50 0 EIAARO CC[NH+](CC)CCCCOc1ccc(C(=O)c2ccccc2)cc1 ZINC000003003759 563469510 /nfs/dbraw/zinc/46/95/10/563469510.db2.gz GWSRIUFFKGTYNR-UHFFFAOYSA-N 1 0 325.452 4.418 50 0 EIAARO C[C@@H]1CCCC[N@@H+]1CCCCOc1ccccc1Br ZINC000006183146 563560640 /nfs/dbraw/zinc/56/06/40/563560640.db2.gz MXCILNRXBYPLIP-CQSZACIVSA-N 1 0 326.278 4.483 50 0 EIAARO COc1ccc(NC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000006742630 563584578 /nfs/dbraw/zinc/58/45/78/563584578.db2.gz BQNKRBKRVGLUPE-UHFFFAOYSA-N 1 0 339.439 4.325 50 0 EIAARO CCCC[NH+](CCCC)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000002665518 563601112 /nfs/dbraw/zinc/60/11/12/563601112.db2.gz UVHTXGIKEBXGSW-HXUWFJFHSA-N 1 0 329.484 4.482 50 0 EIAARO Cc1c([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2)cnn1-c1cccc(F)c1 ZINC000012613315 563665423 /nfs/dbraw/zinc/66/54/23/563665423.db2.gz XQPGQISYTKQIEZ-GFCCVEGCSA-N 1 0 345.368 4.449 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Cl)c1 ZINC000013002476 563684783 /nfs/dbraw/zinc/68/47/83/563684783.db2.gz CXLHMEOHLRHYMJ-UHFFFAOYSA-N 1 0 342.870 4.256 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc2ncccc21)c1ccccc1 ZINC000032903430 563789207 /nfs/dbraw/zinc/78/92/07/563789207.db2.gz WJROYKTVQGJCMD-NRFANRHFSA-N 1 0 347.462 4.048 50 0 EIAARO COc1ccc(C[N@H+](C)Cc2cc(=O)oc3c(C)c(C)ccc23)cc1 ZINC000016554427 563814818 /nfs/dbraw/zinc/81/48/18/563814818.db2.gz IRQWNRHSMVJISV-UHFFFAOYSA-N 1 0 337.419 4.050 50 0 EIAARO Cc1c(Cl)cccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043174700 563857573 /nfs/dbraw/zinc/85/75/73/563857573.db2.gz SMVHZZFXXXZFAC-CQSZACIVSA-N 1 0 337.876 4.134 50 0 EIAARO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCN(c2cccc(Cl)c2)CC1 ZINC000020535878 563859436 /nfs/dbraw/zinc/85/94/36/563859436.db2.gz LUMVIHUIJWMMDI-HNNXBMFYSA-N 1 0 338.923 4.228 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)sc1Cl)c1ccsc1 ZINC000025330589 563883767 /nfs/dbraw/zinc/88/37/67/563883767.db2.gz CNDDWXDRBXQTTR-SNVBAGLBSA-N 1 0 349.308 4.149 50 0 EIAARO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000026925076 563894159 /nfs/dbraw/zinc/89/41/59/563894159.db2.gz IMAQKGOLDAOMPC-MRXNPFEDSA-N 1 0 348.446 4.405 50 0 EIAARO COc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222469 563894891 /nfs/dbraw/zinc/89/48/91/563894891.db2.gz NTWGNJQSJZFTTJ-FQEVSTJZSA-N 1 0 347.462 4.107 50 0 EIAARO Cc1ccccc1C[NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222450 563894898 /nfs/dbraw/zinc/89/48/98/563894898.db2.gz FNHPKSWLKADVRY-OAQYLSRUSA-N 1 0 331.463 4.407 50 0 EIAARO CC(C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCCC1 ZINC000027582791 563897164 /nfs/dbraw/zinc/89/71/64/563897164.db2.gz FUHNXFAVYLKWQY-GOSISDBHSA-N 1 0 336.907 4.419 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000027581854 563897175 /nfs/dbraw/zinc/89/71/75/563897175.db2.gz QGWYPPTWVMZQIY-HXUWFJFHSA-N 1 0 340.442 4.091 50 0 EIAARO Cc1ccc([C@@H](CNC(=O)c2ccccc2)[NH+]2CCCCCC2)cc1 ZINC000027662481 563898149 /nfs/dbraw/zinc/89/81/49/563898149.db2.gz VMOGOPIFUCAPFH-OAQYLSRUSA-N 1 0 336.479 4.342 50 0 EIAARO O=C(Cc1ccccc1)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000027741453 563899362 /nfs/dbraw/zinc/89/93/62/563899362.db2.gz GNPFJUQLKIGQJV-SFHVURJKSA-N 1 0 342.508 4.024 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C)c2c1cccc2Cl ZINC000028296753 563902291 /nfs/dbraw/zinc/90/22/91/563902291.db2.gz ZBMWXQGMDJSFMW-NRXGSXMXSA-N 1 0 348.918 4.441 50 0 EIAARO CC[N@H+](CC(=O)Nc1ccccc1Sc1ccccc1)C1CC1 ZINC000029912090 563908906 /nfs/dbraw/zinc/90/89/06/563908906.db2.gz UKYPKIYTVVGTSK-UHFFFAOYSA-N 1 0 326.465 4.261 50 0 EIAARO O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CCc2ccccc21 ZINC000030946970 563911901 /nfs/dbraw/zinc/91/19/01/563911901.db2.gz DTQJNJJPXDFINW-UHFFFAOYSA-N 1 0 334.463 4.266 50 0 EIAARO CCOC(=O)CCCCCCC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000043211179 563925381 /nfs/dbraw/zinc/92/53/81/563925381.db2.gz PMCRXLOCZBZYQX-UHFFFAOYSA-N 1 0 345.483 4.369 50 0 EIAARO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000058345327 563943260 /nfs/dbraw/zinc/94/32/60/563943260.db2.gz VLOQQAOSZMHKHR-BEFAXECRSA-N 1 0 342.870 4.182 50 0 EIAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2ccccc2)CC1 ZINC000058366634 563943841 /nfs/dbraw/zinc/94/38/41/563943841.db2.gz MSFYUHYDKWPKIO-QFIPXVFZSA-N 1 0 348.490 4.057 50 0 EIAARO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000058424068 563945898 /nfs/dbraw/zinc/94/58/98/563945898.db2.gz WDPPDHWKBUEPGW-NRFANRHFSA-N 1 0 347.462 4.088 50 0 EIAARO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)c1 ZINC000058424070 563945920 /nfs/dbraw/zinc/94/59/20/563945920.db2.gz WDPPDHWKBUEPGW-OAQYLSRUSA-N 1 0 347.462 4.088 50 0 EIAARO FC(F)(F)COCCC[NH+]1CCC(c2cc3ccccc3[nH]2)CC1 ZINC000058426050 563946019 /nfs/dbraw/zinc/94/60/19/563946019.db2.gz JICHOHLKROCBOD-UHFFFAOYSA-N 1 0 340.389 4.316 50 0 EIAARO Cc1cccc(C(C)C)c1NC(=O)C[NH2+]Cc1cnc2ccccc2c1 ZINC000065397195 563959770 /nfs/dbraw/zinc/95/97/70/563959770.db2.gz OHDBMFRHBLFKJC-UHFFFAOYSA-N 1 0 347.462 4.395 50 0 EIAARO CNc1ncc(-c2ccccc2C[NH+](C)C)c(-c2ccc(C)cc2)n1 ZINC000065497564 563961580 /nfs/dbraw/zinc/96/15/80/563961580.db2.gz OGWIVKGYFHKWAR-UHFFFAOYSA-N 1 0 332.451 4.222 50 0 EIAARO CCc1nccc(C[N@@H+]2CCC[C@@H](CCc3c(F)cccc3F)C2)n1 ZINC000071758810 563965325 /nfs/dbraw/zinc/96/53/25/563965325.db2.gz COSSIWMQLOQEEY-HNNXBMFYSA-N 1 0 345.437 4.162 50 0 EIAARO CC(C)[C@H]1CN(Cc2ccc3[nH]ccc3c2)CCC[N@@H+]1CC1CC1 ZINC000071764837 563965491 /nfs/dbraw/zinc/96/54/91/563965491.db2.gz OMFZPDGVZFBBLT-OAQYLSRUSA-N 1 0 325.500 4.110 50 0 EIAARO Cc1ncc([C@H](C)[NH2+][C@@H]2CCCc3cc(OC(F)F)ccc32)c(C)n1 ZINC000097016664 563966790 /nfs/dbraw/zinc/96/67/90/563966790.db2.gz LOSCESVVOJVBIJ-KPZWWZAWSA-N 1 0 347.409 4.423 50 0 EIAARO Cc1ccc([C@@H](C)CC[N@H+](C)Cc2cc(-c3cccnc3)no2)o1 ZINC000077354712 563969146 /nfs/dbraw/zinc/96/91/46/563969146.db2.gz YFJUIGBUUQFECM-AWEZNQCLSA-N 1 0 325.412 4.264 50 0 EIAARO Cc1cc(Cl)cc(Cl)c1OCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016247513 563976199 /nfs/dbraw/zinc/97/61/99/563976199.db2.gz PSZZCODPUZXXGE-BETUJISGSA-N 1 0 332.271 4.180 50 0 EIAARO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000095956258 563977830 /nfs/dbraw/zinc/97/78/30/563977830.db2.gz YRUPNZVGOTVTLI-FQEVSTJZSA-N 1 0 330.431 4.209 50 0 EIAARO Cc1cccc(C)c1NC(=S)N(CC[NH+](C)C)Cc1cccs1 ZINC000000212630 563988524 /nfs/dbraw/zinc/98/85/24/563988524.db2.gz YWMOOGZLZREJIF-UHFFFAOYSA-N 1 0 347.553 4.126 50 0 EIAARO C[C@H](c1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1)[NH+]1CCCC1 ZINC000426552382 563996319 /nfs/dbraw/zinc/99/63/19/563996319.db2.gz UYAIXCDGKAKBSO-OAHLLOKOSA-N 1 0 335.451 4.488 50 0 EIAARO Cc1[nH]c2ccccc2c1[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000005163998 563996512 /nfs/dbraw/zinc/99/65/12/563996512.db2.gz WXLYJHGMWISTGO-QFIPXVFZSA-N 1 0 348.490 4.464 50 0 EIAARO CC(C)c1noc([C@H](C)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000252536906 563997914 /nfs/dbraw/zinc/99/79/14/563997914.db2.gz JTCSSKWSNMLIMV-FUHWJXTLSA-N 1 0 344.503 4.000 50 0 EIAARO OC1CC[NH+](C[C@@H]2Sc3ccccc3Oc3ccccc32)CC1 ZINC000005648368 564006951 /nfs/dbraw/zinc/00/69/51/564006951.db2.gz XJGHCBKXQYOZKI-IBGZPJMESA-N 1 0 327.449 4.082 50 0 EIAARO COc1ccc(C[NH2+]Cc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000017310356 564011580 /nfs/dbraw/zinc/01/15/80/564011580.db2.gz VCHBBSJAFMCNFY-UHFFFAOYSA-N 1 0 349.478 4.155 50 0 EIAARO Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2Cl)cs1 ZINC000189807033 564016487 /nfs/dbraw/zinc/01/64/87/564016487.db2.gz INCXCKGMQIEWRZ-MRXNPFEDSA-N 1 0 349.887 4.271 50 0 EIAARO NNc1[nH+]c(-c2ccccc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000000492588 564017656 /nfs/dbraw/zinc/01/76/56/564017656.db2.gz OBOVHTIPZKAFNS-UHFFFAOYSA-N 1 0 342.446 4.464 50 0 EIAARO Cc1noc([C@H](C)[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000044585377 564027032 /nfs/dbraw/zinc/02/70/32/564027032.db2.gz MTLXDKGOZYFZRO-KBXCAEBGSA-N 1 0 346.434 4.342 50 0 EIAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000044857410 564027189 /nfs/dbraw/zinc/02/71/89/564027189.db2.gz LPRLPJGMYKIRJW-GOEBONIOSA-N 1 0 348.512 4.213 50 0 EIAARO C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)c1cccc2ccccc21 ZINC000048681903 564032031 /nfs/dbraw/zinc/03/20/31/564032031.db2.gz SOOINOOFOWWROC-INIZCTEOSA-N 1 0 332.451 4.081 50 0 EIAARO Cn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccccc1Cl ZINC000000819140 564035213 /nfs/dbraw/zinc/03/52/13/564035213.db2.gz GFEYXUJSCXPUGN-UHFFFAOYSA-N 1 0 341.798 4.081 50 0 EIAARO O=C(Nc1cccc(C[NH2+]C2CC2)c1)c1ccc(Cl)cc1Cl ZINC000026303419 564039673 /nfs/dbraw/zinc/03/96/73/564039673.db2.gz YKRPBWZVZQWZEA-UHFFFAOYSA-N 1 0 335.234 4.498 50 0 EIAARO COc1ccc2cc(C[NH2+][C@H](CN(C)C)c3ccccc3)ccc2c1 ZINC000028316805 564045919 /nfs/dbraw/zinc/04/59/19/564045919.db2.gz CJPOUODQWCFDSQ-JOCHJYFZSA-N 1 0 334.463 4.241 50 0 EIAARO CC(C)CC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248236609 564053076 /nfs/dbraw/zinc/05/30/76/564053076.db2.gz CKENADHPRUWBBQ-UHFFFAOYSA-N 1 0 334.467 4.129 50 0 EIAARO CC[C@H](C)[NH2+]Cc1nn(Cc2ccccc2C)nc1-c1ccccc1 ZINC000248173551 564053097 /nfs/dbraw/zinc/05/30/97/564053097.db2.gz XWVOYSMDMYBGGV-KRWDZBQOSA-N 1 0 334.467 4.190 50 0 EIAARO C[C@@H](CO)C[N@H+](Cc1cc(C2CCCCC2)no1)Cc1ccccc1 ZINC000252491944 564053485 /nfs/dbraw/zinc/05/34/85/564053485.db2.gz MABQOHKMIVRYPL-QGZVFWFLSA-N 1 0 342.483 4.353 50 0 EIAARO CCOc1cc(C[NH2+][C@H]2CCOc3ccccc32)cc(Cl)c1OC ZINC000025357404 564054234 /nfs/dbraw/zinc/05/42/34/564054234.db2.gz OFAVBWMVKJHYQT-INIZCTEOSA-N 1 0 347.842 4.361 50 0 EIAARO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CCCC(C)(C)C4)[C@H]3C=C12 ZINC000005903517 564056848 /nfs/dbraw/zinc/05/68/48/564056848.db2.gz MWMPYXXDHZQTTO-ZRAXVTTISA-N 1 0 343.511 4.343 50 0 biogenic EIAARO COc1ccc(NC(=O)[C@H]([NH2+]CC(C)C)c2ccccc2)cc1Cl ZINC000003281101 564058969 /nfs/dbraw/zinc/05/89/69/564058969.db2.gz RBXRGENTOVGZCS-GOSISDBHSA-N 1 0 346.858 4.274 50 0 EIAARO CC(C)(C)n1c[n+](-c2ccc(F)cc2)c(-c2ccccc2Cl)n1 ZINC000012551143 564059147 /nfs/dbraw/zinc/05/91/47/564059147.db2.gz XCAJBKQFVQZEFJ-UHFFFAOYSA-N 1 0 330.814 4.374 50 0 EIAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(F)cc1Cl ZINC000012553165 564059228 /nfs/dbraw/zinc/05/92/28/564059228.db2.gz DZPQCKKIYSLPAB-ZBEGNZNMSA-N 1 0 332.806 4.083 50 0 EIAARO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000063546501 564072483 /nfs/dbraw/zinc/07/24/83/564072483.db2.gz HNJYBQKKRWYLRQ-IRLDBZIGSA-N 1 0 331.463 4.194 50 0 EIAARO CC(=O)N1CC[C@H](Nc2cc[nH+]c3ccccc23)c2ccc(F)cc2C1 ZINC000185251310 564073352 /nfs/dbraw/zinc/07/33/52/564073352.db2.gz IDDAEFXFKNYPRF-NRFANRHFSA-N 1 0 349.409 4.279 50 0 EIAARO CC(C)CC(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000015863698 564077121 /nfs/dbraw/zinc/07/71/21/564077121.db2.gz JARKYFDZODHIEL-UHFFFAOYSA-N 1 0 335.451 4.343 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000012922759 564078426 /nfs/dbraw/zinc/07/84/26/564078426.db2.gz NEMDARSPMGQNQX-SUMWQHHRSA-N 1 0 328.843 4.253 50 0 EIAARO CC[NH+](CC)[C@H](C(=O)Nc1cccc2cccnc21)c1ccccc1 ZINC000075108845 564080253 /nfs/dbraw/zinc/08/02/53/564080253.db2.gz XEBJYUPNIQNLSF-FQEVSTJZSA-N 1 0 333.435 4.256 50 0 EIAARO Cc1cc(C(=O)NC[C@H](c2csc3ccccc32)[NH+](C)C)c(C)o1 ZINC000575619451 564083803 /nfs/dbraw/zinc/08/38/03/564083803.db2.gz FOFDORVYADDDAK-QGZVFWFLSA-N 1 0 342.464 4.144 50 0 EIAARO C[N@@H+]1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 ZINC000000156931 564086100 /nfs/dbraw/zinc/08/61/00/564086100.db2.gz MXYUKLILVYORSK-QHAWAJNXSA-N 1 0 337.463 4.236 50 0 in-vitro EIAARO CCc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1 ZINC000239415235 564088126 /nfs/dbraw/zinc/08/81/26/564088126.db2.gz UAPMFWFLFBRFLV-VXKWHMMOSA-N 1 0 326.528 4.478 50 0 EIAARO CC(=O)c1cccc(NC(=O)[C@@H]([NH2+]C2CCCC2)c2ccccc2)c1 ZINC000006552489 564091935 /nfs/dbraw/zinc/09/19/35/564091935.db2.gz OWIGBOWNLMZDBC-FQEVSTJZSA-N 1 0 336.435 4.101 50 0 EIAARO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCCn1ccnc1 ZINC000089562803 564092858 /nfs/dbraw/zinc/09/28/58/564092858.db2.gz HKHCHUJBOAYZNF-CQSZACIVSA-N 1 0 326.469 4.056 50 0 EIAARO CCCN(Cc1ccc(Cl)cc1)c1cc([C@H]2CCOC2)nc(C)n1 ZINC000426370521 564093524 /nfs/dbraw/zinc/09/35/24/564093524.db2.gz MREZCWRAOSHMSE-INIZCTEOSA-N 1 0 345.874 4.359 50 0 EIAARO COc1nc2ccccc2cc1-c1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000426380716 564093545 /nfs/dbraw/zinc/09/35/45/564093545.db2.gz UATORSPPHQDCEP-INIZCTEOSA-N 1 0 348.446 4.304 50 0 EIAARO C[C@@H](c1ccc(-c2ccc(-c3nccn3C)nn2)cc1)[NH+]1CCCCC1 ZINC000426379763 564093553 /nfs/dbraw/zinc/09/35/53/564093553.db2.gz PICZOVYJLIEMIR-INIZCTEOSA-N 1 0 347.466 4.091 50 0 EIAARO COc1cccc(OCCC[N@@H+]2CCCC[C@@H]2c2cccnc2)c1 ZINC000006624523 564094646 /nfs/dbraw/zinc/09/46/46/564094646.db2.gz BIJAOTQPTHIZPE-HXUWFJFHSA-N 1 0 326.440 4.086 50 0 biogenic EIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@H](O)COCc2ccco2)c1 ZINC000036100709 564096156 /nfs/dbraw/zinc/09/61/56/564096156.db2.gz OTAJJCAZQPBZOB-FQEVSTJZSA-N 1 0 345.483 4.014 50 0 EIAARO COc1ccc(CC[NH2+]CC[C@H](c2ccco2)C(C)C)cc1OC ZINC000006760423 564097291 /nfs/dbraw/zinc/09/72/91/564097291.db2.gz ZKBZPCVDEXRTNM-KRWDZBQOSA-N 1 0 331.456 4.259 50 0 EIAARO Cc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000006787585 564097775 /nfs/dbraw/zinc/09/77/75/564097775.db2.gz YWWVEWHFOWZCFC-GFCCVEGCSA-N 1 0 337.250 4.419 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1C ZINC000169679114 564098130 /nfs/dbraw/zinc/09/81/30/564098130.db2.gz VZFACIPARFSTJV-FUHWJXTLSA-N 1 0 333.497 4.097 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000169681699 564098211 /nfs/dbraw/zinc/09/82/11/564098211.db2.gz LDZTXYQMLZPBLL-UYAOXDASSA-N 1 0 327.468 4.035 50 0 EIAARO c1ccc2nc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)ccc2c1 ZINC000007216111 564105803 /nfs/dbraw/zinc/10/58/03/564105803.db2.gz DKRFGJUMHHDHMM-HXUWFJFHSA-N 1 0 346.430 4.343 50 0 EIAARO CCC[N@H+](Cc1ccc2ncccc2c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000170591376 564108766 /nfs/dbraw/zinc/10/87/66/564108766.db2.gz LAVSSFRRWSDJNX-QGZVFWFLSA-N 1 0 347.462 4.474 50 0 EIAARO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH2+][C@H]2CCCc3ccccc32)c1C ZINC000007546175 564110309 /nfs/dbraw/zinc/11/03/09/564110309.db2.gz RJVYRMJVTMHWHI-KDOFPFPSSA-N 1 0 338.451 4.073 50 0 EIAARO Cc1nc(-c2cccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)c2)n[nH]1 ZINC000089796211 564113867 /nfs/dbraw/zinc/11/38/67/564113867.db2.gz YLDOKVSOYMWOPG-UHFFFAOYSA-N 1 0 347.249 4.377 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]CCSc2ccccc2)cc1NC(C)=O ZINC000089904731 564114999 /nfs/dbraw/zinc/11/49/99/564114999.db2.gz OIGRYFKGGOCXFB-CQSZACIVSA-N 1 0 344.480 4.097 50 0 EIAARO C[N@H+](CCCOc1ccccc1Br)Cc1ccccc1 ZINC000002824836 564117040 /nfs/dbraw/zinc/11/70/40/564117040.db2.gz OOTHRCRQEJHQDV-UHFFFAOYSA-N 1 0 334.257 4.350 50 0 EIAARO Clc1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000007590617 564117998 /nfs/dbraw/zinc/11/79/98/564117998.db2.gz BSYRCJUYJNQRAO-DZGCQCFKSA-N 1 0 331.847 4.402 50 0 EIAARO Cc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222427 564119312 /nfs/dbraw/zinc/11/93/12/564119312.db2.gz KKBHQDLLWJRBJL-OAQYLSRUSA-N 1 0 331.463 4.407 50 0 EIAARO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cc(Cl)cs1 ZINC000194429730 564120500 /nfs/dbraw/zinc/12/05/00/564120500.db2.gz SXRANUOJLBQLQR-PRWKNARSSA-N 1 0 327.902 4.332 50 0 EIAARO C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000007878214 564124277 /nfs/dbraw/zinc/12/42/77/564124277.db2.gz YKIGMHKBGXSQRH-SNVBAGLBSA-N 1 0 338.835 4.098 50 0 EIAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1C ZINC000022860406 564129119 /nfs/dbraw/zinc/12/91/19/564129119.db2.gz JBVBLQNLYNAOND-RBBKRZOGSA-N 1 0 342.527 4.233 50 0 EIAARO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)[nH]1 ZINC000355173125 564133947 /nfs/dbraw/zinc/13/39/47/564133947.db2.gz JADOKJXIZHFFKH-HXUWFJFHSA-N 1 0 332.451 4.160 50 0 EIAARO COCc1cc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1F ZINC000095422709 564140088 /nfs/dbraw/zinc/14/00/88/564140088.db2.gz CMUMKEJVHOUKNZ-HNNXBMFYSA-N 1 0 339.414 4.009 50 0 EIAARO CC(C)[C@@H]1C[C@@H](Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CS1 ZINC000331380853 564140532 /nfs/dbraw/zinc/14/05/32/564140532.db2.gz IQQKRJCOWHHCOJ-KURKYZTESA-N 1 0 347.528 4.128 50 0 EIAARO CCOc1cccc2cc([C@H](C)[NH2+]CC3([C@H](O)C(C)C)CC3)oc21 ZINC000095463506 564140924 /nfs/dbraw/zinc/14/09/24/564140924.db2.gz VXEZLIGFOPPMRK-IFXJQAMLSA-N 1 0 331.456 4.279 50 0 EIAARO O[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)Cc2ccccc21 ZINC000095466724 564141069 /nfs/dbraw/zinc/14/10/69/564141069.db2.gz CYPBDSLQOXMBSM-LJQANCHMSA-N 1 0 331.843 4.048 50 0 EIAARO Cc1ccc(C[NH2+][C@H](C)c2cccs2)c(OC[C@H]2CCOC2)c1 ZINC000095969172 564143400 /nfs/dbraw/zinc/14/34/00/564143400.db2.gz IQBBDRXDGINPRJ-CVEARBPZSA-N 1 0 331.481 4.323 50 0 EIAARO CCc1noc(C2CCC([NH2+][C@H]3C[C@H](C)c4ccccc43)CC2)n1 ZINC000095996912 564144280 /nfs/dbraw/zinc/14/42/80/564144280.db2.gz DXZNTCNRZUVPMM-HKLFFYFNSA-N 1 0 325.456 4.496 50 0 EIAARO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2cc(C)oc2C)o1 ZINC000225549352 564149686 /nfs/dbraw/zinc/14/96/86/564149686.db2.gz BAXFOZYYYZSFLH-HUUCEWRRSA-N 1 0 335.473 4.100 50 0 EIAARO COC[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000225634569 564150054 /nfs/dbraw/zinc/15/00/54/564150054.db2.gz AWIJRQAEDGCWHS-LJQANCHMSA-N 1 0 340.398 4.001 50 0 EIAARO CC[NH+](CC)CCC[C@H](C)NC(=O)CSc1ccccc1Cl ZINC000057157007 564153373 /nfs/dbraw/zinc/15/33/73/564153373.db2.gz OZMKTSNKGWSPIU-AWEZNQCLSA-N 1 0 342.936 4.059 50 0 EIAARO COc1ccc([C@@H]2CCCCCN2Cc2nc(C3CC3)no2)cc1 ZINC000029455624 564153436 /nfs/dbraw/zinc/15/34/36/564153436.db2.gz YEMNINSYIBZUPT-KRWDZBQOSA-N 1 0 327.428 4.073 50 0 EIAARO CCc1ccc2c(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)cc(=O)oc2c1 ZINC000057331993 564153565 /nfs/dbraw/zinc/15/35/65/564153565.db2.gz RQLCJMXCMZBSRP-CQSZACIVSA-N 1 0 339.357 4.130 50 0 EIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cc(C)ccc2C)CC1 ZINC000003060196 564154817 /nfs/dbraw/zinc/15/48/17/564154817.db2.gz BCXNMLDNLMGDRA-MRXNPFEDSA-N 1 0 333.545 4.195 50 0 EIAARO Cc1c(O)ccc2c(C[N@@H+]3CCC[C@@H]3c3ccccc3)cc(=O)oc12 ZINC000057536119 564154865 /nfs/dbraw/zinc/15/48/65/564154865.db2.gz ALNZQUPDMFFBHN-GOSISDBHSA-N 1 0 335.403 4.144 50 0 EIAARO Cc1cc2nnc(SCC[C@@H]3CCCC[N@H+]3C)n2c2ccccc12 ZINC000057745378 564155638 /nfs/dbraw/zinc/15/56/38/564155638.db2.gz SIQZKMNHYKEJPH-HNNXBMFYSA-N 1 0 340.496 4.157 50 0 EIAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@H]1c1ccccn1)CO2 ZINC000670460435 564161058 /nfs/dbraw/zinc/16/10/58/564161058.db2.gz GGYCKLCUIBTGDW-FQEVSTJZSA-N 1 0 336.435 4.093 50 0 EIAARO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[NH+]1CCCC1 ZINC000008572503 564165802 /nfs/dbraw/zinc/16/58/02/564165802.db2.gz LVHWEBTWIARMFY-UHFFFAOYSA-N 1 0 348.446 4.424 50 0 EIAARO CC(C)n1cc([C@H](C)[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)cn1 ZINC000245289842 564169005 /nfs/dbraw/zinc/16/90/05/564169005.db2.gz FMSNPGKCZILYJI-TXPKVOOTSA-N 1 0 346.544 4.259 50 0 EIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)Nc1cccc(C)c1 ZINC000069460711 564169701 /nfs/dbraw/zinc/16/97/01/564169701.db2.gz MZPWVJJAXPBTKB-ICSRJNTNSA-N 1 0 335.451 4.143 50 0 EIAARO c1sc2ccccc2c1C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000069710800 564171758 /nfs/dbraw/zinc/17/17/58/564171758.db2.gz LMTWGAKCDREOPC-UHFFFAOYSA-N 1 0 337.492 4.051 50 0 EIAARO CC(C)[N@H+](Cc1cnc(C2OCCO2)s1)[C@H](C)c1ccccc1 ZINC000292882773 1022595032 /nfs/dbraw/zinc/59/50/32/1022595032.db2.gz XZZDXUFDCYHYRA-CQSZACIVSA-N 1 0 332.469 4.160 50 0 EIAARO Cc1nc([C@@H]2CC23CC[NH+](Cc2c(C)cc(C)cc2C)CC3)no1 ZINC000257186508 1022701025 /nfs/dbraw/zinc/70/10/25/1022701025.db2.gz KMUVAJABCCKIOS-SFHVURJKSA-N 1 0 325.456 4.073 50 0 EIAARO COc1ccccc1/C=C/C[N@@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000097165663 1023827381 /nfs/dbraw/zinc/82/73/81/1023827381.db2.gz HWYBKNUWWAXZSI-FNORWQNLSA-N 1 0 339.435 4.087 50 0 EIAARO C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000195409456 1025901049 /nfs/dbraw/zinc/90/10/49/1025901049.db2.gz JNDSKGCNYCJSBJ-OAHLLOKOSA-N 1 0 328.500 4.036 50 0 EIAARO Cc1ccsc1C[N@H+]1CCCCCCN(C)C(=O)[C@@H]2CCC[C@@H]21 ZINC000257180373 1036242196 /nfs/dbraw/zinc/24/21/96/1036242196.db2.gz KRNGXSLHWFAEMM-SJORKVTESA-N 1 0 334.529 4.060 50 0 EIAARO CC(C)[N@@H+]1CC[C@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000169785090 1036336684 /nfs/dbraw/zinc/33/66/84/1036336684.db2.gz YKJVAJAUGVSQAK-KRWDZBQOSA-N 1 0 349.434 4.265 50 0 EIAARO CCCCC(=O)N1CCC2(C[N@H+](C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257188009 1036350629 /nfs/dbraw/zinc/35/06/29/1036350629.db2.gz CZGVAFDWRLSWMZ-HXUWFJFHSA-N 1 0 328.500 4.251 50 0 EIAARO c1cc2c(o1)CCC[N@@H+](Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000344234976 1039857251 /nfs/dbraw/zinc/85/72/51/1039857251.db2.gz JWWJEDTUYLHONX-UHFFFAOYSA-N 1 0 334.419 4.202 50 0 EIAARO Cc1cccc(-n2nc(C3CC3)nc2-c2ccc(C[NH+](C)C)o2)c1C ZINC000823709328 1044311279 /nfs/dbraw/zinc/31/12/79/1044311279.db2.gz ZCYZSQQTYUHWJM-UHFFFAOYSA-N 1 0 336.439 4.083 50 0 EIAARO Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000375266687 1045218201 /nfs/dbraw/zinc/21/82/01/1045218201.db2.gz GPHRMJWMVCCIJV-KRWDZBQOSA-N 1 0 345.874 4.185 50 0 EIAARO C/C=C\c1ccc(OC[C@H](O)C[NH2+]C2CCCCCCC2)c(OC)c1 ZINC000033466874 1047315636 /nfs/dbraw/zinc/31/56/36/1047315636.db2.gz PVKOOOTYOQGUQP-KFILLSGMSA-N 1 0 347.499 4.171 50 0 EIAARO O[C@]12CCCC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000043155972 1049007313 /nfs/dbraw/zinc/00/73/13/1049007313.db2.gz XSKNHOKETLLVAN-FKBYEOEOSA-N 1 0 337.463 4.221 50 0 EIAARO CCc1ccc(C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)cn1 ZINC000512011275 1049646971 /nfs/dbraw/zinc/64/69/71/1049646971.db2.gz YOWAPJJPNSARFQ-CQSZACIVSA-N 1 0 328.431 4.423 50 0 EIAARO COc1cc([C@@H](C)[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)ccn1 ZINC000952845220 1049676657 /nfs/dbraw/zinc/67/66/57/1049676657.db2.gz GUCQCPTXNUGLOR-CQSZACIVSA-N 1 0 345.874 4.063 50 0 EIAARO COc1ccc(/C=C/C[NH+]2CCC([C@@H](O)c3cccs3)CC2)cc1 ZINC000952980993 1049684183 /nfs/dbraw/zinc/68/41/83/1049684183.db2.gz NAAKOSNVSHCTHJ-WLMDGNKMSA-N 1 0 343.492 4.216 50 0 EIAARO Cc1ccc(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)s1 ZINC000952967219 1049687210 /nfs/dbraw/zinc/68/72/10/1049687210.db2.gz YUNJEFIQHCDVHI-UHFFFAOYSA-N 1 0 343.521 4.379 50 0 EIAARO CC[C@H](c1ccccn1)N(C)Cc1cc(OC)c(SC)cc1OC ZINC000952992055 1049689815 /nfs/dbraw/zinc/68/98/15/1049689815.db2.gz YQKLFRASUVTRMP-MRXNPFEDSA-N 1 0 346.496 4.404 50 0 EIAARO COC[C@H](C)N(Cc1ccccc1C)Cc1c(F)ccc(OC)c1F ZINC000952991120 1049692887 /nfs/dbraw/zinc/69/28/87/1049692887.db2.gz ZKLNDJMSEGAMBM-HNNXBMFYSA-N 1 0 349.421 4.319 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1cccc2cccnc21 ZINC000047452364 1051716715 /nfs/dbraw/zinc/71/67/15/1051716715.db2.gz NFXXARWRQYTPCV-UHFFFAOYSA-N 1 0 331.419 4.083 50 0 EIAARO Fc1ccc2nc([C@H]3CCC[N@H+](Cc4ncccc4Cl)C3)oc2c1 ZINC000528421200 1053816283 /nfs/dbraw/zinc/81/62/83/1053816283.db2.gz PAUQQXVTOOXOKU-LBPRGKRZSA-N 1 0 345.805 4.395 50 0 EIAARO CC[N@@H+]1CCC[C@@H](c2c(-c3ccccc3)ncn2Cc2cccnc2)C1 ZINC000065420143 1059904937 /nfs/dbraw/zinc/90/49/37/1059904937.db2.gz KUSXIZGRJXDTMP-HXUWFJFHSA-N 1 0 346.478 4.193 50 0 EIAARO Cc1cnc(-c2cccnc2)n1CC1CC[NH+](Cc2ccccc2)CC1 ZINC000581808696 1060020535 /nfs/dbraw/zinc/02/05/35/1060020535.db2.gz XRUFLKWSLGTJTD-UHFFFAOYSA-N 1 0 346.478 4.166 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C1CCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000581808848 1060020637 /nfs/dbraw/zinc/02/06/37/1060020637.db2.gz SLAULDFNCJMTGZ-MRXNPFEDSA-N 1 0 337.467 4.036 50 0 EIAARO Cc1c[nH+]c(C2CCC2)n1CC1CCN(C(=O)C2CCCCC2)CC1 ZINC000581808668 1060021430 /nfs/dbraw/zinc/02/14/30/1060021430.db2.gz WNPJVPMTJZRMNX-UHFFFAOYSA-N 1 0 343.515 4.278 50 0 EIAARO Cc1ccc2c(C[N@H+]3CC=C(c4ccc(O)cc4)CC3)cc(=O)oc2c1 ZINC000053814990 214199968 /nfs/dbraw/zinc/19/99/68/214199968.db2.gz FVNLQKRLQCIBLJ-UHFFFAOYSA-N 1 0 347.414 4.096 50 0 EIAARO COc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)cc[nH+]c2c1 ZINC000054202391 214223627 /nfs/dbraw/zinc/22/36/27/214223627.db2.gz GRKVQPWSPUXGKV-UHFFFAOYSA-N 1 0 340.379 4.013 50 0 biogenic EIAARO C[C@@H](c1ccc(C(=O)N(C)Cc2ccsc2)o1)[NH+]1CCCCC1 ZINC000097730094 219052137 /nfs/dbraw/zinc/05/21/37/219052137.db2.gz UUQRQUPYSJUFEQ-AWEZNQCLSA-N 1 0 332.469 4.160 50 0 EIAARO Cc1cc(C)c(C)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000055120394 214275727 /nfs/dbraw/zinc/27/57/27/214275727.db2.gz NDLBWEBBGZDQDR-INIZCTEOSA-N 1 0 330.497 4.014 50 0 EIAARO CCC[N@H+](Cc1ccc(SC)cc1)Cc1cccc(C(=O)OC)n1 ZINC000055109307 214275394 /nfs/dbraw/zinc/27/53/94/214275394.db2.gz JJUWSWQZHZJDDM-UHFFFAOYSA-N 1 0 344.480 4.002 50 0 EIAARO CSc1cccc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000055197071 214286516 /nfs/dbraw/zinc/28/65/16/214286516.db2.gz OYRRUAPTYQETKH-HXUWFJFHSA-N 1 0 330.541 4.106 50 0 EIAARO COCC[N@H+](Cc1sccc1C)Cc1ccc(O)c(Cl)c1 ZINC000055393408 214316366 /nfs/dbraw/zinc/31/63/66/214316366.db2.gz WGBGIWVQPHGXIY-UHFFFAOYSA-N 1 0 325.861 4.064 50 0 EIAARO Cc1ccccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000004554025 210221143 /nfs/dbraw/zinc/22/11/43/210221143.db2.gz WKWKUUTZXXIPDW-KRWDZBQOSA-N 1 0 341.480 4.252 50 0 EIAARO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1OCc1ccccc1 ZINC000004413581 210188997 /nfs/dbraw/zinc/18/89/97/210188997.db2.gz VUTCCNWMRHTAJB-UHFFFAOYSA-N 1 0 348.446 4.349 50 0 EIAARO c1ccc(-n2nc(C3CC3)nc2CCC[NH+]2Cc3ccccc3C2)cc1 ZINC000065382035 214881533 /nfs/dbraw/zinc/88/15/33/214881533.db2.gz FJQGNGIUNDZXBO-UHFFFAOYSA-N 1 0 344.462 4.093 50 0 EIAARO C[NH+](C)CC(C)(C)Cn1cnc(-c2ccccc2)c1-c1ccncc1 ZINC000065509073 214939667 /nfs/dbraw/zinc/93/96/67/214939667.db2.gz MZDGCLFAMBGFTK-UHFFFAOYSA-N 1 0 334.467 4.200 50 0 EIAARO CC1CC[NH+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 ZINC000004026247 210102562 /nfs/dbraw/zinc/10/25/62/210102562.db2.gz FESUANMRRQPJBN-YAOJWGSESA-N 1 0 331.500 4.033 50 0 biogenic EIAARO Cn1c2ccccc2n2cc(C[N@H+](C)C34CC5CC(CC(C5)C3)C4)nc12 ZINC000003833059 210078639 /nfs/dbraw/zinc/07/86/39/210078639.db2.gz ZGDIACHVCVKQRB-UHFFFAOYSA-N 1 0 348.494 4.227 50 0 EIAARO c1ccc(-c2ccccc2OCCOCC[NH+]2CCCCC2)cc1 ZINC000003460446 210045395 /nfs/dbraw/zinc/04/53/95/210045395.db2.gz JYULRDHEGXZIJL-UHFFFAOYSA-N 1 0 325.452 4.235 50 0 EIAARO Cc1cc(OC[C@@H]2CCC[NH2+]C2)c(Br)c(C)c1Cl ZINC000042774447 213532870 /nfs/dbraw/zinc/53/28/70/213532870.db2.gz FFPJUSCTCRMBLA-LLVKDONJSA-N 1 0 332.669 4.098 50 0 EIAARO CCC(C)(C)c1ccc(OC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000042771000 213532598 /nfs/dbraw/zinc/53/25/98/213532598.db2.gz BGMVLCYHBRYTPL-LBPRGKRZSA-N 1 0 326.278 4.125 50 0 EIAARO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000067667685 215177765 /nfs/dbraw/zinc/17/77/65/215177765.db2.gz QZQGFTPZEUTJAQ-UHFFFAOYSA-N 1 0 340.320 4.093 50 0 EIAARO Cc1cc2ccccc2nc1Oc1ccccc1CN1CC[NH+](C)CC1 ZINC000067754932 215203010 /nfs/dbraw/zinc/20/30/10/215203010.db2.gz CEIGNHHZKLRLHA-UHFFFAOYSA-N 1 0 347.462 4.083 50 0 EIAARO Cc1cc2c(c(-c3nc4c(C)ccc(F)c4cc3C)c1)O[C@H](C[NH3+])C2 ZINC000067742536 215201110 /nfs/dbraw/zinc/20/11/10/215201110.db2.gz APADLPRNAKALPF-HNNXBMFYSA-N 1 0 336.410 4.228 50 0 EIAARO OCCCC[N@@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067805430 215218424 /nfs/dbraw/zinc/21/84/24/215218424.db2.gz UABRSFHJCOVJJI-UHFFFAOYSA-N 1 0 348.446 4.139 50 0 EIAARO C[C@H](c1ccc2ccccc2c1)[N@H+](C)C1CCN(C(=O)C2CC2)CC1 ZINC000067856122 215232947 /nfs/dbraw/zinc/23/29/47/215232947.db2.gz NRNXCWUPOUFSPV-MRXNPFEDSA-N 1 0 336.479 4.234 50 0 EIAARO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000067880811 215239573 /nfs/dbraw/zinc/23/95/73/215239573.db2.gz HONGZFVMIKOHBP-LJQANCHMSA-N 1 0 332.451 4.160 50 0 EIAARO C[NH+](C)[C@H]1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)C1 ZINC000104101494 219347471 /nfs/dbraw/zinc/34/74/71/219347471.db2.gz ZKDREEBMTDTLGO-AWEZNQCLSA-N 1 0 340.858 4.111 50 0 EIAARO c1cc(-c2noc(C[N@H+]3CCC[C@H]3CCc3ccccc3)n2)cs1 ZINC000040153649 213274160 /nfs/dbraw/zinc/27/41/60/213274160.db2.gz QKXKKQYVASYSKK-KRWDZBQOSA-N 1 0 339.464 4.395 50 0 EIAARO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1csc(-c2ncccn2)n1 ZINC000040153680 213273970 /nfs/dbraw/zinc/27/39/70/213273970.db2.gz ZRAPWCIKICLUMA-KRWDZBQOSA-N 1 0 336.464 4.246 50 0 EIAARO COc1ccc(C[N@H+](C)Cc2cc(F)cc3cccnc32)cc1F ZINC000040086040 213259154 /nfs/dbraw/zinc/25/91/54/213259154.db2.gz YXYGHZDTUKXFQH-UHFFFAOYSA-N 1 0 328.362 4.154 50 0 EIAARO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1 ZINC000040030644 213252809 /nfs/dbraw/zinc/25/28/09/213252809.db2.gz MOAZZFURQCAGQX-UHFFFAOYSA-N 1 0 349.475 4.263 50 0 EIAARO COc1ccc(C[NH2+][C@H](c2ccccc2)C(C)C)c(OC)c1OC ZINC000039985623 213249158 /nfs/dbraw/zinc/24/91/58/213249158.db2.gz UDEQKYISFRPRFA-SFHVURJKSA-N 1 0 329.440 4.199 50 0 EIAARO c1ccc2c(c1)cccc2-c1noc2c1C[N@H+]([C@@H]1CCSC1)CC2 ZINC000039430133 213235732 /nfs/dbraw/zinc/23/57/32/213235732.db2.gz FQBDLOSOFXLXBC-OAHLLOKOSA-N 1 0 336.460 4.358 50 0 EIAARO Cc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccn2)c(C)c1 ZINC000037523062 213152958 /nfs/dbraw/zinc/15/29/58/213152958.db2.gz OIQOSDHPBZETQN-QFIPXVFZSA-N 1 0 331.463 4.495 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036098756 213065351 /nfs/dbraw/zinc/06/53/51/213065351.db2.gz LDZTXYQMLZPBLL-QUCCMNQESA-N 1 0 327.468 4.035 50 0 EIAARO Cc1ccccc1C[N@H+](CC(C)C)C[C@@H](O)COCc1ccccc1 ZINC000036099815 213064733 /nfs/dbraw/zinc/06/47/33/213064733.db2.gz HYIVYQXFQBKIDU-JOCHJYFZSA-N 1 0 341.495 4.031 50 0 EIAARO COc1ccc(C[N@H+](CCC(C)C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000036095299 213063249 /nfs/dbraw/zinc/06/32/49/213063249.db2.gz FJYNNJUSANPGEY-NRFANRHFSA-N 1 0 341.495 4.147 50 0 EIAARO Cc1ccc(C[N@H+](CC(C)C)C[C@H](O)COCc2ccccc2)cc1 ZINC000036094928 213063884 /nfs/dbraw/zinc/06/38/84/213063884.db2.gz DWVVQSWJJLEQMC-QFIPXVFZSA-N 1 0 341.495 4.031 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccccc2-c2ccccc2)C1 ZINC000035052962 213005459 /nfs/dbraw/zinc/00/54/59/213005459.db2.gz ABPFCTGMKMWQTL-GGPKGHCWSA-N 1 0 339.479 4.071 50 0 EIAARO COc1ccc(Sc2ccccc2C[C@H](C)[NH+](C)C)cc1OC ZINC000033895880 212968525 /nfs/dbraw/zinc/96/85/25/212968525.db2.gz GACPGDCZXXWKFP-AWEZNQCLSA-N 1 0 331.481 4.348 50 0 EIAARO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000033040098 212890939 /nfs/dbraw/zinc/89/09/39/212890939.db2.gz FDAGOXUGRCZJLJ-CHWSQXEVSA-N 1 0 334.822 4.465 50 0 EIAARO CC[C@@H](c1ccccc1)[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000072074098 216002939 /nfs/dbraw/zinc/00/29/39/216002939.db2.gz XBSCFOZRGUUVPW-FQEVSTJZSA-N 1 0 338.451 4.344 50 0 EIAARO Cc1ccc(C)c(-c2csc3[nH]c(C[NH2+]CC(C)C)nc(=O)c23)c1 ZINC000036154437 213073785 /nfs/dbraw/zinc/07/37/85/213073785.db2.gz WBYWCPJMTBMZHU-UHFFFAOYSA-N 1 0 341.480 4.014 50 0 EIAARO CSc1ccccc1CN1CCC[N@H+](Cc2cccs2)CC1 ZINC000072158314 216048790 /nfs/dbraw/zinc/04/87/90/216048790.db2.gz OSRJIESBLWMKBU-UHFFFAOYSA-N 1 0 332.538 4.178 50 0 EIAARO CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(-c2ccccn2)cc1 ZINC000072169501 216060747 /nfs/dbraw/zinc/06/07/47/216060747.db2.gz KGXIQENFJBHPFX-OAQYLSRUSA-N 1 0 332.451 4.219 50 0 EIAARO Cc1[nH]c2ccc(C(=O)NC[C@H](C3CCCCC3)[NH+](C)C)cc2c1C ZINC000072272783 216095763 /nfs/dbraw/zinc/09/57/63/216095763.db2.gz ZFJSZMVSWPRNGK-HXUWFJFHSA-N 1 0 341.499 4.025 50 0 EIAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000072271713 216096205 /nfs/dbraw/zinc/09/62/05/216096205.db2.gz SMDBJPNGWSPXPM-LBPRGKRZSA-N 1 0 331.287 4.234 50 0 EIAARO CC[N@H+](C)C[C@H]1CCN(C(=O)CC2CCC(c3ccccc3)CC2)C1 ZINC000072303460 216142529 /nfs/dbraw/zinc/14/25/29/216142529.db2.gz WDLOGYMLZLZNOB-OBXNSHGQSA-N 1 0 342.527 4.151 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C)c2ccc(C)cc12 ZINC000028297090 212614120 /nfs/dbraw/zinc/61/41/20/212614120.db2.gz XYNAGHMHYXSCDA-ZTNFWEORSA-N 1 0 328.500 4.096 50 0 EIAARO COc1ccc(-c2nc3c(C)cccc3cc2C[NH+](C)C)cc1OC ZINC000072425441 216215900 /nfs/dbraw/zinc/21/59/00/216215900.db2.gz PRZNTZICOZXAIW-UHFFFAOYSA-N 1 0 336.435 4.289 50 0 EIAARO CC[C@@H](C)Cc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072429495 216221185 /nfs/dbraw/zinc/22/11/85/216221185.db2.gz KDUDPPADRLJTLQ-OAHLLOKOSA-N 1 0 343.902 4.388 50 0 EIAARO Clc1cccc(Cn2c3ccccc3nc2C[NH+]2CCCC2)c1 ZINC000027757716 212577452 /nfs/dbraw/zinc/57/74/52/212577452.db2.gz JVRNSEACVQYEOT-UHFFFAOYSA-N 1 0 325.843 4.334 50 0 EIAARO Cc1cccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000072480983 216259810 /nfs/dbraw/zinc/25/98/10/216259810.db2.gz LGRFNPSVXWLGEP-NRFANRHFSA-N 1 0 346.474 4.475 50 0 EIAARO C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)c1cccs1 ZINC000073102740 216348722 /nfs/dbraw/zinc/34/87/22/216348722.db2.gz FRWQHDXMCJSSAY-CQSZACIVSA-N 1 0 341.480 4.007 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)C1CCC(C(C)(C)C)CC1)c1ccsc1 ZINC000025330189 212474055 /nfs/dbraw/zinc/47/40/55/212474055.db2.gz ZUQKESBJUAYBAI-BDVYOWHSSA-N 1 0 336.545 4.320 50 0 EIAARO COc1ccccc1CC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000023280663 212366879 /nfs/dbraw/zinc/36/68/79/212366879.db2.gz YNWXGDYKFPKTME-AWEZNQCLSA-N 1 0 337.385 4.477 50 0 EIAARO CC(C)(C)C[N@@H+]1CCC[C@H]1c1ccc(C(=O)NCC(F)(F)F)s1 ZINC000023251058 212365160 /nfs/dbraw/zinc/36/51/60/212365160.db2.gz QZOBGVYNOOWBOS-NSHDSACASA-N 1 0 348.434 4.223 50 0 EIAARO CN(C)[C@H](C[NH2+]Cc1ccc(-c2ccccc2F)o1)c1ccco1 ZINC000022095735 212276783 /nfs/dbraw/zinc/27/67/83/212276783.db2.gz HFYKODGJMWLBCR-QGZVFWFLSA-N 1 0 328.387 4.071 50 0 EIAARO Cn1ccc2cc(C[NH+]3CCC([C@@H](O)c4cccs4)CC3)ccc21 ZINC000216113301 241165481 /nfs/dbraw/zinc/16/54/81/241165481.db2.gz VDZILAYETSUTRJ-HXUWFJFHSA-N 1 0 340.492 4.185 50 0 EIAARO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](CCCO)C2)cc1 ZINC000216260564 241177546 /nfs/dbraw/zinc/17/75/46/241177546.db2.gz CHXLIGNDBDMSME-IBGZPJMESA-N 1 0 338.495 4.439 50 0 EIAARO Cc1ccccc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000021170732 212214572 /nfs/dbraw/zinc/21/45/72/212214572.db2.gz AKXVUNGBBGWXAF-LJQANCHMSA-N 1 0 328.500 4.256 50 0 EIAARO CCSC1=NC2(CC[NH2+]CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000020848456 212175634 /nfs/dbraw/zinc/17/56/34/212175634.db2.gz MJDGIZAJURXOCK-UHFFFAOYSA-N 1 0 329.513 4.018 50 0 EIAARO C[C@H]1C[N@H+](CCn2c3ccccc3c3cc(Cl)ccc32)CCN1C ZINC000020536866 212144393 /nfs/dbraw/zinc/14/43/93/212144393.db2.gz KSYZLPHSZSDIHK-HNNXBMFYSA-N 1 0 341.886 4.084 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)[NH2+]CC2 ZINC000020506848 212141050 /nfs/dbraw/zinc/14/10/50/212141050.db2.gz WEKALSXFBRPZOT-LJQANCHMSA-N 1 0 331.843 4.373 50 0 EIAARO CCOc1cc2c(cc1OCC)[C@H](c1cccc(Cl)c1)[NH2+]CC2 ZINC000020506863 212141567 /nfs/dbraw/zinc/14/15/67/212141567.db2.gz ZIJUKVHWGJPCTK-IBGZPJMESA-N 1 0 331.843 4.373 50 0 EIAARO Cc1ccc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc1 ZINC000020102858 212100753 /nfs/dbraw/zinc/10/07/53/212100753.db2.gz NQPIKRUJSKHSKP-UHFFFAOYSA-N 1 0 328.500 4.046 50 0 EIAARO CSc1ccc(CN2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000019832107 212073026 /nfs/dbraw/zinc/07/30/26/212073026.db2.gz WBKSZQMTFQHZQJ-UHFFFAOYSA-N 1 0 326.509 4.035 50 0 EIAARO Fc1ccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000019361469 212021306 /nfs/dbraw/zinc/02/13/06/212021306.db2.gz HLACBROTJDQZOS-UHFFFAOYSA-N 1 0 334.438 4.297 50 0 EIAARO Clc1cccc(CN2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000019156866 212001434 /nfs/dbraw/zinc/00/14/34/212001434.db2.gz SOPFZSFWVNVFTB-UHFFFAOYSA-N 1 0 328.887 4.090 50 0 EIAARO CCC1(CC)Cc2cc(OC)c(OC)cc2[C@@H](c2ccccc2)[NH2+]1 ZINC000019205341 212004360 /nfs/dbraw/zinc/00/43/60/212004360.db2.gz OCNMIKHELOBPHD-HXUWFJFHSA-N 1 0 325.452 4.498 50 0 biogenic EIAARO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)CCSc2ccccc2)C1 ZINC000079109635 217195423 /nfs/dbraw/zinc/19/54/23/217195423.db2.gz GKVCLBCFBQHXGF-ROUUACIJSA-N 1 0 348.556 4.042 50 0 EIAARO COc1ccc(-c2cn3c([n+]2-c2ccc(C)cc2)CCCCC3)cc1 ZINC000015952967 211871633 /nfs/dbraw/zinc/87/16/33/211871633.db2.gz PAPMAGPVCPSESQ-UHFFFAOYSA-N 1 0 333.455 4.475 50 0 EIAARO Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000012488721 211393345 /nfs/dbraw/zinc/39/33/45/211393345.db2.gz IQBLIRIOHYOSCQ-UHFFFAOYSA-N 1 0 340.442 4.050 50 0 EIAARO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012448654 211387644 /nfs/dbraw/zinc/38/76/44/211387644.db2.gz GQXJEJKGYWJGMI-OAHLLOKOSA-N 1 0 328.843 4.138 50 0 EIAARO CC(C)(C)c1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012205172 211320935 /nfs/dbraw/zinc/32/09/35/211320935.db2.gz PEBXTQMMYAQOII-IBGZPJMESA-N 1 0 336.479 4.474 50 0 EIAARO COc1cc(C[NH2+]Cc2cc(C)cc3c(C)c(C)[nH]c32)cc(OC)c1 ZINC000012074266 211287020 /nfs/dbraw/zinc/28/70/20/211287020.db2.gz YRZYNDXKXCTHMW-UHFFFAOYSA-N 1 0 338.451 4.400 50 0 EIAARO CC[C@@H](c1cccnc1)[N@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091706636 218051059 /nfs/dbraw/zinc/05/10/59/218051059.db2.gz BRZXVUCDZWCHHC-KRWDZBQOSA-N 1 0 341.842 4.160 50 0 EIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc2ccccc21 ZINC000011005172 211199147 /nfs/dbraw/zinc/19/91/47/211199147.db2.gz VZVYKLMXWBVAQI-INIZCTEOSA-N 1 0 325.456 4.226 50 0 EIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc2ccccc21 ZINC000011005168 211198962 /nfs/dbraw/zinc/19/89/62/211198962.db2.gz VZVYKLMXWBVAQI-MRXNPFEDSA-N 1 0 325.456 4.226 50 0 EIAARO Fc1ccc(CSC2=[NH+][C@@H]3CCCC[C@H]3N2)c(Br)c1 ZINC000011171313 211206369 /nfs/dbraw/zinc/20/63/69/211206369.db2.gz YZIGHNMHQZWVFA-CHWSQXEVSA-N 1 0 343.265 4.092 50 0 EIAARO O=C(Nc1c(F)cccc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010330150 211163970 /nfs/dbraw/zinc/16/39/70/211163970.db2.gz PFXUOYBBMFFFJS-UHFFFAOYSA-N 1 0 330.378 4.203 50 0 EIAARO O=C(c1c(F)cc(F)cc1F)C1CC[NH+](Cc2cccs2)CC1 ZINC000093440753 218226217 /nfs/dbraw/zinc/22/62/17/218226217.db2.gz OURBOMJGAQCQBD-UHFFFAOYSA-N 1 0 339.382 4.260 50 0 EIAARO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnc(-c3cccnc3)s2)n1 ZINC000093445031 218226306 /nfs/dbraw/zinc/22/63/06/218226306.db2.gz AAUBYZITFPRXRQ-GOSISDBHSA-N 1 0 336.464 4.246 50 0 EIAARO Cc1ccc(F)c(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1 ZINC000094122813 218266061 /nfs/dbraw/zinc/26/60/61/218266061.db2.gz NLPQKFVLMOMBAP-UHFFFAOYSA-N 1 0 326.415 4.025 50 0 EIAARO O=C(CC[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCCCC1 ZINC000095349849 218283873 /nfs/dbraw/zinc/28/38/73/218283873.db2.gz TXBDSNOKOVACMM-QFIPXVFZSA-N 1 0 348.490 4.037 50 0 EIAARO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062804 211037112 /nfs/dbraw/zinc/03/71/12/211037112.db2.gz JZIXREYOPSXAOS-UHFFFAOYSA-N 1 0 346.833 4.330 50 0 EIAARO CCc1nc(C)sc1C[N@@H+]1CCC[C@@H](c2nccn2C(C)C)C1 ZINC000095387249 218319241 /nfs/dbraw/zinc/31/92/41/218319241.db2.gz NTEYONVMOZBHPP-OAHLLOKOSA-N 1 0 332.517 4.171 50 0 EIAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1 ZINC000095419573 218359824 /nfs/dbraw/zinc/35/98/24/218359824.db2.gz GFRDZYHAKFQRGS-KKSFZXQISA-N 1 0 347.462 4.337 50 0 EIAARO CCOc1c(Cl)cc(C[NH2+][C@H](C)c2cncc(F)c2)cc1OC ZINC000095420547 218361544 /nfs/dbraw/zinc/36/15/44/218361544.db2.gz HTASLQYLBBIGMG-LLVKDONJSA-N 1 0 338.810 4.132 50 0 EIAARO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCCC3=O)cc2)cc1C ZINC000095420650 218362070 /nfs/dbraw/zinc/36/20/70/218362070.db2.gz MXNDPJGQMIBZRQ-GOSISDBHSA-N 1 0 336.479 4.277 50 0 EIAARO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2oc3ccccc3c2C)cn1 ZINC000095420605 218362435 /nfs/dbraw/zinc/36/24/35/218362435.db2.gz YZNYARXSLRGDRB-OAHLLOKOSA-N 1 0 346.434 4.481 50 0 EIAARO Cc1csc(CCC[NH2+][C@H](C)CC(=O)Nc2cccc(C)c2C)n1 ZINC000095421640 218363128 /nfs/dbraw/zinc/36/31/28/218363128.db2.gz XQZHBISIXRBLHA-CQSZACIVSA-N 1 0 345.512 4.008 50 0 EIAARO C[C@@H]([NH2+]C1CCN(CCc2ccncc2)CC1)c1cc2ccccc2o1 ZINC000095421526 218363362 /nfs/dbraw/zinc/36/33/62/218363362.db2.gz JHBLWEWLTJIETO-QGZVFWFLSA-N 1 0 349.478 4.186 50 0 EIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccc(OC(C)C)c(F)c2)c1 ZINC000095422040 218364456 /nfs/dbraw/zinc/36/44/56/218364456.db2.gz RJTDZPMWZGVWEO-CQSZACIVSA-N 1 0 344.430 4.422 50 0 EIAARO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc2ccccc2o1 ZINC000095423184 218366086 /nfs/dbraw/zinc/36/60/86/218366086.db2.gz GGJSDLJECNOUKT-HNNXBMFYSA-N 1 0 336.435 4.028 50 0 EIAARO OC1CC[NH+](Cc2ccccc2NCc2ccc(F)cc2Cl)CC1 ZINC000095425773 218367710 /nfs/dbraw/zinc/36/77/10/218367710.db2.gz QIOUIPGQRYIBAL-UHFFFAOYSA-N 1 0 348.849 4.048 50 0 EIAARO O=C1CC2(CN1Cc1ccc(Cl)cc1)CC[NH+](C1CCCC1)CC2 ZINC000095501341 218415762 /nfs/dbraw/zinc/41/57/62/218415762.db2.gz VNVCVAWCOWRWDB-UHFFFAOYSA-N 1 0 346.902 4.097 50 0 EIAARO CSc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](C)CC2)c1 ZINC000112247974 220272894 /nfs/dbraw/zinc/27/28/94/220272894.db2.gz AWDBOHPOXIPLSJ-UHFFFAOYSA-N 1 0 340.492 4.150 50 0 EIAARO C[C@@H]1C[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CCO1 ZINC000095988709 218495783 /nfs/dbraw/zinc/49/57/83/218495783.db2.gz LXUSBTLCHVUBAI-SJORKVTESA-N 1 0 344.499 4.205 50 0 EIAARO COc1cccc(OCCCC[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC000006624457 210664131 /nfs/dbraw/zinc/66/41/31/210664131.db2.gz ITNCHSZVTBOMMN-NRFANRHFSA-N 1 0 340.467 4.476 50 0 biogenic EIAARO COc1cc(C[NH2+]C2CCCC2)ccc1OCc1ccc(Cl)nc1 ZINC000005268847 210429414 /nfs/dbraw/zinc/42/94/14/210429414.db2.gz OMCDOKSQEKUOGO-UHFFFAOYSA-N 1 0 346.858 4.355 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1csc2c1CCCC2 ZINC000005070128 210383814 /nfs/dbraw/zinc/38/38/14/210383814.db2.gz ZMBRNJVGBUOWLD-GASCZTMLSA-N 1 0 334.529 4.010 50 0 EIAARO COc1cc(C[NH2+]C2CCC(C(C)(C)C)CC2)cc(OC)c1OC ZINC000004989332 210350987 /nfs/dbraw/zinc/35/09/87/210350987.db2.gz BOVJJQPAOBLYFB-UHFFFAOYSA-N 1 0 335.488 4.407 50 0 EIAARO O[C@H](C[NH+]1CCC(Cc2ccccc2)CC1)c1c[nH]c2ccccc21 ZINC000004862952 210304476 /nfs/dbraw/zinc/30/44/76/210304476.db2.gz AVIDNPPGLHHWKD-JOCHJYFZSA-N 1 0 334.463 4.156 50 0 EIAARO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OC ZINC000004839619 210295361 /nfs/dbraw/zinc/29/53/61/210295361.db2.gz JJPUQAHGWAMKAQ-UHFFFAOYSA-N 1 0 335.875 4.416 50 0 EIAARO COCc1ccc(C(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)o1 ZINC000097494369 219029255 /nfs/dbraw/zinc/02/92/55/219029255.db2.gz DDZVNOFMNMFSMI-OAHLLOKOSA-N 1 0 342.439 4.053 50 0 EIAARO Fc1cnc2c(c1)nccc2NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000328592574 258043889 /nfs/dbraw/zinc/04/38/89/258043889.db2.gz DVKVEORUUFUETG-KRWDZBQOSA-N 1 0 340.402 4.001 50 0 EIAARO CC(C)[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000248015755 258073000 /nfs/dbraw/zinc/07/30/00/258073000.db2.gz SOWJCDQWBFPBQI-UHFFFAOYSA-N 1 0 340.858 4.145 50 0 EIAARO Cc1ccsc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000055543620 132195857 /nfs/dbraw/zinc/19/58/57/132195857.db2.gz UXNXTRALRUQANK-UHFFFAOYSA-N 1 0 340.414 4.398 50 0 EIAARO Cc1ccc(-c2cccc(NC(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000299755040 262541015 /nfs/dbraw/zinc/54/10/15/262541015.db2.gz AKRUJWLZNYLVEN-QFIPXVFZSA-N 1 0 349.478 4.269 50 0 EIAARO CC[C@@H](COc1ccccn1)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000041154147 563924387 /nfs/dbraw/zinc/92/43/87/563924387.db2.gz ARZWQYHWRXWHPC-AWEZNQCLSA-N 1 0 325.239 4.336 50 0 EIAARO Brc1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000097141144 563968260 /nfs/dbraw/zinc/96/82/60/563968260.db2.gz BBEKGSQQVIMMNP-NHYWBVRUSA-N 1 0 334.261 4.090 50 0 EIAARO C[N@@H+]1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1 ZINC000000156831 563248137 /nfs/dbraw/zinc/24/81/37/563248137.db2.gz MXYUKLILVYORSK-HKBOAZHASA-N 1 0 337.463 4.236 50 0 biogenic,in-man EIAARO COc1ccc(C[NH2+][C@H]2CC(C)(C)OC[C@H]2Cc2ccccc2)cc1 ZINC000000197366 563257958 /nfs/dbraw/zinc/25/79/58/563257958.db2.gz YXAXNNGFZSMSET-CTNGQTDRSA-N 1 0 339.479 4.211 50 0 EIAARO CC[NH+](CC)C[C@H](O)c1cc2cc(Br)ccc2s1 ZINC000000338774 563286005 /nfs/dbraw/zinc/28/60/05/563286005.db2.gz RQLHMDGRXVRMOL-LBPRGKRZSA-N 1 0 328.275 4.039 50 0 EIAARO CCCOc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC ZINC000001817340 563413430 /nfs/dbraw/zinc/41/34/30/563413430.db2.gz JHWGOXBHJAQYEN-FQEVSTJZSA-N 1 0 336.435 4.200 50 0 biogenic EIAARO CCC[C@H]([NH2+][C@@H](CCC)[C@H](O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000002062712 563420884 /nfs/dbraw/zinc/42/08/84/563420884.db2.gz BCXARWAGLICOTL-FNAHDJPLSA-N 1 0 341.495 4.381 50 0 EIAARO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)c(Cl)c1 ZINC000002701359 563602761 /nfs/dbraw/zinc/60/27/61/563602761.db2.gz FRMSMCJUMKFORR-UHFFFAOYSA-N 1 0 349.261 4.380 50 0 EIAARO CC[NH+](CC)CCNC(=O)N1c2ccccc2Sc2ccccc21 ZINC000012404224 563660040 /nfs/dbraw/zinc/66/00/40/563660040.db2.gz QSJQKFPGHYDDTM-UHFFFAOYSA-N 1 0 341.480 4.341 50 0 EIAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C2CC2)cc1F ZINC000012677166 563667536 /nfs/dbraw/zinc/66/75/36/563667536.db2.gz XASDZBQTQPURDC-KUHUBIRLSA-N 1 0 326.415 4.202 50 0 EIAARO Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000012714762 563669125 /nfs/dbraw/zinc/66/91/25/563669125.db2.gz LTEZZWTXKFWORX-MRXNPFEDSA-N 1 0 344.430 4.358 50 0 EIAARO Oc1ccc(C2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)cc1 ZINC000012981501 563681338 /nfs/dbraw/zinc/68/13/38/563681338.db2.gz CYVFYVWPJNKKEI-UHFFFAOYSA-N 1 0 334.419 4.427 50 0 EIAARO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1OC)c1ccc(C)cc1 ZINC000012993082 563682644 /nfs/dbraw/zinc/68/26/44/563682644.db2.gz RANGERMMHJGWOL-NVXWUHKLSA-N 1 0 326.440 4.072 50 0 EIAARO Cc1ccc(C)c(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013322985 563694534 /nfs/dbraw/zinc/69/45/34/563694534.db2.gz ZZRQXXDWFSZJLA-UHFFFAOYSA-N 1 0 337.467 4.090 50 0 EIAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000014956908 563768118 /nfs/dbraw/zinc/76/81/18/563768118.db2.gz FAMKRRMBEBUCPX-OAHLLOKOSA-N 1 0 344.528 4.468 50 0 EIAARO CC(=O)c1cccc(C[NH2+]Cc2cccnc2Oc2ccc(C)nc2)c1 ZINC000015063776 563774736 /nfs/dbraw/zinc/77/47/36/563774736.db2.gz ZXPIYWKHABMSKJ-UHFFFAOYSA-N 1 0 347.418 4.070 50 0 EIAARO Cc1ccccc1-c1noc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000015377510 563783932 /nfs/dbraw/zinc/78/39/32/563783932.db2.gz BGGKBDSEEHYHIF-UHFFFAOYSA-N 1 0 347.462 4.500 50 0 EIAARO COC(=O)c1c(C[NH+]2CCCC2)nc2ccccc2c1-c1ccccc1 ZINC000015376660 563783989 /nfs/dbraw/zinc/78/39/89/563783989.db2.gz AYDOMBLFNVUOCE-UHFFFAOYSA-N 1 0 346.430 4.284 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccccc1 ZINC000032902442 563787940 /nfs/dbraw/zinc/78/79/40/563787940.db2.gz LMCRTRVSVWSGAZ-KRWDZBQOSA-N 1 0 348.849 4.292 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)[NH+]2CCC(C)CC2)o1 ZINC000015860271 563797035 /nfs/dbraw/zinc/79/70/35/563797035.db2.gz MDYBOYSXIKVSHQ-IBGZPJMESA-N 1 0 340.467 4.099 50 0 EIAARO Cc1ccc([C@H](CNC(=O)c2ccc(C)cc2)[NH+]2CCC(C)CC2)o1 ZINC000015860269 563797046 /nfs/dbraw/zinc/79/70/46/563797046.db2.gz IOXDFMDPZWMSQE-IBGZPJMESA-N 1 0 340.467 4.099 50 0 EIAARO Cn1c2ccccc2[n+]2c(-c3ccc(Br)cc3)csc12 ZINC000017138944 563838078 /nfs/dbraw/zinc/83/80/78/563838078.db2.gz ACCWCQAWJLEDBB-UHFFFAOYSA-N 1 0 344.257 4.408 50 0 EIAARO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CCCSCC1 ZINC000032935693 563845150 /nfs/dbraw/zinc/84/51/50/563845150.db2.gz UZNRHTDNDSIBGP-INIZCTEOSA-N 1 0 340.492 4.120 50 0 EIAARO C[C@H](CCCC(C)(C)O)[NH2+]C1CCN(c2cccc(Cl)c2)CC1 ZINC000020535880 563859359 /nfs/dbraw/zinc/85/93/59/563859359.db2.gz LUMVIHUIJWMMDI-OAHLLOKOSA-N 1 0 338.923 4.228 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043357373 563864913 /nfs/dbraw/zinc/86/49/13/563864913.db2.gz XZBUKWVAOKCDEW-AWEZNQCLSA-N 1 0 337.876 4.134 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043357374 563864973 /nfs/dbraw/zinc/86/49/73/563864973.db2.gz XZBUKWVAOKCDEW-CQSZACIVSA-N 1 0 337.876 4.134 50 0 EIAARO CCC(C)(C)[NH2+]CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000024841344 563876654 /nfs/dbraw/zinc/87/66/54/563876654.db2.gz WRJWWDJEMFBRKA-LJQANCHMSA-N 1 0 344.886 4.324 50 0 EIAARO CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1(C)C ZINC000025156829 563881550 /nfs/dbraw/zinc/88/15/50/563881550.db2.gz LYHLATABDYOCRS-WOJBJXKFSA-N 1 0 340.511 4.137 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)c1ccc(-n2cncn2)cc1 ZINC000025364280 563883980 /nfs/dbraw/zinc/88/39/80/563883980.db2.gz QUUFWPLNBGGLTE-ZDUSSCGKSA-N 1 0 346.356 4.137 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1csc2ccccc12)c1cccc(F)c1 ZINC000025382815 563884356 /nfs/dbraw/zinc/88/43/56/563884356.db2.gz IIBKPKGHEYKCMF-QGZVFWFLSA-N 1 0 342.439 4.073 50 0 EIAARO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1=Cc2ccccc2OC1 ZINC000027141131 563894829 /nfs/dbraw/zinc/89/48/29/563894829.db2.gz JZUNSLCWJHIMSP-UHFFFAOYSA-N 1 0 348.446 4.087 50 0 EIAARO Cc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000027581850 563897184 /nfs/dbraw/zinc/89/71/84/563897184.db2.gz CNEIYAIJHDHFMF-NRFANRHFSA-N 1 0 336.479 4.260 50 0 EIAARO Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCCC2)cc1 ZINC000027662569 563898412 /nfs/dbraw/zinc/89/84/12/563898412.db2.gz TYMVPQCFKSWLKQ-GOSISDBHSA-N 1 0 342.508 4.404 50 0 EIAARO Cc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC000028290454 563902144 /nfs/dbraw/zinc/90/21/44/563902144.db2.gz YLAYXUNYKPEJNO-FQEVSTJZSA-N 1 0 338.495 4.325 50 0 EIAARO Cc1c(C)n(C[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)c2ccc(C)cc12 ZINC000028297103 563902523 /nfs/dbraw/zinc/90/25/23/563902523.db2.gz SILYRVYUBDNFOK-PXNSSMCTSA-N 1 0 336.479 4.278 50 0 EIAARO COCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000028428346 563902914 /nfs/dbraw/zinc/90/29/14/563902914.db2.gz QWASVMFCGQDSAA-UHFFFAOYSA-N 1 0 328.843 4.079 50 0 EIAARO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1ccccc1Br ZINC000023280228 563906298 /nfs/dbraw/zinc/90/62/98/563906298.db2.gz GPCNSULUIGMSGF-ZDUSSCGKSA-N 1 0 334.257 4.266 50 0 EIAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000029482877 563906496 /nfs/dbraw/zinc/90/64/96/563906496.db2.gz RIOXYVADUZZYNZ-GOSISDBHSA-N 1 0 328.843 4.206 50 0 EIAARO Clc1cccc(Cl)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000000213187 563917152 /nfs/dbraw/zinc/91/71/52/563917152.db2.gz OXFNVFWJJDCUBY-UHFFFAOYSA-N 1 0 327.299 4.444 50 0 EIAARO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2CC(C)C)C1 ZINC000042484224 563924702 /nfs/dbraw/zinc/92/47/02/563924702.db2.gz VCJAUMOYJLFSEV-SFHVURJKSA-N 1 0 341.499 4.387 50 0 EIAARO Brc1ccc(OCC2CC[NH2+]CC2)c(-c2ccccc2)c1 ZINC000042774908 563925019 /nfs/dbraw/zinc/92/50/19/563925019.db2.gz HWENOMGOSLMMFN-UHFFFAOYSA-N 1 0 346.268 4.495 50 0 EIAARO CCCCc1cc(=O)[nH]c(-c2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)n1 ZINC000048435644 563930352 /nfs/dbraw/zinc/93/03/52/563930352.db2.gz ZKBSSPPZVQFFPS-INIZCTEOSA-N 1 0 339.483 4.154 50 0 EIAARO O=C(C[NH2+]Cc1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000058160872 563938369 /nfs/dbraw/zinc/93/83/69/563938369.db2.gz XARQNRJOQZFAPJ-UHFFFAOYSA-N 1 0 330.431 4.006 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1c(C)cc(C)cc1C)CC(C)C ZINC000058209316 563939819 /nfs/dbraw/zinc/93/98/19/563939819.db2.gz ZJKLFOQURVMXQV-GOSISDBHSA-N 1 0 333.520 4.490 50 0 EIAARO c1ccc(Cc2noc(C[N@@H+]3CCC[C@H]3C3CCCCC3)n2)cc1 ZINC000058209047 563939845 /nfs/dbraw/zinc/93/98/45/563939845.db2.gz CDFVESZUEWPTFV-SFHVURJKSA-N 1 0 325.456 4.205 50 0 EIAARO Cc1ccc2c(C[N@@H+]3CCC[C@@H]3c3ccc(O)cc3)cc(=O)oc2c1 ZINC000058424495 563945890 /nfs/dbraw/zinc/94/58/90/563945890.db2.gz CXFYSSWGYPELFQ-LJQANCHMSA-N 1 0 335.403 4.144 50 0 EIAARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)s1 ZINC000126496596 563963344 /nfs/dbraw/zinc/96/33/44/563963344.db2.gz YULWCCRXVZOZAI-CYBMUJFWSA-N 1 0 326.469 4.050 50 0 EIAARO Cc1nnc(C)n1-c1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1Cl ZINC000071770403 563965616 /nfs/dbraw/zinc/96/56/16/563965616.db2.gz CLGWWLLHDRLWPT-QGZVFWFLSA-N 1 0 347.249 4.239 50 0 EIAARO CC(C)(C)[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc(F)cc1F ZINC000097017306 563966794 /nfs/dbraw/zinc/96/67/94/563966794.db2.gz YYYDTODYKOXIQK-KRWDZBQOSA-N 1 0 346.412 4.371 50 0 EIAARO CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2Cc1nc(C)no1 ZINC000097141123 563968270 /nfs/dbraw/zinc/96/82/70/563968270.db2.gz ZFQIWUGZORUVTE-QGZVFWFLSA-N 1 0 340.471 4.100 50 0 EIAARO CCCc1ccc2oc(C(=O)N(CC)C[C@@H]3CC[N@H+](C)C3)c(C)c2c1 ZINC000077321683 563968983 /nfs/dbraw/zinc/96/89/83/563968983.db2.gz ALBLVCSOHQYMGW-QGZVFWFLSA-N 1 0 342.483 4.108 50 0 EIAARO Cc1cc(N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)cc[nH+]1 ZINC000082106313 563972243 /nfs/dbraw/zinc/97/22/43/563972243.db2.gz GODVZDZFJQWHGL-LJQANCHMSA-N 1 0 332.451 4.019 50 0 EIAARO Cc1cccc(NC(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)c1C ZINC000033312149 563973557 /nfs/dbraw/zinc/97/35/57/563973557.db2.gz MCJLAAIVQQFOGN-INIZCTEOSA-N 1 0 343.515 4.279 50 0 EIAARO O=C(CN1CC[C@@H]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1Cl ZINC000247425841 563973810 /nfs/dbraw/zinc/97/38/10/563973810.db2.gz SLRLKULDMBMYPI-STQMWFEESA-N 1 0 341.282 4.444 50 0 EIAARO Cc1cccc(-c2nc3ccccc3c(N(C)C3CC[NH+](C)CC3)n2)c1 ZINC000000144309 563987187 /nfs/dbraw/zinc/98/71/87/563987187.db2.gz FWGGYKDHPHFMBL-UHFFFAOYSA-N 1 0 346.478 4.136 50 0 EIAARO Cc1ccc(NC(=S)N(C(C)C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000000261476 563989688 /nfs/dbraw/zinc/98/96/88/563989688.db2.gz BAKXCQSGZOLFCM-UHFFFAOYSA-N 1 0 333.545 4.275 50 0 EIAARO CC1(C)[C@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)[C@@H]2CCCC[C@@H]21 ZINC000121908317 563994282 /nfs/dbraw/zinc/99/42/82/563994282.db2.gz REQHQYJJNXKOHS-HSALFYBXSA-N 1 0 346.559 4.362 50 0 EIAARO COc1ccc(C[C@H]([NH2+]Cc2cccnc2)c2ccc(OC)cc2)cc1 ZINC000017317781 564011649 /nfs/dbraw/zinc/01/16/49/564011649.db2.gz SYRJGWYEQVCMRN-QFIPXVFZSA-N 1 0 348.446 4.172 50 0 EIAARO CC(C)C(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000107058478 564026785 /nfs/dbraw/zinc/02/67/85/564026785.db2.gz FNWJCNKFBWSMCV-AHIWAGSCSA-N 1 0 340.870 4.023 50 0 EIAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000107504569 564026953 /nfs/dbraw/zinc/02/69/53/564026953.db2.gz UFWSIRDZPDKLCM-MRRJBJDNSA-N 1 0 342.405 4.003 50 0 EIAARO CCOc1ccc(Oc2ccc(NC(=O)C[N@H+](C)C(C)C)cc2)cc1 ZINC000048263610 564030325 /nfs/dbraw/zinc/03/03/25/564030325.db2.gz SHZARTYYLKBJAZ-UHFFFAOYSA-N 1 0 342.439 4.156 50 0 EIAARO CCC(C)(C)[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000048343051 564031228 /nfs/dbraw/zinc/03/12/28/564031228.db2.gz IPOWXDYINOKWLN-CQSZACIVSA-N 1 0 327.896 4.290 50 0 EIAARO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1ccccc1 ZINC000048681419 564032035 /nfs/dbraw/zinc/03/20/35/564032035.db2.gz MJWDEFZJINRLDZ-UHFFFAOYSA-N 1 0 325.843 4.432 50 0 EIAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(F)cc1 ZINC000008003819 564034584 /nfs/dbraw/zinc/03/45/84/564034584.db2.gz OADWDRGVDFXMNN-SFHVURJKSA-N 1 0 336.357 4.029 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000008548293 564035788 /nfs/dbraw/zinc/03/57/88/564035788.db2.gz VXGAVIRQFRIIMO-FUHIMQAGSA-N 1 0 328.500 4.155 50 0 EIAARO CC(C)[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000248034853 564052922 /nfs/dbraw/zinc/05/29/22/564052922.db2.gz YTAGNOKBNBORFN-UHFFFAOYSA-N 1 0 340.858 4.145 50 0 EIAARO Cn1cc(C[N@H+](Cc2ccccc2)[C@H]2CCCC[C@H]2O)c2ccccc21 ZINC000248136329 564053018 /nfs/dbraw/zinc/05/30/18/564053018.db2.gz OUXWLMCCCZTPEC-XZOQPEGZSA-N 1 0 348.490 4.484 50 0 EIAARO Cc1ccccc1Cn1cc(C[NH2+]C[C@@H]2CCCO2)c2ccccc21 ZINC000248148028 564053025 /nfs/dbraw/zinc/05/30/25/564053025.db2.gz IJKINUSTBSCNSP-FQEVSTJZSA-N 1 0 334.463 4.267 50 0 EIAARO CCn1nc(C[NH2+][C@H](C)CCc2ccccc2)c(-c2ccccc2)n1 ZINC000249690741 564053152 /nfs/dbraw/zinc/05/31/52/564053152.db2.gz KSABHTCBYQJGAC-QGZVFWFLSA-N 1 0 334.467 4.076 50 0 EIAARO Fc1ccc2c(c1)Sc1ccc(Cl)cc1[C@H](N1CC[NH2+]CC1)C2 ZINC000252494471 564053504 /nfs/dbraw/zinc/05/35/04/564053504.db2.gz NWROBGNWTKLKBB-MRXNPFEDSA-N 1 0 348.874 4.133 50 0 EIAARO CC[NH+](CC)CCOCCOC(c1ccccc1)c1ccccc1 ZINC000005847895 564056606 /nfs/dbraw/zinc/05/66/06/564056606.db2.gz YCBQIZCNFRPJKS-UHFFFAOYSA-N 1 0 327.468 4.151 50 0 EIAARO c1ncn(C2CCCCC2)c1C[N@H+](CC1CCC1)C[C@H]1CCCO1 ZINC000299763514 564060717 /nfs/dbraw/zinc/06/07/17/564060717.db2.gz WNJSMCCZEQJHHO-HXUWFJFHSA-N 1 0 331.504 4.169 50 0 EIAARO Cc1ccc(C(O)(c2ccc(C)c(C)c2)[C@@H]2C[NH+]3CCC2CC3)cc1C ZINC000001247371 564062690 /nfs/dbraw/zinc/06/26/90/564062690.db2.gz AIEOARPRTKSOKM-HSZRJFAPSA-N 1 0 349.518 4.498 50 0 EIAARO Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3cc(F)ccc3F)cc2)n1 ZINC000084104979 564066544 /nfs/dbraw/zinc/06/65/44/564066544.db2.gz CALVPQHSMHNECP-UHFFFAOYSA-N 1 0 341.405 4.100 50 0 EIAARO CC(C)c1ccc(C[N@H+](C)[C@@H](C)C(=O)NCc2cccs2)cc1 ZINC000012767472 564068237 /nfs/dbraw/zinc/06/82/37/564068237.db2.gz FRSZFMJMNNWBIN-HNNXBMFYSA-N 1 0 330.497 4.008 50 0 EIAARO O[C@@H](C[N@@H+]1CCC[C@H]1CCc1ccccc1)c1ccc(F)c(F)c1 ZINC000084528465 564068562 /nfs/dbraw/zinc/06/85/62/564068562.db2.gz YCFGZWFARNPSFM-PXNSSMCTSA-N 1 0 331.406 4.095 50 0 EIAARO O[C@@H](C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccccc1 ZINC000033015074 564068672 /nfs/dbraw/zinc/06/86/72/564068672.db2.gz NLYDMZIZDAUGBL-AEFFLSMTSA-N 1 0 338.476 4.209 50 0 EIAARO C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012773354 564069087 /nfs/dbraw/zinc/06/90/87/564069087.db2.gz PTBYQWLNBXUIQE-SJKOYZFVSA-N 1 0 348.368 4.310 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(Cl)cc1F)c1ccccc1 ZINC000012779492 564069800 /nfs/dbraw/zinc/06/98/00/564069800.db2.gz OMOSVTPCIKDKSI-SFHVURJKSA-N 1 0 348.849 4.292 50 0 EIAARO COc1cccc2cc([C@H](C)[NH2+]Cc3ccc([S@@](C)=O)cc3)oc21 ZINC000085299267 564072472 /nfs/dbraw/zinc/07/24/72/564072472.db2.gz MJVYCTUFHLBTKM-RZFZLAGVSA-N 1 0 343.448 4.030 50 0 EIAARO C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000012862245 564075746 /nfs/dbraw/zinc/07/57/46/564075746.db2.gz AFTCZMDVYJXYRJ-XJKSGUPXSA-N 1 0 348.899 4.243 50 0 EIAARO C[NH+](C)[C@@H](CNc1ncnc2cc(Cl)ccc21)c1cccs1 ZINC000012867773 564075881 /nfs/dbraw/zinc/07/58/81/564075881.db2.gz UAXGFSSWJBRGMH-AWEZNQCLSA-N 1 0 332.860 4.060 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2ccccc21 ZINC000012922755 564078429 /nfs/dbraw/zinc/07/84/29/564078429.db2.gz NEMDARSPMGQNQX-CXAGYDPISA-N 1 0 328.843 4.253 50 0 EIAARO c1cc(CCN2CCC([NH2+]CC3CCCCCCC3)CC2)ccn1 ZINC000075093185 564079967 /nfs/dbraw/zinc/07/99/67/564079967.db2.gz YMRSRUHSZVLISQ-UHFFFAOYSA-N 1 0 329.532 4.039 50 0 EIAARO Clc1ccc(COCC2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000075156583 564080945 /nfs/dbraw/zinc/08/09/45/564080945.db2.gz PVZGLYPQFBHNJG-UHFFFAOYSA-N 1 0 330.859 4.164 50 0 EIAARO Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000090728953 564086254 /nfs/dbraw/zinc/08/62/54/564086254.db2.gz MLUPXVFQTVBHNU-KBPBESRZSA-N 1 0 338.455 4.240 50 0 EIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccc(Cl)cc1 ZINC000239433928 564088147 /nfs/dbraw/zinc/08/81/47/564088147.db2.gz YTJILCCPFZPZBS-IEBWSBKVSA-N 1 0 340.854 4.097 50 0 EIAARO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)c(F)c1 ZINC000239672745 564088223 /nfs/dbraw/zinc/08/82/23/564088223.db2.gz BVAGBFMRUZCRAY-LSCVPOLPSA-N 1 0 330.241 4.195 50 0 EIAARO c1cc(-c2cccnc2)oc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000092758619 564089123 /nfs/dbraw/zinc/08/91/23/564089123.db2.gz DOBKWPCKUSELIE-UHFFFAOYSA-N 1 0 326.440 4.265 50 0 EIAARO O=c1cc(C[NH2+][C@H]2CCCc3ccccc32)c2cc3c(cc2o1)CCC3 ZINC000006552449 564091923 /nfs/dbraw/zinc/09/19/23/564091923.db2.gz JDVWASOULQRXKN-NRFANRHFSA-N 1 0 345.442 4.449 50 0 EIAARO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000006586216 564092271 /nfs/dbraw/zinc/09/22/71/564092271.db2.gz GGOGYURSJVAMOY-XLIONFOSSA-N 1 0 336.479 4.061 50 0 EIAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000036100790 564096097 /nfs/dbraw/zinc/09/60/97/564096097.db2.gz YZGDHGICJNLWLB-JOCHJYFZSA-N 1 0 341.495 4.093 50 0 EIAARO Cc1ccc(NCc2cccc3c2C[N@H+](C[C@H]2CCCO2)C3)cc1C ZINC000006745710 564096928 /nfs/dbraw/zinc/09/69/28/564096928.db2.gz QBKLSAPLEXQDDS-OAQYLSRUSA-N 1 0 336.479 4.410 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000169678662 564098116 /nfs/dbraw/zinc/09/81/16/564098116.db2.gz NJDZQVWFUNLYOV-VQIMIIECSA-N 1 0 347.886 4.380 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1C ZINC000169681684 564098203 /nfs/dbraw/zinc/09/82/03/564098203.db2.gz WCNOVDSGSGRTIE-PZJWPPBQSA-N 1 0 341.495 4.344 50 0 EIAARO CC(C)CCc1nc(CN2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000065041113 564100045 /nfs/dbraw/zinc/10/00/45/564100045.db2.gz PDVZPRIZUUNNQA-UHFFFAOYSA-N 1 0 335.561 4.182 50 0 EIAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000065154888 564102081 /nfs/dbraw/zinc/10/20/81/564102081.db2.gz UUHSKJCETPXMJX-UHFFFAOYSA-N 1 0 327.378 4.057 50 0 EIAARO CCn1c2ncccc2nc1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000065285321 564104295 /nfs/dbraw/zinc/10/42/95/564104295.db2.gz YOHYWDQQBKFCLN-HNNXBMFYSA-N 1 0 340.858 4.094 50 0 EIAARO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000170601625 564109362 /nfs/dbraw/zinc/10/93/62/564109362.db2.gz AZNDSWXVZQQKBH-UZLBHIALSA-N 1 0 346.434 4.247 50 0 EIAARO CCC[N@@H+](Cc1ccccc1OCC(OCC)OCC)CC1CC1 ZINC000170601648 564109370 /nfs/dbraw/zinc/10/93/70/564109370.db2.gz TXBUINMUNFHGBT-UHFFFAOYSA-N 1 0 335.488 4.087 50 0 EIAARO C[N@H+](CCCc1ccc(OC(F)(F)F)cc1)CCc1ccncc1 ZINC000170616090 564110092 /nfs/dbraw/zinc/11/00/92/564110092.db2.gz NZGPDZPBGIEXDD-UHFFFAOYSA-N 1 0 338.373 4.087 50 0 EIAARO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cc2)cc1O ZINC000042275282 564110805 /nfs/dbraw/zinc/11/08/05/564110805.db2.gz UEUVTFOFBANPQW-NSHDSACASA-N 1 0 336.229 4.014 50 0 EIAARO O[C@H](C[NH+]1CCC(OCc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000042683973 564111075 /nfs/dbraw/zinc/11/10/75/564111075.db2.gz VNPWEJHXTBZLEZ-HXUWFJFHSA-N 1 0 345.870 4.055 50 0 EIAARO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc2ccccc21 ZINC000017113369 564116467 /nfs/dbraw/zinc/11/64/67/564116467.db2.gz DIJUYSHEKLLUFO-OAQYLSRUSA-N 1 0 349.474 4.490 50 0 EIAARO Cc1c(Cl)cccc1NC(=S)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000252457298 564118590 /nfs/dbraw/zinc/11/85/90/564118590.db2.gz WESHCXQQFSZURC-CHWSQXEVSA-N 1 0 339.936 4.198 50 0 EIAARO C[N@H+](Cc1ccncc1Cl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348807738 564120672 /nfs/dbraw/zinc/12/06/72/564120672.db2.gz JYPCLZQOMKZVJK-WMZOPIPTSA-N 1 0 334.822 4.226 50 0 EIAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2c(c1)CCC2 ZINC000007850175 564124239 /nfs/dbraw/zinc/12/42/39/564124239.db2.gz UIHRRHNEWUSNRO-UHFFFAOYSA-N 1 0 348.490 4.091 50 0 EIAARO COc1cccc(OC)c1OCCCCCC[NH2+]Cc1ccco1 ZINC000002282040 564130224 /nfs/dbraw/zinc/13/02/24/564130224.db2.gz MZMURMMNVUIRNT-UHFFFAOYSA-N 1 0 333.428 4.026 50 0 EIAARO CCSCc1ccc2oc(C(=O)OCC[NH+](CC)CC)cc2c1 ZINC000002335263 564132389 /nfs/dbraw/zinc/13/23/89/564132389.db2.gz FYCFSLAYGZBWCD-UHFFFAOYSA-N 1 0 335.469 4.185 50 0 EIAARO Cc1cc(N[C@@H](C)CCCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000095945474 564142195 /nfs/dbraw/zinc/14/21/95/564142195.db2.gz OIXJJQWLENGPLZ-AWEZNQCLSA-N 1 0 332.410 4.468 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccnc1 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0 334.419 4.217 50 0 EIAARO CCCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCC2)c2ccccc2)cc1 ZINC000001817887 209796753 /nfs/dbraw/zinc/79/67/53/209796753.db2.gz PRFDGICCQOULOE-FGZHOGPDSA-N 1 0 339.479 4.388 50 0 EIAARO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2Cl)cc1 ZINC000040105794 213265772 /nfs/dbraw/zinc/26/57/72/213265772.db2.gz ZTTLUDKOIBEDKQ-MOPGFXCFSA-N 1 0 331.843 4.219 50 0 EIAARO CCC[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccccc1C ZINC000036031621 213057231 /nfs/dbraw/zinc/05/72/31/213057231.db2.gz MOWCCCVBRGQBCM-NRFANRHFSA-N 1 0 341.495 4.264 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1 ZINC000036031641 213057267 /nfs/dbraw/zinc/05/72/67/213057267.db2.gz XHPGQVSCFQFLCZ-ICSRJNTNSA-N 1 0 327.468 4.035 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1C ZINC000036031852 213056815 /nfs/dbraw/zinc/05/68/15/213056815.db2.gz VZFACIPARFSTJV-AEFFLSMTSA-N 1 0 333.497 4.097 50 0 EIAARO CC(C)c1ccc(-n2nnnc2C2([NH+]3CCCC3)CCCCC2)cc1 ZINC000035622679 213042910 /nfs/dbraw/zinc/04/29/10/213042910.db2.gz IMFYWNWAGJACGS-UHFFFAOYSA-N 1 0 339.487 4.041 50 0 EIAARO C[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000032804134 212847022 /nfs/dbraw/zinc/84/70/22/212847022.db2.gz QYBZZRGYQAVPPA-GOSISDBHSA-N 1 0 348.490 4.045 50 0 EIAARO c1coc(-c2cccc(C[N@H+]3CCCN(Cc4ccncc4)CC3)c2)c1 ZINC000072149120 216036992 /nfs/dbraw/zinc/03/69/92/216036992.db2.gz GMVZRTFVGWCPIG-UHFFFAOYSA-N 1 0 347.462 4.050 50 0 EIAARO CC(C)(C)[NH2+]CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000028904408 212642966 /nfs/dbraw/zinc/64/29/66/212642966.db2.gz PQYBYRUZDWNDNY-UHFFFAOYSA-N 1 0 332.831 4.459 50 0 EIAARO C[NH+](C)Cc1ccccc1Cn1ccnc1-c1ccc(O)c(Cl)c1 ZINC000072411312 216204307 /nfs/dbraw/zinc/20/43/07/216204307.db2.gz LGPGNIRFSLZKIV-UHFFFAOYSA-N 1 0 341.842 4.019 50 0 EIAARO Cc1ccc([C@H](Cn2ccnc2-c2cccc(F)c2F)[NH+](C)C)o1 ZINC000072419998 216209138 /nfs/dbraw/zinc/20/91/38/216209138.db2.gz IARVUPQUWTYGAR-HNNXBMFYSA-N 1 0 331.366 4.033 50 0 EIAARO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000023258733 212364887 /nfs/dbraw/zinc/36/48/87/212364887.db2.gz PSRJFLXGMZJYKF-UHFFFAOYSA-N 1 0 340.250 4.343 50 0 EIAARO c1cc2c(s1)CC[N@@H+](Cc1c[nH]nc1-c1cc3ccccc3o1)C2 ZINC000023192459 212359710 /nfs/dbraw/zinc/35/97/10/212359710.db2.gz RBLBNWJSWGVPFJ-UHFFFAOYSA-N 1 0 335.432 4.443 50 0 EIAARO CC1(C)CC(Nc2ncc(C(F)(F)F)cc2Cl)CC(C)(C)[NH2+]1 ZINC000022357221 212293103 /nfs/dbraw/zinc/29/31/03/212293103.db2.gz LIEWXPLTMHDGTF-UHFFFAOYSA-N 1 0 335.801 4.475 50 0 EIAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000216111649 241167729 /nfs/dbraw/zinc/16/77/29/241167729.db2.gz KLLQXYDMVSOXJS-HNNXBMFYSA-N 1 0 340.858 4.001 50 0 EIAARO c1cnn(CCC2CC[NH+](Cc3ccc([C@H]4CCCO4)s3)CC2)c1 ZINC000215625392 241136328 /nfs/dbraw/zinc/13/63/28/241136328.db2.gz DGBPKTLXPJHIAB-GOSISDBHSA-N 1 0 345.512 4.098 50 0 EIAARO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)(C)C ZINC000225589227 241938994 /nfs/dbraw/zinc/93/89/94/241938994.db2.gz TZYZPXVDMGFXCH-INIZCTEOSA-N 1 0 345.487 4.197 50 0 EIAARO Cc1ccccc1NC(=O)N1CCC(C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000021718170 212242930 /nfs/dbraw/zinc/24/29/30/212242930.db2.gz AUIIVFQZYLSSHN-IAGOWNOFSA-N 1 0 343.515 4.217 50 0 EIAARO C[C@H]1C[C@H](C)C[NH+](CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000021718221 212242547 /nfs/dbraw/zinc/24/25/47/212242547.db2.gz PUMGQWDXGSATSH-HOTGVXAUSA-N 1 0 347.478 4.048 50 0 EIAARO COc1ccc([C@@](C)(O)[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000021169967 212214399 /nfs/dbraw/zinc/21/43/99/212214399.db2.gz PUNVHTFMJIWTCK-FCHUYYIVSA-N 1 0 339.479 4.172 50 0 EIAARO O=C(Cc1ccc(Cl)cc1)N1CCCC[C@@H]1CC[NH+]1CCCCC1 ZINC000021170622 212214018 /nfs/dbraw/zinc/21/40/18/212214018.db2.gz YAEIKIWUTSVPSN-LJQANCHMSA-N 1 0 348.918 4.140 50 0 EIAARO CSc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)cc1 ZINC000020994904 212196847 /nfs/dbraw/zinc/19/68/47/212196847.db2.gz XQOHQBPNPHAOTQ-GOSISDBHSA-N 1 0 344.499 4.302 50 0 EIAARO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH+]1CCSCC1 ZINC000020777296 212169702 /nfs/dbraw/zinc/16/97/02/212169702.db2.gz ZSTZCJRXYMBQGO-UHFFFAOYSA-N 1 0 335.476 4.293 50 0 EIAARO Clc1ccc([C@H](CC[NH+]2CCOCC2)Cc2ccccc2)cc1 ZINC000020517940 212142086 /nfs/dbraw/zinc/14/20/86/212142086.db2.gz CFCRKTBHCVUJHX-LJQANCHMSA-N 1 0 329.871 4.389 50 0 EIAARO CCCCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020026993 212094496 /nfs/dbraw/zinc/09/44/96/212094496.db2.gz IPFAFWZYQVDDPF-UHFFFAOYSA-N 1 0 336.479 4.165 50 0 EIAARO COc1ccc(CN2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1 ZINC000019900159 212080900 /nfs/dbraw/zinc/08/09/00/212080900.db2.gz FRBFOVICXRVYEY-UHFFFAOYSA-N 1 0 346.474 4.166 50 0 EIAARO COc1ccccc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019841191 212073999 /nfs/dbraw/zinc/07/39/99/212073999.db2.gz ZOCJNYNVLWEANM-UHFFFAOYSA-N 1 0 346.474 4.166 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)ccc1F ZINC000019837854 212073824 /nfs/dbraw/zinc/07/38/24/212073824.db2.gz QCZPOJIWCIMVMD-INIZCTEOSA-N 1 0 345.462 4.136 50 0 EIAARO Fc1cccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019781858 212065791 /nfs/dbraw/zinc/06/57/91/212065791.db2.gz NNLSLGPEMKLVDK-UHFFFAOYSA-N 1 0 334.438 4.297 50 0 EIAARO Brc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1 ZINC000019376167 212024600 /nfs/dbraw/zinc/02/46/00/212024600.db2.gz HPHJFDGJKPJDGN-MRXNPFEDSA-N 1 0 327.225 4.166 50 0 biogenic EIAARO COc1cccc(CN2CC[NH+](Cc3cccc4ccccc43)CC2)c1 ZINC000019366697 212023160 /nfs/dbraw/zinc/02/31/60/212023160.db2.gz YVUAGUHPSNOCLJ-UHFFFAOYSA-N 1 0 346.474 4.166 50 0 EIAARO Cc1ccc(C[NH+]2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000019361458 212021105 /nfs/dbraw/zinc/02/11/05/212021105.db2.gz VLOLDCVHFBJWEG-UHFFFAOYSA-N 1 0 348.412 4.332 50 0 EIAARO O[C@](C[NH2+]Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000019205325 212003820 /nfs/dbraw/zinc/00/38/20/212003820.db2.gz BZQIGMCVUWHUJG-OAQYLSRUSA-N 1 0 337.850 4.366 50 0 EIAARO CC[NH+](CC)C[C@H](Cn1c2ccccc2c2ccccc21)OC(C)=O ZINC000016839778 211936983 /nfs/dbraw/zinc/93/69/83/211936983.db2.gz VEPHTFQHPLUECZ-QGZVFWFLSA-N 1 0 338.451 4.068 50 0 EIAARO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000015836758 211858792 /nfs/dbraw/zinc/85/87/92/211858792.db2.gz LVWAISJYXMWFBO-GOSISDBHSA-N 1 0 341.451 4.358 50 0 EIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](CCCC(F)(F)F)C1 ZINC000012507317 211394382 /nfs/dbraw/zinc/39/43/82/211394382.db2.gz YXWZFJDIKZHRQM-QGZVFWFLSA-N 1 0 329.406 4.036 50 0 EIAARO O=C(CSc1ccccc1)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012455626 211386422 /nfs/dbraw/zinc/38/64/22/211386422.db2.gz YKJSKIVKRQGNCL-QGZVFWFLSA-N 1 0 346.540 4.082 50 0 EIAARO CC[N@H+](CC=C(C)C)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012442648 211383066 /nfs/dbraw/zinc/38/30/66/211383066.db2.gz JHTMWRWEWLSFKH-FQEVSTJZSA-N 1 0 332.507 4.368 50 0 EIAARO COC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000012316294 211345051 /nfs/dbraw/zinc/34/50/51/211345051.db2.gz XNSOIFLKRNEHPJ-QGZVFWFLSA-N 1 0 347.462 4.212 50 0 EIAARO C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c(OC)c1 ZINC000012374328 211358127 /nfs/dbraw/zinc/35/81/27/211358127.db2.gz FPASBUHPYSLGMT-IJDCCNJMSA-N 1 0 349.515 4.272 50 0 EIAARO CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000012199444 211318522 /nfs/dbraw/zinc/31/85/22/211318522.db2.gz HOHWMPCMYYABCF-FQEVSTJZSA-N 1 0 338.451 4.175 50 0 EIAARO Clc1cccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)c1 ZINC000012206819 211320597 /nfs/dbraw/zinc/32/05/97/211320597.db2.gz XPRHMSMGSWXMTI-ZFWWWQNUSA-N 1 0 331.847 4.402 50 0 EIAARO CC(C)CC[N@@H+]1CCOc2ccc([C@H](O)Cc3ccccc3)cc2C1 ZINC000012056735 211284995 /nfs/dbraw/zinc/28/49/95/211284995.db2.gz SESUMCSDUDVXQZ-OAQYLSRUSA-N 1 0 339.479 4.203 50 0 EIAARO CN(c1ncccc1C[NH2+]C[C@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000011873150 211261696 /nfs/dbraw/zinc/26/16/96/211261696.db2.gz RPMDOCDBPZXXIH-KRWDZBQOSA-N 1 0 345.531 4.145 50 0 EIAARO COCC[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(C)c2)oc1C ZINC000011718877 211240092 /nfs/dbraw/zinc/24/00/92/211240092.db2.gz FYERAAVSWLGYKM-GOSISDBHSA-N 1 0 328.456 4.349 50 0 EIAARO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2COC)c(C)o1 ZINC000011815046 211249811 /nfs/dbraw/zinc/24/98/11/211249811.db2.gz KANNDGAOGXSFSP-MRXNPFEDSA-N 1 0 344.455 4.050 50 0 EIAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000011789668 211248067 /nfs/dbraw/zinc/24/80/67/211248067.db2.gz BTCAZSBHECJVBP-KRWDZBQOSA-N 1 0 336.483 4.469 50 0 EIAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cc(C)cc(C)c1 ZINC000011752829 211243129 /nfs/dbraw/zinc/24/31/29/211243129.db2.gz MGUDDHHQCQMLLE-FPOVZHCZSA-N 1 0 334.463 4.060 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000011612255 211225290 /nfs/dbraw/zinc/22/52/90/211225290.db2.gz MMIRJOKAHDIIIE-LVCYWYKZSA-N 1 0 339.479 4.071 50 0 EIAARO c1cn(Cc2cscn2)c(C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000092022720 218105724 /nfs/dbraw/zinc/10/57/24/218105724.db2.gz BUVIUQVHPSPLCR-UHFFFAOYSA-N 1 0 344.528 4.148 50 0 EIAARO Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)C2CC2)cc1 ZINC000010351400 211166722 /nfs/dbraw/zinc/16/67/22/211166722.db2.gz PUULBRQUVRGLCM-YJYMSZOUSA-N 1 0 344.405 4.341 50 0 EIAARO CC(=O)Nc1ccc(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000095351116 218286013 /nfs/dbraw/zinc/28/60/13/218286013.db2.gz LQHAXQKJRFKEHW-CXAGYDPISA-N 1 0 342.464 4.115 50 0 EIAARO O=C(Nc1ccccc1F)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063206 211038131 /nfs/dbraw/zinc/03/81/31/211038131.db2.gz JUDMXEMCZSTWSX-UHFFFAOYSA-N 1 0 346.833 4.330 50 0 EIAARO CC(C)c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3CC3CCC3)C2)cc1 ZINC000095356142 218289050 /nfs/dbraw/zinc/28/90/50/218289050.db2.gz SDNZOAXASNOQOC-WIYYLYMNSA-N 1 0 340.511 4.147 50 0 EIAARO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)o1 ZINC000095419411 218359558 /nfs/dbraw/zinc/35/95/58/218359558.db2.gz NOZQKQSGAGPWKX-HZPDHXFCSA-N 1 0 339.439 4.312 50 0 EIAARO c1ccc2c(c1)SCC[C@@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000095419986 218360674 /nfs/dbraw/zinc/36/06/74/218360674.db2.gz MELBNFFEAWBGOV-KRWDZBQOSA-N 1 0 325.481 4.009 50 0 EIAARO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cn1 ZINC000095420610 218362295 /nfs/dbraw/zinc/36/22/95/218362295.db2.gz JWGXPNYWUHXCDJ-SFHVURJKSA-N 1 0 338.842 4.006 50 0 EIAARO CC(C)n1cc([C@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000095421354 218362708 /nfs/dbraw/zinc/36/27/08/218362708.db2.gz OQAGHVNAUXWCNE-DLBZAZTESA-N 1 0 346.544 4.088 50 0 EIAARO COc1ccccc1[C@H](C)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000095421653 218364167 /nfs/dbraw/zinc/36/41/67/218364167.db2.gz KTSCLZSBZYGSNT-HUUCEWRRSA-N 1 0 326.440 4.108 50 0 EIAARO c1nc2ccccn2c1CNc1cc(CC2CC2)nn1-c1ccccc1 ZINC000095455315 218398296 /nfs/dbraw/zinc/39/82/96/218398296.db2.gz GMORKMJEEFCHME-UHFFFAOYSA-N 1 0 343.434 4.085 50 0 EIAARO Fc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3nccs3)CC1)CCS2 ZINC000095972818 218477028 /nfs/dbraw/zinc/47/70/28/218477028.db2.gz UJFUUQKGDPPHPT-OAHLLOKOSA-N 1 0 349.500 4.078 50 0 EIAARO COc1ccc(C[NH2+][C@H](CCSC)c2nc3ccccc3[nH]2)cc1 ZINC000006652396 210670459 /nfs/dbraw/zinc/67/04/59/210670459.db2.gz ZCRBTLZFDSYBPL-GOSISDBHSA-N 1 0 341.480 4.156 50 0 EIAARO FC(F)(F)c1cccc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000004985966 210349467 /nfs/dbraw/zinc/34/94/67/210349467.db2.gz UZSKWOYRSUIYAW-UHFFFAOYSA-N 1 0 326.406 4.156 50 0 EIAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004978031 210346671 /nfs/dbraw/zinc/34/66/71/210346671.db2.gz LWFQOCDKPRJZQE-GOSISDBHSA-N 1 0 339.435 4.254 50 0 EIAARO CC[NH+](CC)CCn1c(-c2ccccc2)cn2c3ccccc3nc21 ZINC000004793246 210278985 /nfs/dbraw/zinc/27/89/85/210278985.db2.gz FYCHAUWGZCSFGR-UHFFFAOYSA-N 1 0 332.451 4.298 50 0 EIAARO CCOc1ccc(CN2CCC([NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004745730 210268968 /nfs/dbraw/zinc/26/89/68/210268968.db2.gz KGURGDPFABWGJD-ROUUACIJSA-N 1 0 330.516 4.028 50 0 EIAARO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1CCC(F)(F)CC1 ZINC000179365224 257953693 /nfs/dbraw/zinc/95/36/93/257953693.db2.gz XWAQMRJUYHBDID-UHFFFAOYSA-N 1 0 336.426 4.355 50 0 EIAARO CCSCCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299774930 258085629 /nfs/dbraw/zinc/08/56/29/258085629.db2.gz JEDKLWGGXUTYNB-BBWFWOEESA-N 1 0 343.496 4.058 50 0 EIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1c(Cl)cccc1Cl ZINC000002171837 258049588 /nfs/dbraw/zinc/04/95/88/258049588.db2.gz OAAGFPCQIUVWSN-GFCCVEGCSA-N 1 0 344.286 4.379 50 0 EIAARO c1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)cc1 ZINC000299768428 258082600 /nfs/dbraw/zinc/08/26/00/258082600.db2.gz VCBNILFPGXSXNK-ZCNNSNEGSA-N 1 0 345.446 4.353 50 0 EIAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2nc3ccccc3s2)C1 ZINC000241466159 523645442 /nfs/dbraw/zinc/64/54/42/523645442.db2.gz NVFGKXYPOQYVPS-PRBDWKGHSA-N 1 0 336.526 4.027 50 0 EIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000000237467 563264053 /nfs/dbraw/zinc/26/40/53/563264053.db2.gz SBRUMGZRIDBGMG-CQSZACIVSA-N 1 0 343.298 4.074 50 0 EIAARO C[NH+](C)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000000181760 563254396 /nfs/dbraw/zinc/25/43/96/563254396.db2.gz ARHYCXNCAGKFGX-UHFFFAOYSA-N 1 0 332.856 4.421 50 0 biogenic EIAARO CC(C)(C)c1nc(CN2CCCCC2)cc(C[NH+]2CCCCC2)c1O ZINC000000186649 563255499 /nfs/dbraw/zinc/25/54/99/563255499.db2.gz YYNYGLXURQQEQG-UHFFFAOYSA-N 1 0 345.531 4.057 50 0 EIAARO CC(C)(C)[NH2+]CCn1c(-c2ccccc2)cn2c3ccccc3nc21 ZINC000000302062 563276098 /nfs/dbraw/zinc/27/60/98/563276098.db2.gz JFDMMYNNKRNPHT-UHFFFAOYSA-N 1 0 332.451 4.344 50 0 EIAARO CCOCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000002178110 563425470 /nfs/dbraw/zinc/42/54/70/563425470.db2.gz DHHHXLKGKKHCHV-UHFFFAOYSA-N 1 0 333.859 4.435 50 0 EIAARO Clc1cccc(N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c1 ZINC000004981343 563517346 /nfs/dbraw/zinc/51/73/46/563517346.db2.gz DHGMGNFVRUHFCL-HXUWFJFHSA-N 1 0 326.871 4.020 50 0 EIAARO C[C@H](O)C[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000005323451 563526863 /nfs/dbraw/zinc/52/68/63/563526863.db2.gz NJNLXENWMKKLLB-HNNXBMFYSA-N 1 0 339.410 4.028 50 0 EIAARO CCCOc1ccc([C@@H](C[NH3+])c2c[nH]c3ccccc32)cc1OCC ZINC000006645702 563575919 /nfs/dbraw/zinc/57/59/19/563575919.db2.gz NYFBITYSOMRRBO-QGZVFWFLSA-N 1 0 338.451 4.446 50 0 EIAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccc(F)cc3)o2)cc1 ZINC000007541086 563605549 /nfs/dbraw/zinc/60/55/49/563605549.db2.gz DXKSNQHSLNEPAP-AWEZNQCLSA-N 1 0 325.383 4.429 50 0 EIAARO Cc1cccc([N+]2=C3CCCCCN3[C@](O)(c3cccs3)C2)c1C ZINC000002974520 563623473 /nfs/dbraw/zinc/62/34/73/563623473.db2.gz GJLQMYFXFJNQSK-HXUWFJFHSA-N 1 0 341.500 4.015 50 0 EIAARO O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCCc2ccccc21 ZINC000010691481 563648780 /nfs/dbraw/zinc/64/87/80/563648780.db2.gz RSGKZGLVLTXSOD-UHFFFAOYSA-N 1 0 334.463 4.266 50 0 EIAARO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+](Cc2ccccc2F)C1 ZINC000012714078 563668643 /nfs/dbraw/zinc/66/86/43/563668643.db2.gz CDUBNQKRKHMBBP-HXUWFJFHSA-N 1 0 347.861 4.296 50 0 EIAARO Cn1c(C[NH2+][C@@H](Cc2ccccn2)c2ccccc2)nc2ccccc21 ZINC000359154465 563730970 /nfs/dbraw/zinc/73/09/70/563730970.db2.gz OIEAVWQFKYNBIH-FQEVSTJZSA-N 1 0 342.446 4.042 50 0 EIAARO O=C(CCc1ccccc1F)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000014968760 563769138 /nfs/dbraw/zinc/76/91/38/563769138.db2.gz BHDBPGZSBFYIOJ-GOSISDBHSA-N 1 0 346.490 4.062 50 0 EIAARO COCc1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)o1 ZINC000015076162 563776388 /nfs/dbraw/zinc/77/63/88/563776388.db2.gz OYLMSOZYPOBJJL-GOSISDBHSA-N 1 0 328.456 4.119 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccsc1)c1ccccc1Cl ZINC000032903426 563789198 /nfs/dbraw/zinc/78/91/98/563789198.db2.gz SXNYDIHRNUMTDP-INIZCTEOSA-N 1 0 336.888 4.214 50 0 EIAARO C[NH+]1CCC(NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000016603142 563816408 /nfs/dbraw/zinc/81/64/08/563816408.db2.gz IZIQUHCQWHXDIB-UHFFFAOYSA-N 1 0 343.279 4.032 50 0 EIAARO CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000069878314 563866899 /nfs/dbraw/zinc/86/68/99/563866899.db2.gz JFCCOTOHFRXGDV-KRWDZBQOSA-N 1 0 340.492 4.227 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1occc1-c1ccccc1)c1ccsc1 ZINC000025332190 563883698 /nfs/dbraw/zinc/88/36/98/563883698.db2.gz FFFCIFLFVFRLRK-QGZVFWFLSA-N 1 0 340.448 4.041 50 0 EIAARO C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccc2ccccc2c1 ZINC000025679503 563887349 /nfs/dbraw/zinc/88/73/49/563887349.db2.gz VYWKZAWLKBNXNB-UHFFFAOYSA-N 1 0 336.410 4.440 50 0 EIAARO COc1cccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)c1 ZINC000027222512 563894863 /nfs/dbraw/zinc/89/48/63/563894863.db2.gz VTMURGWGJZTGJW-NRFANRHFSA-N 1 0 347.462 4.107 50 0 EIAARO Fc1ccc(C[NH2+][C@H]2CCCc3c2cnn3Cc2ccccc2)cc1 ZINC000027222583 563894957 /nfs/dbraw/zinc/89/49/57/563894957.db2.gz KMEOCVZWLYKPBM-FQEVSTJZSA-N 1 0 335.426 4.238 50 0 EIAARO Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)c1 ZINC000027581288 563896872 /nfs/dbraw/zinc/89/68/72/563896872.db2.gz SYJIIRMUXINVCN-IBGZPJMESA-N 1 0 342.870 4.215 50 0 EIAARO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)c1 ZINC000027582040 563897210 /nfs/dbraw/zinc/89/72/10/563897210.db2.gz PZCPZPZBJAZLGJ-KRWDZBQOSA-N 1 0 328.481 4.014 50 0 EIAARO Cc1cccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c1 ZINC000028291499 563902189 /nfs/dbraw/zinc/90/21/89/563902189.db2.gz YXNWDXDZDZMYCQ-SFHVURJKSA-N 1 0 342.508 4.260 50 0 EIAARO Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)cc1Cl ZINC000029482567 563906535 /nfs/dbraw/zinc/90/65/35/563906535.db2.gz NNRIVKBJEVNGQY-SFHVURJKSA-N 1 0 328.843 4.206 50 0 EIAARO C[C@@H](Cc1cccs1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000033206058 563915413 /nfs/dbraw/zinc/91/54/13/563915413.db2.gz SAVLKROSEDOSDN-INIZCTEOSA-N 1 0 342.508 4.095 50 0 EIAARO COc1cc(OC)c(C[NH2+][C@H]2CCCC[C@H]2C)cc1Br ZINC000000183551 563917026 /nfs/dbraw/zinc/91/70/26/563917026.db2.gz AREXKMGOXFFPOL-RISCZKNCSA-N 1 0 342.277 4.135 50 0 EIAARO Cc1cc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc(C)c1Cl ZINC000002674786 563918056 /nfs/dbraw/zinc/91/80/56/563918056.db2.gz ZCYYUSJJSWGWPN-NVXWUHKLSA-N 1 0 333.859 4.047 50 0 EIAARO CC1CC[NH+](CCCNC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000071805234 563922534 /nfs/dbraw/zinc/92/25/34/563922534.db2.gz JVIMFXFRLASGLK-UHFFFAOYSA-N 1 0 344.286 4.237 50 0 EIAARO Brc1cc(Cc2ccccc2)ccc1OC[C@H]1CC[NH2+]C1 ZINC000042770244 563924776 /nfs/dbraw/zinc/92/47/76/563924776.db2.gz BVKVUSKTVDHRLV-INIZCTEOSA-N 1 0 346.268 4.028 50 0 EIAARO Cc1cc(OCC2CC[NH2+]CC2)c(Br)c(C)c1Cl ZINC000042774454 563924941 /nfs/dbraw/zinc/92/49/41/563924941.db2.gz NFGLVBFWUFUGSQ-UHFFFAOYSA-N 1 0 332.669 4.098 50 0 EIAARO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000044856398 563927185 /nfs/dbraw/zinc/92/71/85/563927185.db2.gz GHUNDMFORQYXGM-SFHVURJKSA-N 1 0 336.479 4.390 50 0 EIAARO Fc1ccc(C2([NH2+]Cc3nc4ccccc4s3)CCOCC2)cc1 ZINC000071886845 563930048 /nfs/dbraw/zinc/93/00/48/563930048.db2.gz MTWOYYMSPGKIEC-UHFFFAOYSA-N 1 0 342.439 4.231 50 0 EIAARO O=C(C[NH2+]Cc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000057462818 563935578 /nfs/dbraw/zinc/93/55/78/563935578.db2.gz JPBKNUDDZYTAGR-UHFFFAOYSA-N 1 0 332.403 4.207 50 0 EIAARO CSc1cccc(NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000058152351 563937900 /nfs/dbraw/zinc/93/79/00/563937900.db2.gz XXLIMTWNZXENOG-QGZVFWFLSA-N 1 0 335.517 4.041 50 0 EIAARO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(Br)c1 ZINC000058412070 563945244 /nfs/dbraw/zinc/94/52/44/563945244.db2.gz QDCKNLCKXWVZTG-GOSISDBHSA-N 1 0 348.284 4.395 50 0 EIAARO COc1cccc([C@@H]2CC[N@@H+]2CCC(=O)Nc2cc(C)ccc2C)c1 ZINC000065461736 563961145 /nfs/dbraw/zinc/96/11/45/563961145.db2.gz YXQXOYIYJSFEIK-FQEVSTJZSA-N 1 0 338.451 4.088 50 0 EIAARO CCCCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000060468676 563963688 /nfs/dbraw/zinc/96/36/88/563963688.db2.gz SZXZMIJDZHXOLW-CQSZACIVSA-N 1 0 338.442 4.044 50 0 EIAARO Cc1[nH]cnc1-c1nccn1C[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000071385594 563964258 /nfs/dbraw/zinc/96/42/58/563964258.db2.gz OHIKKRXBPHIYAU-LJQANCHMSA-N 1 0 349.482 4.199 50 0 EIAARO Cc1cnc(CN[C@H](C)c2ccc(Oc3cccnc3)c(F)c2)o1 ZINC000097230694 563970685 /nfs/dbraw/zinc/97/06/85/563970685.db2.gz PGFHXWQUKHPFAQ-CYBMUJFWSA-N 1 0 327.359 4.160 50 0 EIAARO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)cc2cccnc21 ZINC000097046560 563971655 /nfs/dbraw/zinc/97/16/55/563971655.db2.gz YXRHAYOBZWPFSQ-UHFFFAOYSA-N 1 0 338.382 4.125 50 0 EIAARO Cc1c[nH+]ccc1N1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082107042 563972306 /nfs/dbraw/zinc/97/23/06/563972306.db2.gz SXYDHSIBVQLYJT-IBGZPJMESA-N 1 0 332.451 4.019 50 0 EIAARO Fc1ccccc1CN1CC[C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)C[C@H]21 ZINC000082115988 563972437 /nfs/dbraw/zinc/97/24/37/563972437.db2.gz AEMFAUOVPSOGLJ-SIKLNZKXSA-N 1 0 349.453 4.013 50 0 EIAARO Cc1cc(C)cc(NC(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000033312153 563973562 /nfs/dbraw/zinc/97/35/62/563973562.db2.gz LHVVHHLECOCEEK-INIZCTEOSA-N 1 0 343.515 4.279 50 0 EIAARO CCc1ccc(NC(=O)N2CCC(C[N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000033312147 563973585 /nfs/dbraw/zinc/97/35/85/563973585.db2.gz RNXQSACJTXYHQJ-KRWDZBQOSA-N 1 0 343.515 4.225 50 0 EIAARO CCc1nc2ccccc2c(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000000104396 563973834 /nfs/dbraw/zinc/97/38/34/563973834.db2.gz NHHBLYXTJNNTMJ-HUUCEWRRSA-N 1 0 339.483 4.022 50 0 EIAARO FC(F)(F)c1cccc([C@H](c2ccccc2)N2CCC[NH2+]CC2)c1 ZINC000095470213 563976972 /nfs/dbraw/zinc/97/69/72/563976972.db2.gz PLUYUVZBMJJFKL-SFHVURJKSA-N 1 0 334.385 4.090 50 0 EIAARO COc1cc(Br)c(C[NH2+]C2CCCCCC2)cc1OC ZINC000000293473 563990300 /nfs/dbraw/zinc/99/03/00/563990300.db2.gz DHPQBIITAKKENX-UHFFFAOYSA-N 1 0 342.277 4.279 50 0 EIAARO C[C@@H]1CCCC[C@@H]1[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000000300540 563990812 /nfs/dbraw/zinc/99/08/12/563990812.db2.gz XCNCPQPAEDAPFL-UTKZUKDTSA-N 1 0 336.479 4.176 50 0 EIAARO CC(C)c1ccc(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000044263427 563994960 /nfs/dbraw/zinc/99/49/60/563994960.db2.gz VXYSMYVPOBQQAX-UHFFFAOYSA-N 1 0 330.516 4.168 50 0 EIAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1Cl ZINC000248080495 563995140 /nfs/dbraw/zinc/99/51/40/563995140.db2.gz PLCBAAFOBRUHFI-VQIMIIECSA-N 1 0 340.854 4.097 50 0 EIAARO Cc1cc2c(ncnc2N[C@H]2CC[C@H](Nc3ccccn3)CC2)s1 ZINC000253427274 563999217 /nfs/dbraw/zinc/99/92/17/563999217.db2.gz DVHRAUSAWUMQMB-HDJSIYSDSA-N 1 0 339.468 4.230 50 0 EIAARO Cc1ccc([C@H]2CCCN2Cc2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000270643682 563999296 /nfs/dbraw/zinc/99/92/96/563999296.db2.gz SEMCMYRXIHHKPJ-CYBMUJFWSA-N 1 0 343.452 4.252 50 0 EIAARO C[NH+](C)C[C@H]1CCCC[C@H]1OC(=O)c1ccc(Cl)cc1Cl ZINC000005573671 564005748 /nfs/dbraw/zinc/00/57/48/564005748.db2.gz ZUSLYFXPBPWQOH-IAQYHMDHSA-N 1 0 330.255 4.271 50 0 EIAARO CN(C)C(=O)c1cccc(C[NH2+][C@H](c2cccc(F)c2)C(C)(C)C)c1 ZINC000181073179 564013773 /nfs/dbraw/zinc/01/37/73/564013773.db2.gz OJXQQAQDBJMJDM-LJQANCHMSA-N 1 0 342.458 4.405 50 0 EIAARO O=C(Nc1ccc2c(c1)oc1ccccc12)NC1CC[NH+](C2CC2)CC1 ZINC000048328914 564031155 /nfs/dbraw/zinc/03/11/55/564031155.db2.gz FRSDJUVWHIDLEU-UHFFFAOYSA-N 1 0 349.434 4.334 50 0 EIAARO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000048709599 564032094 /nfs/dbraw/zinc/03/20/94/564032094.db2.gz GKEGQBZULHSFQH-LBPRGKRZSA-N 1 0 330.378 4.164 50 0 EIAARO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC000095967973 564034045 /nfs/dbraw/zinc/03/40/45/564034045.db2.gz UUVHILTUIKMJJT-CYBMUJFWSA-N 1 0 346.496 4.471 50 0 EIAARO Cc1cccc(C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c(=O)c3C2)c1 ZINC000033129303 564036457 /nfs/dbraw/zinc/03/64/57/564036457.db2.gz XGFABYHRLDGSEH-UHFFFAOYSA-N 1 0 338.838 4.048 50 0 EIAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(Cl)ccc1F)c1ccccc1 ZINC000024838322 564036748 /nfs/dbraw/zinc/03/67/48/564036748.db2.gz JIONAZSFPHTVAU-GOSISDBHSA-N 1 0 348.849 4.292 50 0 EIAARO COc1cc(C[NH2+][C@H]2CCOc3ccccc32)ccc1OC(C)C ZINC000025357148 564037191 /nfs/dbraw/zinc/03/71/91/564037191.db2.gz WDCVFDQLVPPMKA-KRWDZBQOSA-N 1 0 327.424 4.096 50 0 EIAARO CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C[NH3+])cc1F ZINC000040449518 564047474 /nfs/dbraw/zinc/04/74/74/564047474.db2.gz SRCHCNGDJAHSBS-UHFFFAOYSA-N 1 0 339.414 4.316 50 0 EIAARO COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(OC)c(OC)c3)oc21 ZINC000028925819 564047642 /nfs/dbraw/zinc/04/76/42/564047642.db2.gz ISWPEKIWRPQSAZ-CYBMUJFWSA-N 1 0 341.407 4.309 50 0 EIAARO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1cccc2cc[nH]c21)C(C)(C)C ZINC000225589255 564048081 /nfs/dbraw/zinc/04/80/81/564048081.db2.gz TZYZPXVDMGFXCH-MRXNPFEDSA-N 1 0 345.487 4.197 50 0 EIAARO OCCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000247797481 564052792 /nfs/dbraw/zinc/05/27/92/564052792.db2.gz SFUOKSASXIMWFZ-UHFFFAOYSA-N 1 0 342.870 4.205 50 0 EIAARO Cc1ccc(Cn2nc(C[NH2+]C(C)(C)C)c(-c3ccccc3)n2)cc1 ZINC000248118082 564053009 /nfs/dbraw/zinc/05/30/09/564053009.db2.gz TYTKHGNFLTWZLP-UHFFFAOYSA-N 1 0 334.467 4.190 50 0 EIAARO c1ccc(COc2ccc(C[NH2+][C@H]3CCOc4ccccc43)cc2)nc1 ZINC000063508074 564057651 /nfs/dbraw/zinc/05/76/51/564057651.db2.gz OEEYIOAODUNJEF-NRFANRHFSA-N 1 0 346.430 4.274 50 0 EIAARO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)Nc1cc(F)ccc1F ZINC000012676939 564062565 /nfs/dbraw/zinc/06/25/65/564062565.db2.gz DPYLJPSTHMKXIE-SGTLLEGYSA-N 1 0 330.378 4.033 50 0 EIAARO C[NH+]1CCN(c2ccc3[nH]c(-c4cccc5ccccc54)nc3c2)CC1 ZINC000001390248 564064495 /nfs/dbraw/zinc/06/44/95/564064495.db2.gz PIYGOKKHMVMDNS-UHFFFAOYSA-N 1 0 342.446 4.135 50 0 EIAARO O=C(Nc1cccc2ncccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012762008 564067808 /nfs/dbraw/zinc/06/78/08/564067808.db2.gz OWWLYKLWEOVFPH-UHFFFAOYSA-N 1 0 345.446 4.473 50 0 EIAARO O=C(Nc1ccccc1C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccccc1F ZINC000084504688 564068356 /nfs/dbraw/zinc/06/83/56/564068356.db2.gz UAJXKPUARLARNJ-ZWKOTPCHSA-N 1 0 338.426 4.164 50 0 EIAARO C[NH+](C)CCCCC(=O)Nc1cccc(C2SCCCS2)c1 ZINC000074185990 564070630 /nfs/dbraw/zinc/07/06/30/564070630.db2.gz UDMXGUJFIRATDM-UHFFFAOYSA-N 1 0 338.542 4.226 50 0 EIAARO CC(C)[C@H](C)[N@@H+]1Cc2cccc(NCc3nnc(C(C)(C)C)o3)c2C1 ZINC000086205652 564075353 /nfs/dbraw/zinc/07/53/53/564075353.db2.gz OOHAPKSBQZRQOR-AWEZNQCLSA-N 1 0 342.487 4.339 50 0 EIAARO Clc1ccc(CSc2nnc(C3CC[NH2+]CC3)o2)cc1Cl ZINC000007997194 564083418 /nfs/dbraw/zinc/08/34/18/564083418.db2.gz DMMYHGMXQPQICH-UHFFFAOYSA-N 1 0 344.267 4.136 50 0 EIAARO Cc1cc2[nH]c(C(=O)Nc3cc(C)ccc3C)c(C[NH+](C)C)c2s1 ZINC000075487833 564087033 /nfs/dbraw/zinc/08/70/33/564087033.db2.gz FJVVCCPMCWCIRK-UHFFFAOYSA-N 1 0 341.480 4.469 50 0 EIAARO COC(=O)c1ccc(COc2ccc(C[NH2+]C3CCCC3)cc2)cc1 ZINC000006602443 564092718 /nfs/dbraw/zinc/09/27/18/564092718.db2.gz VAWSRVWEENRHKQ-UHFFFAOYSA-N 1 0 339.435 4.084 50 0 EIAARO COc1ccc([C@@H](CNc2cc(C)[nH+]c3ccccc23)[NH+](C)C)cc1 ZINC000089583108 564092953 /nfs/dbraw/zinc/09/29/53/564092953.db2.gz BJULFJUPEACFTO-OAQYLSRUSA-N 1 0 335.451 4.267 50 0 EIAARO CCc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OCC4CC4)C[C@H]23)cc1 ZINC000426436384 564093748 /nfs/dbraw/zinc/09/37/48/564093748.db2.gz BUDKPPFJYLFHLU-FDFHNCONSA-N 1 0 343.511 4.188 50 0 EIAARO Cc1cccc(C[N@H+](CCC(C)C)C[C@@H](O)COCc2ccco2)c1 ZINC000036100713 564096141 /nfs/dbraw/zinc/09/61/41/564096141.db2.gz OTAJJCAZQPBZOB-HXUWFJFHSA-N 1 0 345.483 4.014 50 0 EIAARO Cc1ccc(C)c(NC(=O)N2CCC(C[NH+]3CCCCC3)CC2)c1 ZINC000006877148 564100330 /nfs/dbraw/zinc/10/03/30/564100330.db2.gz AFLMZZMFOOHRJA-UHFFFAOYSA-N 1 0 329.488 4.033 50 0 EIAARO Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000065500025 564106562 /nfs/dbraw/zinc/10/65/62/564106562.db2.gz DRFFRXJBSMALOQ-UHFFFAOYSA-N 1 0 347.462 4.294 50 0 EIAARO Cc1nc2sc3c(c2c(NC2CC[NH+](CC(C)C)CC2)n1)CCC3 ZINC000065513886 564106719 /nfs/dbraw/zinc/10/67/19/564106719.db2.gz VOMOQSRXHGDRDQ-UHFFFAOYSA-N 1 0 344.528 4.021 50 0 EIAARO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000007448867 564108640 /nfs/dbraw/zinc/10/86/40/564108640.db2.gz VFEHEUOSPPASAP-UHFFFAOYSA-N 1 0 340.442 4.050 50 0 EIAARO Cc1ccccc1[C@@H]1CCCN1C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000170597811 564109160 /nfs/dbraw/zinc/10/91/60/564109160.db2.gz BOLDPZYHKDUMPI-QFIPXVFZSA-N 1 0 348.490 4.107 50 0 EIAARO COc1ccccc1[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000170607072 564109616 /nfs/dbraw/zinc/10/96/16/564109616.db2.gz VCADUFHQRPEDDY-LJQANCHMSA-N 1 0 337.463 4.052 50 0 EIAARO C[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1cccc(Cl)c1 ZINC000152466893 564112191 /nfs/dbraw/zinc/11/21/91/564112191.db2.gz FKRRQIJGAKBZKD-OAHLLOKOSA-N 1 0 329.875 4.050 50 0 EIAARO Cc1ccc(C[NH2+]Cc2cccc3cccnc32)c(O[C@@H]2CCOC2)c1 ZINC000089623634 564112751 /nfs/dbraw/zinc/11/27/51/564112751.db2.gz VWPOITHDBOCHOX-HXUWFJFHSA-N 1 0 348.446 4.001 50 0 EIAARO CC(C)[C@H](CNc1cc(C(F)(F)F)nc2ccccc21)[NH+](C)C ZINC000089791391 564113941 /nfs/dbraw/zinc/11/39/41/564113941.db2.gz BQCOBHXAHVARQC-HNNXBMFYSA-N 1 0 325.378 4.252 50 0 EIAARO CC(C)[C@@H](CNc1cc(C(F)(F)F)nc2ccccc21)[NH+](C)C ZINC000089791390 564113943 /nfs/dbraw/zinc/11/39/43/564113943.db2.gz BQCOBHXAHVARQC-OAHLLOKOSA-N 1 0 325.378 4.252 50 0 EIAARO c1ccc2c(c1)OC1(CCC1)C[C@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000089857757 564114284 /nfs/dbraw/zinc/11/42/84/564114284.db2.gz TWSIGSXDTBWPRQ-LJQANCHMSA-N 1 0 349.478 4.218 50 0 EIAARO C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)c1ccc(-n2cccn2)cc1 ZINC000089904942 564115065 /nfs/dbraw/zinc/11/50/65/564115065.db2.gz WEAHEUPFFJRFQE-AWEZNQCLSA-N 1 0 338.480 4.447 50 0 EIAARO O=C(C[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1ccc(F)c(Cl)c1 ZINC000076092391 564115647 /nfs/dbraw/zinc/11/56/47/564115647.db2.gz YWBLFJPCJUJSKZ-OAHLLOKOSA-N 1 0 346.833 4.330 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+](CCOCCOc2c(Cl)cccc2Cl)C1 ZINC000002822564 564116988 /nfs/dbraw/zinc/11/69/88/564116988.db2.gz QJSHTIFNZQUCQL-ZIAGYGMSSA-N 1 0 346.298 4.367 50 0 EIAARO Cc1cc(C(C)(C)C)ccc1OCCOCC[N@H+]1CCC[C@H](C)C1 ZINC000002823943 564117044 /nfs/dbraw/zinc/11/70/44/564117044.db2.gz ROWMGARRALLJRX-KRWDZBQOSA-N 1 0 333.516 4.420 50 0 EIAARO O=c1cc(C[NH+]2CCCCC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000002112468 564118059 /nfs/dbraw/zinc/11/80/59/564118059.db2.gz UBFUFMRKRXNGPA-UHFFFAOYSA-N 1 0 335.403 4.152 50 0 biogenic EIAARO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000170677577 564121407 /nfs/dbraw/zinc/12/14/07/564121407.db2.gz NXUZUKMPUTZNSE-BEFAXECRSA-N 1 0 326.440 4.030 50 0 EIAARO CCOC(=O)c1ccc2[nH+]c(C)cc(Nc3cccc(OC)c3)c2c1 ZINC000006350403 564125277 /nfs/dbraw/zinc/12/52/77/564125277.db2.gz LJIMMAPUQQLZFB-UHFFFAOYSA-N 1 0 336.391 4.472 50 0 EIAARO COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(C)s2)cc1NC(C)=O ZINC000095422779 564140157 /nfs/dbraw/zinc/14/01/57/564140157.db2.gz BJBPOYBBUPDQGU-TZMCWYRMSA-N 1 0 346.496 4.305 50 0 EIAARO C[C@H](OC(=O)CCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095468923 564141191 /nfs/dbraw/zinc/14/11/91/564141191.db2.gz BWDJRPHDBVRKQY-RXVVDRJESA-N 1 0 337.463 4.073 50 0 EIAARO C[C@H](OC(=O)CCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095468921 564141194 /nfs/dbraw/zinc/14/11/94/564141194.db2.gz BWDJRPHDBVRKQY-GHTZIAJQSA-N 1 0 337.463 4.073 50 0 EIAARO COc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1NC(C)=O ZINC000095967569 564143089 /nfs/dbraw/zinc/14/30/89/564143089.db2.gz ZXTAGAMRNKVWAS-KRWDZBQOSA-N 1 0 344.842 4.084 50 0 EIAARO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCc2ccsc2)CC1 ZINC000096407285 564147390 /nfs/dbraw/zinc/14/73/90/564147390.db2.gz VIZSAVAMPHGJIA-MRXNPFEDSA-N 1 0 342.508 4.023 50 0 EIAARO CCc1ccc([C@H](C)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)o1 ZINC000096476874 564148477 /nfs/dbraw/zinc/14/84/77/564148477.db2.gz NIYFJZWBRSHKDC-HNNXBMFYSA-N 1 0 349.434 4.340 50 0 EIAARO O[C@H](C[NH2+]CCC1=CCCCC1)COc1c(Cl)cccc1Cl ZINC000002653743 564151936 /nfs/dbraw/zinc/15/19/36/564151936.db2.gz NXDXASPELVAKCA-CQSZACIVSA-N 1 0 344.282 4.213 50 0 EIAARO CC1=C(C)[C@@H]([NH2+]Cc2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O ZINC000057270761 564153452 /nfs/dbraw/zinc/15/34/52/564153452.db2.gz JMXHWXVTZFOEGV-JTSKRJEESA-N 1 0 348.490 4.302 50 0 EIAARO COc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC000057446632 564154330 /nfs/dbraw/zinc/15/43/30/564154330.db2.gz MQJOMSKCKNFGEW-OAHLLOKOSA-N 1 0 334.419 4.138 50 0 EIAARO COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000057446631 564154344 /nfs/dbraw/zinc/15/43/44/564154344.db2.gz MQJOMSKCKNFGEW-HNNXBMFYSA-N 1 0 334.419 4.138 50 0 EIAARO Cc1ccccc1NC(=S)N1CCC([N@H+](C)C2CCCC2)CC1 ZINC000003058430 564154792 /nfs/dbraw/zinc/15/47/92/564154792.db2.gz HBIFUSUYLGJGPS-UHFFFAOYSA-N 1 0 331.529 4.031 50 0 EIAARO CC[C@@H](C)[N@H+](C)C1CCN(C(=S)Nc2cccc(Cl)c2)CC1 ZINC000003060223 564154841 /nfs/dbraw/zinc/15/48/41/564154841.db2.gz ATDBXTIUHHLKRS-CYBMUJFWSA-N 1 0 339.936 4.232 50 0 EIAARO CC(C)[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000057647968 564155296 /nfs/dbraw/zinc/15/52/96/564155296.db2.gz GSMVYGFVLRZCNC-LJQANCHMSA-N 1 0 348.849 4.082 50 0 EIAARO CCC[C@H](C)[NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000003291328 564157089 /nfs/dbraw/zinc/15/70/89/564157089.db2.gz JVXXLMNTHKEIPM-ZDUSSCGKSA-N 1 0 340.423 4.311 50 0 EIAARO CCCCCN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(C)C ZINC000058060268 564157372 /nfs/dbraw/zinc/15/73/72/564157372.db2.gz WBYBOKVWHOZCRK-QGZVFWFLSA-N 1 0 335.492 4.027 50 0 EIAARO CCC[N@H+](C)CC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000058147709 564157756 /nfs/dbraw/zinc/15/77/56/564157756.db2.gz LZIGBZDRAGBKRC-UHFFFAOYSA-N 1 0 332.831 4.413 50 0 EIAARO O=C(Nc1cccc(Cl)c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000031090827 564158769 /nfs/dbraw/zinc/15/87/69/564158769.db2.gz ALOOPASQUSVIEO-UHFFFAOYSA-N 1 0 349.887 4.141 50 0 EIAARO Cc1sc(-c2ccco2)nc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000031231547 564159205 /nfs/dbraw/zinc/15/92/05/564159205.db2.gz MGGNOEKRSFSFLG-UHFFFAOYSA-N 1 0 341.436 4.025 50 0 EIAARO C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@@H]1CCCc2ccccc21 ZINC000008126390 564162877 /nfs/dbraw/zinc/16/28/77/564162877.db2.gz MFYPFKDTUSASQY-GOSISDBHSA-N 1 0 346.833 4.427 50 0 EIAARO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000008427784 564165245 /nfs/dbraw/zinc/16/52/45/564165245.db2.gz FCFYIWZCENMUFN-SFHVURJKSA-N 1 0 336.479 4.277 50 0 EIAARO COc1ccc(OC)c2c(=O)c(C[N@H+](C)C3CCCCC3)c(C)[nH]c12 ZINC000008717348 564166699 /nfs/dbraw/zinc/16/66/99/564166699.db2.gz HPFDLWLJJGZEJH-UHFFFAOYSA-N 1 0 344.455 4.031 50 0 EIAARO CCN(CC)c1ccc2[nH]c(C)c(C[NH+]3CCCCCC3)c(=O)c2c1 ZINC000008717364 564166723 /nfs/dbraw/zinc/16/67/23/564166723.db2.gz PAXVZGLWSIPIQN-UHFFFAOYSA-N 1 0 341.499 4.471 50 0 EIAARO Cc1ccc2c(=O)c(C[N@@H+]3CCc4ccccc4C3)c(C)[nH]c2c1C ZINC000008717569 564166782 /nfs/dbraw/zinc/16/67/82/564166782.db2.gz LEJVYFXIWBOEMS-UHFFFAOYSA-N 1 0 332.447 4.424 50 0 EIAARO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1nc(-c2cccnc2)no1 ZINC000069679473 564171460 /nfs/dbraw/zinc/17/14/60/564171460.db2.gz RADWUCFYGCKYPE-RTBURBONSA-N 1 0 348.450 4.290 50 0 EIAARO C[C@H]([NH2+]CC(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000069699920 564171546 /nfs/dbraw/zinc/17/15/46/564171546.db2.gz DLTFKNQJOLAFNQ-SFHVURJKSA-N 1 0 344.458 4.243 50 0 EIAARO Cc1c[nH]nc1CN[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000289400480 1021384582 /nfs/dbraw/zinc/38/45/82/1021384582.db2.gz AFIYFNAYKNJSFQ-AWEZNQCLSA-N 1 0 342.443 4.148 50 0 EIAARO CC(C)CC(=O)N1CCC2(C[N@H+](C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257187734 1022715347 /nfs/dbraw/zinc/71/53/47/1022715347.db2.gz CDVAUGAQIQTUQE-FQEVSTJZSA-N 1 0 328.500 4.107 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]Cc2scnc2C2CC2)c(C)c1OC ZINC000342289124 1028836054 /nfs/dbraw/zinc/83/60/54/1028836054.db2.gz VUMRFQAHTQIVAI-GFCCVEGCSA-N 1 0 332.469 4.197 50 0 EIAARO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC000012757195 1041413605 /nfs/dbraw/zinc/41/36/05/1041413605.db2.gz WQHGZBFOVDTXEX-HNNXBMFYSA-N 1 0 348.899 4.138 50 0 EIAARO OC[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000012439939 1043226609 /nfs/dbraw/zinc/22/66/09/1043226609.db2.gz JUKABHRZULNBNQ-HSZRJFAPSA-N 1 0 348.490 4.375 50 0 EIAARO Cc1cnc(-c2ccccc2)n1[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC000575549519 1045258607 /nfs/dbraw/zinc/25/86/07/1045258607.db2.gz NDVPUVHGDAYGKQ-FQEVSTJZSA-N 1 0 335.426 4.445 50 0 EIAARO CC/C=C(/C[N@H+](C)C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1 ZINC000952869405 1049678658 /nfs/dbraw/zinc/67/86/58/1049678658.db2.gz IGWMRFXYEGQRHY-KCBNLNMNSA-N 1 0 328.500 4.059 50 0 EIAARO COc1ccc2[nH]c(C[NH2+]Cc3ccc([C@H]4CCCCO4)o3)cc2c1 ZINC000952966356 1049684743 /nfs/dbraw/zinc/68/47/43/1049684743.db2.gz VMEWXKLOIYRRMD-LJQANCHMSA-N 1 0 340.423 4.301 50 0 EIAARO CC(C)c1nccn1CCC[NH2+]Cc1ccc2cccc(Cl)c2n1 ZINC000952971046 1049684844 /nfs/dbraw/zinc/68/48/44/1049684844.db2.gz INGRMUDQRFLYKJ-UHFFFAOYSA-N 1 0 342.874 4.388 50 0 EIAARO CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCCC1)c1ccccc1 ZINC000952989427 1049692427 /nfs/dbraw/zinc/69/24/27/1049692427.db2.gz WZMVRBYRLUWAFH-LJQANCHMSA-N 1 0 343.515 4.236 50 0 EIAARO C[C@@H](CCNC(=O)c1ccc(-c2ccccc2Cl)o1)n1ccnc1 ZINC000952990354 1049692559 /nfs/dbraw/zinc/69/25/59/1049692559.db2.gz UTTGOVDASINWIZ-ZDUSSCGKSA-N 1 0 343.814 4.178 50 0 EIAARO CC1CC[NH+](CCCOc2ccc(Br)cc2F)CC1 ZINC000230554414 1056369260 /nfs/dbraw/zinc/36/92/60/1056369260.db2.gz RKOIQTFHHFPCIR-UHFFFAOYSA-N 1 0 330.241 4.089 50 0 EIAARO Cc1ccsc1C(=O)N1CCCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000581787952 1059993585 /nfs/dbraw/zinc/99/35/85/1059993585.db2.gz LGQLJYVWXIAYCS-QGZVFWFLSA-N 1 0 334.529 4.173 50 0 EIAARO c1cc([C@H]2CCCO2)sc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000065468665 1060311029 /nfs/dbraw/zinc/31/10/29/1060311029.db2.gz YZXLUSRXQGDWGN-GOSISDBHSA-N 1 0 328.481 4.374 50 0 EIAARO CNC(=O)c1ccc(C[N@H+](C)C2c3ccccc3-c3ccccc32)cc1 ZINC000050507190 214058059 /nfs/dbraw/zinc/05/80/59/214058059.db2.gz HEMZUBABIVXVJC-UHFFFAOYSA-N 1 0 342.442 4.248 50 0 EIAARO c1csc(-c2n[nH]cc2C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000053945947 214207874 /nfs/dbraw/zinc/20/78/74/214207874.db2.gz WZRDQVLJJFDBRJ-AWEZNQCLSA-N 1 0 327.478 4.465 50 0 EIAARO CC(C)c1cc(CN(C)Cc2ccc(C[NH+]3CCCCC3)s2)no1 ZINC000097729599 219051294 /nfs/dbraw/zinc/05/12/94/219051294.db2.gz OLAAGPBAGLVNBZ-UHFFFAOYSA-N 1 0 347.528 4.477 50 0 EIAARO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)ccc23)c1 ZINC000054668261 214250023 /nfs/dbraw/zinc/25/00/23/214250023.db2.gz RIJQVJWHQJTFKH-HXUWFJFHSA-N 1 0 349.430 4.447 50 0 EIAARO Cc1ccc(C[NH2+][C@H]2CCCc3nc(-c4cccnc4)ncc32)s1 ZINC000055119480 214275772 /nfs/dbraw/zinc/27/57/72/214275772.db2.gz IWRZMCCKABAGTL-KRWDZBQOSA-N 1 0 336.464 4.076 50 0 EIAARO COc1cc(C[NH2+][C@@H](C)Cc2ccncc2)ccc1OCC=C(C)C ZINC000055253431 214296529 /nfs/dbraw/zinc/29/65/29/214296529.db2.gz OHKUYHFKNHPCTE-KRWDZBQOSA-N 1 0 340.467 4.156 50 0 EIAARO COc1ccc2c(c1)O[C@H](C)C[N@@H+](Cc1ccc3cccnc3c1)C2 ZINC000055575529 214331688 /nfs/dbraw/zinc/33/16/88/214331688.db2.gz UNOKSTIGPVDRMJ-OAHLLOKOSA-N 1 0 334.419 4.027 50 0 EIAARO Cc1c(Cl)cccc1NC(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004682539 210246677 /nfs/dbraw/zinc/24/66/77/210246677.db2.gz HQJFKKJKISLGTF-UHFFFAOYSA-N 1 0 339.936 4.244 50 0 EIAARO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1c(C)ccc2ncccc21 ZINC000097822925 219058750 /nfs/dbraw/zinc/05/87/50/219058750.db2.gz FZIHAERSFBXDIM-LJQANCHMSA-N 1 0 348.494 4.493 50 0 EIAARO COc1cc(CNc2[nH+]cc(-c3ccc(Cl)cc3)n2C)ccc1O ZINC000004678625 210245383 /nfs/dbraw/zinc/24/53/83/210245383.db2.gz GCBLXAXIZTVNCL-UHFFFAOYSA-N 1 0 343.814 4.067 50 0 EIAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cccc(F)c1 ZINC000004679282 210243744 /nfs/dbraw/zinc/24/37/44/210243744.db2.gz PDXSKICTYXLTHH-UHFFFAOYSA-N 1 0 343.377 4.087 50 0 EIAARO Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000004657497 210240416 /nfs/dbraw/zinc/24/04/16/210240416.db2.gz KHYABVADLWBZLD-KRWDZBQOSA-N 1 0 349.833 4.327 50 0 EIAARO C[C@@H](C[NH+]1CCC(C(=O)NC2CCCCCC2)CC1)c1ccccc1 ZINC000004600386 210230240 /nfs/dbraw/zinc/23/02/40/210230240.db2.gz DMLPBHVBMDDOKI-SFHVURJKSA-N 1 0 342.527 4.341 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000045822183 213760445 /nfs/dbraw/zinc/76/04/45/213760445.db2.gz UAALOHNFINEOEM-GFCCVEGCSA-N 1 0 330.378 4.164 50 0 EIAARO CC1CC[NH+](CCCCOc2cccc(Br)c2)CC1 ZINC000003460911 210045577 /nfs/dbraw/zinc/04/55/77/210045577.db2.gz SRSJAHDVWZQQKC-UHFFFAOYSA-N 1 0 326.278 4.340 50 0 EIAARO Cc1cccc(C)c1OC[C@@H](O)C[NH+](CCC(C)C)CCC(C)C ZINC000003396616 210026731 /nfs/dbraw/zinc/02/67/31/210026731.db2.gz PPIXNWJVCLYFLK-FQEVSTJZSA-N 1 0 335.532 4.437 50 0 EIAARO CSc1ccc2cc(C[N@H+](C)[C@@H](C)c3ccco3)c(=O)[nH]c2c1 ZINC000067447374 215148060 /nfs/dbraw/zinc/14/80/60/215148060.db2.gz KRGQEQZBZBXJHN-LBPRGKRZSA-N 1 0 328.437 4.036 50 0 EIAARO Cc1cc(Cl)c(OCCC[NH+]2CCCC2)c(Br)c1 ZINC000003003283 209952563 /nfs/dbraw/zinc/95/25/63/209952563.db2.gz DTHKTGUSBKGECI-UHFFFAOYSA-N 1 0 332.669 4.276 50 0 EIAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCn1cccc1)CCO2 ZINC000067758036 215206412 /nfs/dbraw/zinc/20/64/12/215206412.db2.gz JNLSCNBPPNOFJG-UHFFFAOYSA-N 1 0 348.446 4.064 50 0 EIAARO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CCCF)C2 ZINC000067872862 215237524 /nfs/dbraw/zinc/23/75/24/215237524.db2.gz DMGNCUPAKPQVQR-UHFFFAOYSA-N 1 0 335.806 4.267 50 0 EIAARO c1coc([C@@H](CC[NH2+]Cc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000001788854 209793922 /nfs/dbraw/zinc/79/39/22/209793922.db2.gz BTMQQUHOGLPASQ-SFHVURJKSA-N 1 0 335.403 4.320 50 0 biogenic EIAARO CCc1ccc(C[NH2+]CC[C@@](O)(c2ccc(C)o2)C(F)(F)F)cc1 ZINC000040088629 213261736 /nfs/dbraw/zinc/26/17/36/213261736.db2.gz ADGJRILEMVTHMA-QGZVFWFLSA-N 1 0 341.373 4.080 50 0 EIAARO c1c2ccccc2oc1C[NH2+][C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000039364516 213234001 /nfs/dbraw/zinc/23/40/01/213234001.db2.gz ALIREJNBQSBZQT-HXUWFJFHSA-N 1 0 346.474 4.154 50 0 EIAARO Cc1ccc(NC(=O)NCC2CC[NH+](C3CCCC3)CC2)cc1C ZINC000038674512 213220595 /nfs/dbraw/zinc/22/05/95/213220595.db2.gz HBAFPQIBVYWSRK-UHFFFAOYSA-N 1 0 329.488 4.080 50 0 EIAARO CC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000037559657 213156927 /nfs/dbraw/zinc/15/69/27/213156927.db2.gz OOIHVEDNNBTPFL-UHFFFAOYSA-N 1 0 340.442 4.152 50 0 EIAARO Cc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccn2)c(C)c1 ZINC000037523061 213152713 /nfs/dbraw/zinc/15/27/13/213152713.db2.gz OIQOSDHPBZETQN-JOCHJYFZSA-N 1 0 331.463 4.495 50 0 EIAARO CC(C)[N@H+](C)Cc1ccccc1CNC(=S)Nc1ccc(F)cc1 ZINC000036847612 213122944 /nfs/dbraw/zinc/12/29/44/213122944.db2.gz HCBJVIKPDJRKQH-UHFFFAOYSA-N 1 0 345.487 4.153 50 0 EIAARO Cc1cccc(C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2)C(C)C)c1 ZINC000036098749 213066121 /nfs/dbraw/zinc/06/61/21/213066121.db2.gz BXFMXWJLSUEQCW-IBGZPJMESA-N 1 0 347.886 4.299 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)COCc1ccco1 ZINC000036103893 213068317 /nfs/dbraw/zinc/06/83/17/213068317.db2.gz SNVSHTKNKJZTEN-QUCCMNQESA-N 1 0 345.483 4.075 50 0 EIAARO CC(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036096767 213063371 /nfs/dbraw/zinc/06/33/71/213063371.db2.gz BINYMKAIEDOTRG-IBGZPJMESA-N 1 0 347.886 4.238 50 0 EIAARO O=c1oc2cc(Cl)c(Cl)cc2n1CCC[NH+]1CCCCCC1 ZINC000071769282 215822502 /nfs/dbraw/zinc/82/25/02/215822502.db2.gz COZAXICZKXNFSV-UHFFFAOYSA-N 1 0 343.254 4.167 50 0 EIAARO O=C(c1ccc([C@@H]2CC[NH2+]C2)cc1)N(Cc1ccccc1)CC1CCC1 ZINC000072125396 216016189 /nfs/dbraw/zinc/01/61/89/216016189.db2.gz GUMTZAPMQJAIKM-JOCHJYFZSA-N 1 0 348.490 4.206 50 0 EIAARO Fc1cccc(F)c1CC[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000072123874 216016215 /nfs/dbraw/zinc/01/62/15/216016215.db2.gz JDISSOVVDULLOW-MRXNPFEDSA-N 1 0 330.422 4.247 50 0 EIAARO CN1C[C@]2(CCC[N@H+](Cc3ccc(C4CCCC4)s3)CC2)OC1=O ZINC000072125644 216016774 /nfs/dbraw/zinc/01/67/74/216016774.db2.gz UAXBPLQNRDROHP-LJQANCHMSA-N 1 0 348.512 4.212 50 0 EIAARO C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1 ZINC000072144910 216030487 /nfs/dbraw/zinc/03/04/87/216030487.db2.gz CPXTUIGORFCUCV-SFHVURJKSA-N 1 0 338.451 4.035 50 0 EIAARO Fc1ccccc1CN1CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000072156072 216045310 /nfs/dbraw/zinc/04/53/10/216045310.db2.gz BWKUVQOPDNCDQE-UHFFFAOYSA-N 1 0 337.442 4.015 50 0 EIAARO Cc1cccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccnc(C(C)C)n4)C3)nc21 ZINC000072163011 216051289 /nfs/dbraw/zinc/05/12/89/216051289.db2.gz WWAAMZSFCMGJFL-MRXNPFEDSA-N 1 0 349.482 4.164 50 0 EIAARO Fc1ccc([C@@H](Cn2cnc3ccccc32)[NH2+]Cc2cccnc2)cc1 ZINC000072274460 216098153 /nfs/dbraw/zinc/09/81/53/216098153.db2.gz QDKHZMBRZCYDCI-HXUWFJFHSA-N 1 0 346.409 4.102 50 0 EIAARO COc1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c(OC)c1OC ZINC000022781624 212323580 /nfs/dbraw/zinc/32/35/80/212323580.db2.gz YABWLIUNYNYWKU-LBPRGKRZSA-N 1 0 335.831 4.217 50 0 EIAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000022695608 212317257 /nfs/dbraw/zinc/31/72/57/212317257.db2.gz OVXOJSMKUXVDAU-UHFFFAOYSA-N 1 0 346.858 4.206 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cc2c(cccc2F)s1)c1cccs1 ZINC000022687706 212317020 /nfs/dbraw/zinc/31/70/20/212317020.db2.gz PMDFDFOUDXQGFQ-CYBMUJFWSA-N 1 0 348.468 4.135 50 0 EIAARO Fc1ccccc1-c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)o1 ZINC000214984543 241100189 /nfs/dbraw/zinc/10/01/89/241100189.db2.gz XYAJBLOLPKPULR-INIZCTEOSA-N 1 0 328.431 4.146 50 0 EIAARO COCC[N@@H+](Cc1cccc2c3ccccc3oc21)C[C@H]1CCCO1 ZINC000215066704 241104075 /nfs/dbraw/zinc/10/40/75/241104075.db2.gz NUPCFGZWHPLKQO-QGZVFWFLSA-N 1 0 339.435 4.213 50 0 EIAARO COc1cc(OC)c(C[N@H+](C)[C@H](C)Cc2cc(C)ccn2)cc1Cl ZINC000215476008 241128771 /nfs/dbraw/zinc/12/87/71/241128771.db2.gz GATTZLHVYIIXIE-CQSZACIVSA-N 1 0 348.874 4.124 50 0 EIAARO c1cnn(CCC2CC[NH+](Cc3ccc([C@@H]4CCCO4)s3)CC2)c1 ZINC000215625341 241134650 /nfs/dbraw/zinc/13/46/50/241134650.db2.gz DGBPKTLXPJHIAB-SFHVURJKSA-N 1 0 345.512 4.098 50 0 EIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000021881778 212258776 /nfs/dbraw/zinc/25/87/76/212258776.db2.gz HDFCTZVLSGBYJN-UHFFFAOYSA-N 1 0 340.854 4.419 50 0 EIAARO O[C@@]1(c2ccccc2)CC[N@H+](CCCc2ccco2)[C@H]2CCCC[C@@H]21 ZINC000244605572 243043379 /nfs/dbraw/zinc/04/33/79/243043379.db2.gz FBBRAZSJXYNKFJ-FDFHNCONSA-N 1 0 339.479 4.365 50 0 EIAARO c1c(C[N@H+]2CCCC[C@H]2CCc2ccccn2)onc1-c1ccncc1 ZINC000244882689 243098454 /nfs/dbraw/zinc/09/84/54/243098454.db2.gz XWPWPRAKJOMCKV-IBGZPJMESA-N 1 0 348.450 4.119 50 0 EIAARO Cc1cccc(Cn2nc(C[NH2+]CCC(C)C)c(-c3ccccc3)n2)c1 ZINC000247943840 243484827 /nfs/dbraw/zinc/48/48/27/243484827.db2.gz VQGQEBWOWJWJAX-UHFFFAOYSA-N 1 0 348.494 4.438 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)[C@@H](O)c1ccccc1 ZINC000020312668 212117437 /nfs/dbraw/zinc/11/74/37/212117437.db2.gz LLHIIAUCPXOGKE-JLTOFOAXSA-N 1 0 325.383 4.297 50 0 EIAARO COc1ccccc1[C@H](C)[NH2+]Cc1cc(Br)cs1 ZINC000020306327 212117496 /nfs/dbraw/zinc/11/74/96/212117496.db2.gz WXEPGVLTZGNJQC-JTQLQIEISA-N 1 0 326.259 4.370 50 0 EIAARO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000020108402 212101242 /nfs/dbraw/zinc/10/12/42/212101242.db2.gz VXGAVIRQFRIIMO-MBOZVWFJSA-N 1 0 328.500 4.155 50 0 EIAARO Fc1ccccc1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019841238 212074377 /nfs/dbraw/zinc/07/43/77/212074377.db2.gz WHKLOZTUNCGRHM-UHFFFAOYSA-N 1 0 334.438 4.297 50 0 EIAARO CCc1cccc2c1Sc1ccccc1C[C@@H]2[NH+]1CCN(C)CC1 ZINC000019802450 212070007 /nfs/dbraw/zinc/07/00/07/212070007.db2.gz LVLNODDWMIJOHQ-IBGZPJMESA-N 1 0 338.520 4.245 50 0 EIAARO CC(C)Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000019609099 212051844 /nfs/dbraw/zinc/05/18/44/212051844.db2.gz JRHYYUJFSBNERP-AWEZNQCLSA-N 1 0 333.426 4.266 50 0 EIAARO O[C@@](C[NH2+]Cc1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000019205322 212004123 /nfs/dbraw/zinc/00/41/23/212004123.db2.gz BZQIGMCVUWHUJG-NRFANRHFSA-N 1 0 337.850 4.366 50 0 EIAARO C[NH+]1CCC(c2nc3cc(CO)ccc3cc2-c2ccccc2)CC1 ZINC000019143459 212001700 /nfs/dbraw/zinc/00/17/00/212001700.db2.gz MCXGAAXOFNFTOA-UHFFFAOYSA-N 1 0 332.447 4.203 50 0 EIAARO Cc1c(C)n(C[C@@H](O)C[NH2+]C2CCCCC2)c2c1cccc2Cl ZINC000012421930 211376720 /nfs/dbraw/zinc/37/67/20/211376720.db2.gz PXXYMIAEVQQRMR-INIZCTEOSA-N 1 0 334.891 4.195 50 0 EIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)cnn1-c1cccc(F)c1 ZINC000012478346 211391698 /nfs/dbraw/zinc/39/16/98/211391698.db2.gz IVOBDYVSOPXRJP-GFCCVEGCSA-N 1 0 345.368 4.449 50 0 EIAARO O[C@@H](C[NH2+]C1CCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 ZINC000012421958 211376095 /nfs/dbraw/zinc/37/60/95/211376095.db2.gz HYLHIIQLLYTSNA-HNNXBMFYSA-N 1 0 346.902 4.067 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccccc2-c2ccccc2)C1 ZINC000012420059 211375371 /nfs/dbraw/zinc/37/53/71/211375371.db2.gz ABPFCTGMKMWQTL-WSTZPKSXSA-N 1 0 339.479 4.071 50 0 EIAARO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)CCCSc2ccccc2)CC1 ZINC000089929862 217884972 /nfs/dbraw/zinc/88/49/72/217884972.db2.gz UCMHGOGSQWASAH-KRWDZBQOSA-N 1 0 346.540 4.034 50 0 EIAARO COc1ccc(F)c(-c2nc(C[N@H+](C)C(C3CC3)C3CC3)c(C)o2)c1 ZINC000012386022 211364239 /nfs/dbraw/zinc/36/42/39/211364239.db2.gz CGVOTSKDAQLRTB-UHFFFAOYSA-N 1 0 344.430 4.418 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000012383892 211363589 /nfs/dbraw/zinc/36/35/89/211363589.db2.gz HXFPAKGMNBNTBT-IHJVYAAUSA-N 1 0 333.516 4.320 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)c2cc3c(s2)CCCCCC3)CC1 ZINC000012382539 211362688 /nfs/dbraw/zinc/36/26/88/211362688.db2.gz UIVYWRWLGHEBRO-UHFFFAOYSA-N 1 0 334.529 4.010 50 0 EIAARO Cc1ncsc1CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)c(C)c1 ZINC000012302564 211339682 /nfs/dbraw/zinc/33/96/82/211339682.db2.gz XBQGXEAJBPZLOO-UHFFFAOYSA-N 1 0 340.496 4.181 50 0 EIAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)[NH2+]Cc1ccsc1 ZINC000012298061 211337248 /nfs/dbraw/zinc/33/72/48/211337248.db2.gz VZDQPSHHBNAVMM-OAHLLOKOSA-N 1 0 344.528 4.468 50 0 EIAARO O=C(CC1=CCCCC1)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012197240 211317231 /nfs/dbraw/zinc/31/72/31/211317231.db2.gz CIBLOQWCTKWSDL-OAQYLSRUSA-N 1 0 340.511 4.090 50 0 EIAARO CC(C)(C)c1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000012205162 211321024 /nfs/dbraw/zinc/32/10/24/211321024.db2.gz PEBXTQMMYAQOII-LJQANCHMSA-N 1 0 336.479 4.474 50 0 EIAARO COc1ccccc1C[N@@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000012027844 211280935 /nfs/dbraw/zinc/28/09/35/211280935.db2.gz XXSAZYMLNJODET-KRWDZBQOSA-N 1 0 343.854 4.444 50 0 EIAARO O=C(c1cc(F)ccc1F)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011997726 211278114 /nfs/dbraw/zinc/27/81/14/211278114.db2.gz NCXJWJAGWMFLMO-KRWDZBQOSA-N 1 0 343.417 4.492 50 0 EIAARO c1csc([C@H]2c3ccsc3CC[N@H+]2CCc2ccncc2)c1 ZINC000010909148 211195418 /nfs/dbraw/zinc/19/54/18/211195418.db2.gz YKLYQHAHXYLHEW-GOSISDBHSA-N 1 0 326.490 4.395 50 0 EIAARO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010368783 211168782 /nfs/dbraw/zinc/16/87/82/211168782.db2.gz IOFJSJFMUSROQN-UHFFFAOYSA-N 1 0 328.843 4.497 50 0 EIAARO CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000010295056 211161434 /nfs/dbraw/zinc/16/14/34/211161434.db2.gz BIYBCDBQKCYNPC-UHFFFAOYSA-N 1 0 338.451 4.324 50 0 EIAARO O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000010340403 211167342 /nfs/dbraw/zinc/16/73/42/211167342.db2.gz OPAPWNLHGCJZSF-OAQYLSRUSA-N 1 0 349.478 4.062 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc2ccccc21)c1ccc(F)cc1 ZINC000010329671 211163985 /nfs/dbraw/zinc/16/39/85/211163985.db2.gz BCYKJLSGASWZPA-FQEVSTJZSA-N 1 0 336.410 4.012 50 0 EIAARO C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000095362793 218295341 /nfs/dbraw/zinc/29/53/41/218295341.db2.gz PVDGUFWEKYISKN-RBBKRZOGSA-N 1 0 346.474 4.066 50 0 EIAARO Clc1nc(Sc2ccccc2)sc1C[NH2+]C[C@@H]1CCOC1 ZINC000095381833 218315083 /nfs/dbraw/zinc/31/50/83/218315083.db2.gz YHKBZYNZDDWAHD-NSHDSACASA-N 1 0 340.901 4.074 50 0 EIAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1cccc(F)c1 ZINC000008863078 211011818 /nfs/dbraw/zinc/01/18/18/211011818.db2.gz XENAAIRIUDHXLS-GOSISDBHSA-N 1 0 346.471 4.234 50 0 EIAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1cccs1 ZINC000008863099 211011635 /nfs/dbraw/zinc/01/16/35/211011635.db2.gz CYOLXAYUXXZTSO-HNNXBMFYSA-N 1 0 334.510 4.157 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cn2)cc1Br ZINC000095416620 218356006 /nfs/dbraw/zinc/35/60/06/218356006.db2.gz JISIRINNLXALMM-GFCCVEGCSA-N 1 0 335.245 4.012 50 0 EIAARO CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 ZINC000095419433 218359263 /nfs/dbraw/zinc/35/92/63/218359263.db2.gz YKLOBPSZXMXIHS-YWZLYKJASA-N 1 0 348.450 4.004 50 0 EIAARO CC[C@H]([NH2+][C@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCO2 ZINC000095419435 218359448 /nfs/dbraw/zinc/35/94/48/218359448.db2.gz YKLOBPSZXMXIHS-QRWLVFNGSA-N 1 0 348.450 4.004 50 0 EIAARO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1cnc(C2CCC2)s1 ZINC000095415514 218353640 /nfs/dbraw/zinc/35/36/40/218353640.db2.gz YONQPRWQZVVPFK-INIZCTEOSA-N 1 0 330.453 4.033 50 0 EIAARO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000095420158 218360732 /nfs/dbraw/zinc/36/07/32/218360732.db2.gz XDCXRUDSFLQJRN-KRWDZBQOSA-N 1 0 335.451 4.099 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1cccc(N2CCOC2=O)c1 ZINC000095421008 218362233 /nfs/dbraw/zinc/36/22/33/218362233.db2.gz XZFXTRAPJWMCCJ-SUMWQHHRSA-N 1 0 342.464 4.433 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc(Cn2cccn2)c1)c1cnc2ccsc2c1 ZINC000095420668 218362272 /nfs/dbraw/zinc/36/22/72/218362272.db2.gz HKQJDDQAEJYEPF-OAHLLOKOSA-N 1 0 348.475 4.392 50 0 EIAARO CC(C)n1cc([C@@H](C)[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)cn1 ZINC000095421353 218362692 /nfs/dbraw/zinc/36/26/92/218362692.db2.gz OQAGHVNAUXWCNE-IAGOWNOFSA-N 1 0 346.544 4.088 50 0 EIAARO Cc1ccccc1[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)C(C)C ZINC000095422339 218364947 /nfs/dbraw/zinc/36/49/47/218364947.db2.gz RRYGDLQDYLXRSE-HXUWFJFHSA-N 1 0 340.467 4.180 50 0 EIAARO OC1CC[NH+](Cc2cccc(NCc3cc(Cl)ccc3F)c2)CC1 ZINC000095435697 218378694 /nfs/dbraw/zinc/37/86/94/218378694.db2.gz JQHUPJIOWXCKLC-UHFFFAOYSA-N 1 0 348.849 4.048 50 0 EIAARO CSc1cccc(N(C(=O)c2ccc(C)o2)C2CC[NH+](C)CC2)c1 ZINC000112247855 220272193 /nfs/dbraw/zinc/27/21/93/220272193.db2.gz ZFQKMTTVOSELNG-UHFFFAOYSA-N 1 0 344.480 4.051 50 0 EIAARO CSc1cccc(N(C(=O)c2cccs2)C2CC[NH+](C)CC2)c1 ZINC000112247821 220273006 /nfs/dbraw/zinc/27/30/06/220273006.db2.gz JWUJOQNXRZCEIL-UHFFFAOYSA-N 1 0 346.521 4.211 50 0 EIAARO CC[NH+](CC)c1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 ZINC000005695281 210519327 /nfs/dbraw/zinc/51/93/27/210519327.db2.gz HTRCNZTXOXOIKL-INIZCTEOSA-N 1 0 325.456 4.280 50 0 EIAARO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000005073653 210385301 /nfs/dbraw/zinc/38/53/01/210385301.db2.gz BBJFXYAQZMJWIG-VQIMIIECSA-N 1 0 327.468 4.075 50 0 EIAARO Cc1nc([C@@H]2CCCCN2Cc2ccccc2)n(-c2cc[nH+]c(C)c2)n1 ZINC000097546546 219034401 /nfs/dbraw/zinc/03/44/01/219034401.db2.gz ZAFYEYIPVKNUHD-FQEVSTJZSA-N 1 0 347.466 4.006 50 0 EIAARO O=C(c1ccc(C[NH+]2CCCC2)o1)N1CCCCC[C@H]1c1ccco1 ZINC000097553299 219035130 /nfs/dbraw/zinc/03/51/30/219035130.db2.gz VCWSYMWTIFBVNA-KRWDZBQOSA-N 1 0 342.439 4.226 50 0 EIAARO C[C@H](C[C@@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@H]1CCCO1 ZINC000245327831 258000095 /nfs/dbraw/zinc/00/00/95/258000095.db2.gz RTOVSWPWNYKPES-QFUCXCTJSA-N 1 0 331.500 4.061 50 0 EIAARO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000245319000 258000191 /nfs/dbraw/zinc/00/01/91/258000191.db2.gz YZZLWRCPCIMEHR-XRNRSJMDSA-N 1 0 325.537 4.088 50 0 EIAARO C[C@H](C[C@]1(c2ccccc2)CCOC(C)(C)C1)[NH2+]C[C@H]1CCCO1 ZINC000245327833 258000210 /nfs/dbraw/zinc/00/02/10/258000210.db2.gz RTOVSWPWNYKPES-YFVAEKQCSA-N 1 0 331.500 4.061 50 0 EIAARO Cc1cccc(-c2cccc(NC(=O)N3CCC[N@@H+](C)C[C@@H]3C)c2)c1 ZINC000299780875 258089428 /nfs/dbraw/zinc/08/94/28/258089428.db2.gz CMBBQAGSERQHFU-KRWDZBQOSA-N 1 0 337.467 4.220 50 0 EIAARO C[C@@H](OC[C@@H](O)C[NH+]1CCCCCCC1)c1ccc(Cl)cc1 ZINC000006939137 258052673 /nfs/dbraw/zinc/05/26/73/258052673.db2.gz LOYOOYSZLJKMLM-QAPCUYQASA-N 1 0 325.880 4.045 50 0 EIAARO C[C@@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc(-c2cccc(F)c2)cc1 ZINC000299756312 258074752 /nfs/dbraw/zinc/07/47/52/258074752.db2.gz LLYLYNXRQQHOLD-OAHLLOKOSA-N 1 0 341.430 4.051 50 0 EIAARO O[C@@H](c1ccc2c(c1)C[NH2+]CCO2)C(c1ccccc1)c1ccccc1 ZINC000299762288 258079666 /nfs/dbraw/zinc/07/96/66/258079666.db2.gz SZVBOFQIFJXCQA-QHCPKHFHSA-N 1 0 345.442 4.034 50 0 EIAARO CC[N@@H+]1CCC[C@H]1CNCc1csc(-c2ccc(Cl)cc2)n1 ZINC000025540738 521658890 /nfs/dbraw/zinc/65/88/90/521658890.db2.gz WFEAESYTNBDHJA-INIZCTEOSA-N 1 0 335.904 4.037 50 0 EIAARO CC[C@@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000244724718 523107294 /nfs/dbraw/zinc/10/72/94/523107294.db2.gz MZISUTXIQPSZAE-KRWDZBQOSA-N 1 0 349.837 4.286 50 0 EIAARO CC[C@@H]([NH2+][C@@H](C)c1ccc(OC2CCOCC2)cc1)c1ccncc1 ZINC000163820376 529200779 /nfs/dbraw/zinc/20/07/79/529200779.db2.gz GOWLBMWEZWPDJP-HRAATJIYSA-N 1 0 340.467 4.441 50 0 EIAARO CC(C)=CCC/C(C)=C/C[N@@H+]1CCCn2nc([C@@H](O)C3CC3)cc2C1 ZINC000219017944 535345797 /nfs/dbraw/zinc/34/57/97/535345797.db2.gz RBEWMZCBLKEWJC-KRWRZEAGSA-N 1 0 343.515 4.225 50 0 EIAARO CC[NH+](CC)CCOc1ccccc1C(=O)CCc1ccccc1 ZINC000000001376 563211324 /nfs/dbraw/zinc/21/13/24/563211324.db2.gz OEGDFSLNGABBKJ-UHFFFAOYSA-N 1 0 325.452 4.223 50 0 in-man EIAARO COc1ccc2[nH+]c(C)cc(Nc3ccc(N4CCOCC4)cc3)c2c1 ZINC000000143895 563243276 /nfs/dbraw/zinc/24/32/76/563243276.db2.gz HQGJUVQQXSWLBA-UHFFFAOYSA-N 1 0 349.434 4.132 50 0 EIAARO Cc1sc2nc(-c3cccs3)nc(NCC[NH+](C)C)c2c1C ZINC000006084106 563255587 /nfs/dbraw/zinc/25/55/87/563255587.db2.gz DTRJABYLXUZIRU-UHFFFAOYSA-N 1 0 332.498 4.010 50 0 EIAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000000214517 563261973 /nfs/dbraw/zinc/26/19/73/563261973.db2.gz QTCXPIHNELNGIN-CYBMUJFWSA-N 1 0 343.298 4.074 50 0 EIAARO COc1cc(C)c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1C ZINC000000238310 563264462 /nfs/dbraw/zinc/26/44/62/563264462.db2.gz XVULZHXZJPRPAA-UHFFFAOYSA-N 1 0 344.886 4.288 50 0 EIAARO Fc1ccc(N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000000238251 563264529 /nfs/dbraw/zinc/26/45/29/563264529.db2.gz FXYOFFDZDHUKDQ-UHFFFAOYSA-N 1 0 338.348 4.167 50 0 EIAARO c1csc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)c1 ZINC000000305242 563277415 /nfs/dbraw/zinc/27/74/15/563277415.db2.gz JGHFPOBBWUMJAW-UHFFFAOYSA-N 1 0 340.496 4.196 50 0 EIAARO CC[NH+](CC)CCOc1nnc(-c2ccc(C)cc2)c2ccccc21 ZINC000000449218 563318455 /nfs/dbraw/zinc/31/84/55/563318455.db2.gz KBWKBBCMGOAGKF-UHFFFAOYSA-N 1 0 335.451 4.326 50 0 EIAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH+]2CCCCCC2)CCCC1 ZINC000000571508 563349596 /nfs/dbraw/zinc/34/95/96/563349596.db2.gz IEBHUWAFPRHWNL-SFHVURJKSA-N 1 0 340.511 4.065 50 0 EIAARO O=C(c1ccc(Br)cc1)c1ccc(C[NH+]2CC=CC2)cc1 ZINC000002514894 563435640 /nfs/dbraw/zinc/43/56/40/563435640.db2.gz VKSMKZQZZQMPJI-UHFFFAOYSA-N 1 0 342.236 4.052 50 0 EIAARO CCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000002522669 563439039 /nfs/dbraw/zinc/43/90/39/563439039.db2.gz PJMPHNIQZUBGLI-UHFFFAOYSA-N 1 0 336.479 4.137 50 0 fda EIAARO CC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccsc2)CC1 ZINC000034682909 563450457 /nfs/dbraw/zinc/45/04/57/563450457.db2.gz PHDKOCCLLAIUEF-UHFFFAOYSA-N 1 0 328.481 4.074 50 0 EIAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COC1CCC(C(C)(C)C)CC1 ZINC000006556249 563571902 /nfs/dbraw/zinc/57/19/02/563571902.db2.gz WPYJHCPYGNYTGC-FDIDQYAWSA-N 1 0 325.537 4.232 50 0 EIAARO Cc1c([C@H](C)[NH2+]Cc2cccc(F)c2)cnn1-c1cccc(F)c1 ZINC000012711849 563668680 /nfs/dbraw/zinc/66/86/80/563668680.db2.gz JSJVZNSMWJWAAW-ZDUSSCGKSA-N 1 0 327.378 4.310 50 0 EIAARO C[C@H](C(=O)NCc1cccs1)[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000012790416 563671605 /nfs/dbraw/zinc/67/16/05/563671605.db2.gz DYCZTVSYHSHGGX-OAHLLOKOSA-N 1 0 344.524 4.182 50 0 EIAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[NH2+]C2CCCCC2)CCCC1 ZINC000013635190 563705517 /nfs/dbraw/zinc/70/55/17/563705517.db2.gz AXYFCRIRLKSCRR-GOSISDBHSA-N 1 0 340.511 4.112 50 0 EIAARO CCCCOCCC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000013692097 563712550 /nfs/dbraw/zinc/71/25/50/563712550.db2.gz VSGPSWBNWMMAAD-MRXNPFEDSA-N 1 0 331.456 4.296 50 0 EIAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)[NH2+]Cc1cccs1 ZINC000014956912 563768011 /nfs/dbraw/zinc/76/80/11/563768011.db2.gz FAMKRRMBEBUCPX-HNNXBMFYSA-N 1 0 344.528 4.468 50 0 EIAARO c1[nH]nc(C2CC[NH+](C3Cc4ccccc4C3)CC2)c1-c1ccccc1 ZINC000014997104 563771051 /nfs/dbraw/zinc/77/10/51/563771051.db2.gz YQMVXIRQGNVTPD-UHFFFAOYSA-N 1 0 343.474 4.424 50 0 EIAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]C3Cc4ccccc4C3)c2C)cc1 ZINC000015077487 563776407 /nfs/dbraw/zinc/77/64/07/563776407.db2.gz HYJHSFVZEIENEC-OAHLLOKOSA-N 1 0 347.462 4.007 50 0 EIAARO CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000015078614 563776838 /nfs/dbraw/zinc/77/68/38/563776838.db2.gz KHSCJQGTMYZBEN-GOSISDBHSA-N 1 0 336.479 4.205 50 0 EIAARO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000015634697 563788712 /nfs/dbraw/zinc/78/87/12/563788712.db2.gz BKXIJSTVKQIFLU-GUSKJMBLSA-N 1 0 349.559 4.235 50 0 EIAARO Cc1cc(Cl)ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000016621956 563817757 /nfs/dbraw/zinc/81/77/57/563817757.db2.gz RUEJGVUGSQLTSY-UHFFFAOYSA-N 1 0 342.870 4.499 50 0 EIAARO COc1ccc2ccccc2c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000023207962 563866138 /nfs/dbraw/zinc/86/61/38/563866138.db2.gz VCSSOHHHOMNZRT-UHFFFAOYSA-N 1 0 332.447 4.171 50 0 EIAARO Oc1ccccc1N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000023699454 563867288 /nfs/dbraw/zinc/86/72/88/563867288.db2.gz HFJXMZFKWSLJRO-UHFFFAOYSA-N 1 0 340.511 4.121 50 0 EIAARO Fc1cccc(CN(C2=[NH+]CCN2)c2c(Cl)cccc2Cl)c1 ZINC000025759552 563888006 /nfs/dbraw/zinc/88/80/06/563888006.db2.gz LRNDDTBEQUWZOZ-UHFFFAOYSA-N 1 0 338.213 4.098 50 0 EIAARO Oc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000025776920 563888330 /nfs/dbraw/zinc/88/83/30/563888330.db2.gz XFFFUQRTDSJPFN-UHFFFAOYSA-N 1 0 336.410 4.007 50 0 EIAARO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc1 ZINC000027663933 563898548 /nfs/dbraw/zinc/89/85/48/563898548.db2.gz MIHUQSXSUJXUJU-KRWDZBQOSA-N 1 0 328.481 4.014 50 0 EIAARO Cc1c(C)n(C[C@H](O)C[NH2+][C@@H](C)c2ccccc2)c2ccc(C)cc12 ZINC000028297101 563902508 /nfs/dbraw/zinc/90/25/08/563902508.db2.gz SILYRVYUBDNFOK-FXAWDEMLSA-N 1 0 336.479 4.278 50 0 EIAARO Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029482476 563906571 /nfs/dbraw/zinc/90/65/71/563906571.db2.gz QKPDSNZQERQFIH-GOSISDBHSA-N 1 0 328.843 4.206 50 0 EIAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000072299744 563912489 /nfs/dbraw/zinc/91/24/89/563912489.db2.gz PSAMANHUXSNCAO-JOKNJTHLSA-N 1 0 347.890 4.119 50 0 EIAARO Brc1cc(Cc2ccccc2)ccc1OC1CC[NH2+]CC1 ZINC000042774411 563924947 /nfs/dbraw/zinc/92/49/47/563924947.db2.gz QNOOAORSUBAZAB-UHFFFAOYSA-N 1 0 346.268 4.171 50 0 EIAARO CCOC(=O)CCCCCC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000043211115 563925394 /nfs/dbraw/zinc/92/53/94/563925394.db2.gz KWAJOEZMDQDIFR-UHFFFAOYSA-N 1 0 345.483 4.369 50 0 EIAARO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000033040096 563933194 /nfs/dbraw/zinc/93/31/94/563933194.db2.gz FDAGOXUGRCZJLJ-QWHCGFSZSA-N 1 0 334.822 4.465 50 0 EIAARO CCC[C@H](NC(=O)C[N@H+](C)C(C)C)c1cccc(C(F)(F)F)c1 ZINC000060367789 563935759 /nfs/dbraw/zinc/93/57/59/563935759.db2.gz GDWRILCLJYBZBN-HNNXBMFYSA-N 1 0 330.394 4.003 50 0 EIAARO CC[N@H+](C)CCNc1ncnc2scc(-c3ccc(C)cc3)c21 ZINC000058049150 563936921 /nfs/dbraw/zinc/93/69/21/563936921.db2.gz JVGUHZKMIRGCLB-UHFFFAOYSA-N 1 0 326.469 4.030 50 0 EIAARO CSc1ccc(C[N@H+](C)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000058165438 563938611 /nfs/dbraw/zinc/93/86/11/563938611.db2.gz QOIWBKCXTBEKMV-UHFFFAOYSA-N 1 0 325.481 4.465 50 0 EIAARO O=c1sn(C[N@H+](C2CC2)[C@H]2CCc3ccccc32)c2ccccc12 ZINC000058171432 563938868 /nfs/dbraw/zinc/93/88/68/563938868.db2.gz QSLVIODCHUAPKJ-SFHVURJKSA-N 1 0 336.460 4.172 50 0 EIAARO C[NH+](C)Cc1cccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)c1 ZINC000058357106 563943616 /nfs/dbraw/zinc/94/36/16/563943616.db2.gz KBWDELVJUSSIAM-UHFFFAOYSA-N 1 0 347.462 4.361 50 0 EIAARO Cc1csc([C@@H]([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C2CC2)n1 ZINC000096478508 563955101 /nfs/dbraw/zinc/95/51/01/563955101.db2.gz ZEFBQNGFORPTFK-ACJLOTCBSA-N 1 0 344.480 4.415 50 0 EIAARO CC[C@H]([NH2+]C1CCN(C(=O)c2ccccc2)CC1)c1cccs1 ZINC000065370988 563958380 /nfs/dbraw/zinc/95/83/80/563958380.db2.gz KAVKHUFRTLZNSY-KRWDZBQOSA-N 1 0 328.481 4.094 50 0 EIAARO c1coc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)c1 ZINC000065394766 563959543 /nfs/dbraw/zinc/95/95/43/563959543.db2.gz MJLQMEAUYOBOJV-KRWDZBQOSA-N 1 0 348.402 4.060 50 0 EIAARO Cc1cc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)c(C)n1 ZINC000065406505 563960199 /nfs/dbraw/zinc/96/01/99/563960199.db2.gz ARYQMEASKUQLJF-INIZCTEOSA-N 1 0 337.467 4.243 50 0 EIAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ncnc3sccc32)c1 ZINC000071753775 563965213 /nfs/dbraw/zinc/96/52/13/563965213.db2.gz NLIBVGLXEJIACX-OAHLLOKOSA-N 1 0 339.464 4.139 50 0 EIAARO FC(F)Oc1ccc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)cc1 ZINC000077341358 563969028 /nfs/dbraw/zinc/96/90/28/563969028.db2.gz YZKVDMZQMYQGFY-QGZVFWFLSA-N 1 0 338.442 4.128 50 0 EIAARO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000095956257 563977810 /nfs/dbraw/zinc/97/78/10/563977810.db2.gz YRUPNZVGOTVTLI-HXUWFJFHSA-N 1 0 330.431 4.209 50 0 EIAARO Cc1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)cc1C ZINC000000263798 563989820 /nfs/dbraw/zinc/98/98/20/563989820.db2.gz OGUKWPRZLPGQLV-INIZCTEOSA-N 1 0 345.512 4.218 50 0 EIAARO CCc1cccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccco2)c1 ZINC000000263831 563989835 /nfs/dbraw/zinc/98/98/35/563989835.db2.gz RDXMWPNMNAXHIP-HNNXBMFYSA-N 1 0 345.512 4.164 50 0 EIAARO CCOc1ccc([C@@H](O)[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000000348391 563991468 /nfs/dbraw/zinc/99/14/68/563991468.db2.gz WUCDVUYSHKJRHY-FGZHOGPDSA-N 1 0 339.479 4.388 50 0 EIAARO CC(C)(C)C1CCC(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000000351992 563991540 /nfs/dbraw/zinc/99/15/40/563991540.db2.gz BTENAPPNXJUXRF-KBWCOIMZSA-N 1 0 345.527 4.027 50 0 EIAARO Cc1ccc([C@@H]2CCCN2Cc2nc(=O)c3c(C)c(C)sc3[nH]2)o1 ZINC000270643684 563999268 /nfs/dbraw/zinc/99/92/68/563999268.db2.gz SEMCMYRXIHHKPJ-ZDUSSCGKSA-N 1 0 343.452 4.252 50 0 EIAARO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000078890572 564000906 /nfs/dbraw/zinc/00/09/06/564000906.db2.gz ZEDIJIINKPYJJO-VRHCTWJESA-N 1 0 347.890 4.119 50 0 EIAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1C ZINC000062580536 564006530 /nfs/dbraw/zinc/00/65/30/564006530.db2.gz FKNHRACMQDPALP-FQEVSTJZSA-N 1 0 336.479 4.055 50 0 EIAARO COc1ccc(C[C@H]([NH2+]Cc2ccncc2)c2ccc(OC)cc2)cc1 ZINC000017317787 564011664 /nfs/dbraw/zinc/01/16/64/564011664.db2.gz DKDDJOYZJOXQBO-QFIPXVFZSA-N 1 0 348.446 4.172 50 0 EIAARO COc1cccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1OC ZINC000000172175 564012136 /nfs/dbraw/zinc/01/21/36/564012136.db2.gz UIJWECOFUIJXGE-UHFFFAOYSA-N 1 0 325.330 4.012 50 0 EIAARO CC[C@@H](C(=[NH2+])NCCc1ccc(OC)c(OC)c1)c1ccccc1 ZINC000000519644 564020560 /nfs/dbraw/zinc/02/05/60/564020560.db2.gz LKECPCGNMHWOHY-QGZVFWFLSA-N 1 0 326.440 4.007 50 0 biogenic EIAARO Cc1ccc2c(c1)c1c(n2C[C@H](O)C[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000000571509 564023793 /nfs/dbraw/zinc/02/37/93/564023793.db2.gz NMVJJEDURJILIY-QZTJIDSGSA-N 1 0 340.511 4.064 50 0 EIAARO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000044857416 564027175 /nfs/dbraw/zinc/02/71/75/564027175.db2.gz XMAZQEHGHIKKIR-UHFFFAOYSA-N 1 0 346.496 4.390 50 0 EIAARO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CCSc3ccccc32)C1 ZINC000044857412 564027197 /nfs/dbraw/zinc/02/71/97/564027197.db2.gz LPRLPJGMYKIRJW-HOCLYGCPSA-N 1 0 348.512 4.213 50 0 EIAARO C[C@H]1C[C@H]([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c2ccsc2S1 ZINC000108461300 564028248 /nfs/dbraw/zinc/02/82/48/564028248.db2.gz BQMRMHBEIDYWOT-DUPGQFARSA-N 1 0 341.567 4.318 50 0 EIAARO C[C@@H](NC1(C[NH2+][C@H]2CCC[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000108457624 564028280 /nfs/dbraw/zinc/02/82/80/564028280.db2.gz WHGOYLYBXBVTMZ-GGPKGHCWSA-N 1 0 330.516 4.055 50 0 EIAARO FC(F)(F)c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000058165467 564035587 /nfs/dbraw/zinc/03/55/87/564035587.db2.gz KAYKWKOWEOGULE-UHFFFAOYSA-N 1 0 348.412 4.460 50 0 EIAARO COc1cc(C[NH2+][C@@H](C)c2cc3ccccc3o2)cc(OC)c1OC ZINC000026313153 564039576 /nfs/dbraw/zinc/03/95/76/564039576.db2.gz SQYUVDROJZPFBH-ZDUSSCGKSA-N 1 0 341.407 4.309 50 0 EIAARO COc1ccc2cc(C[NH2+][C@@H](CN(C)C)c3ccccc3)ccc2c1 ZINC000028316799 564045926 /nfs/dbraw/zinc/04/59/26/564045926.db2.gz CJPOUODQWCFDSQ-QFIPXVFZSA-N 1 0 334.463 4.241 50 0 EIAARO CC(C)c1noc([C@@H](C)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000225615730 564048459 /nfs/dbraw/zinc/04/84/59/564048459.db2.gz JTCSSKWSNMLIMV-AEFFLSMTSA-N 1 0 344.503 4.000 50 0 EIAARO O[C@H](C[NH+]1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000000004041 564051508 /nfs/dbraw/zinc/05/15/08/564051508.db2.gz GGUSQTSTQSHJAH-HXUWFJFHSA-N 1 0 347.861 4.467 50 0 investigational EIAARO O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc[nH]c1C1CC1 ZINC000241587901 564052035 /nfs/dbraw/zinc/05/20/35/564052035.db2.gz OYBJZIKSECXHGN-UHFFFAOYSA-N 1 0 346.434 4.344 50 0 EIAARO CC[C@@H](C)[NH2+]Cc1nn(Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000248217299 564053084 /nfs/dbraw/zinc/05/30/84/564053084.db2.gz GUKLRGOOZNXXLD-OAHLLOKOSA-N 1 0 338.430 4.021 50 0 EIAARO CC1=C(c2ccccc2)[N+](=O)[C@@](O)(c2ccccc2)C1c1ccccc1 ZINC000261492281 564056164 /nfs/dbraw/zinc/05/61/64/564056164.db2.gz QHPXZTMZZCZWQJ-HSZRJFAPSA-N 1 0 341.410 4.319 50 0 EIAARO CC(C)c1nnc(SCc2cn3cc(Cl)ccc3n2)n1C1CC1 ZINC000012531361 564058258 /nfs/dbraw/zinc/05/82/58/564058258.db2.gz XSBWYCALLSVHOW-UHFFFAOYSA-N 1 0 347.875 4.330 50 0 EIAARO S=c1n(-c2ccccc2)cnn1CN1CCC[C@H]1c1ccccc1 ZINC000012564592 564059647 /nfs/dbraw/zinc/05/96/47/564059647.db2.gz OMSSFSQTJVJCKN-SFHVURJKSA-N 1 0 336.464 4.198 50 0 EIAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)O[C@@H](C)C2 ZINC000084718063 564069791 /nfs/dbraw/zinc/06/97/91/564069791.db2.gz KNQCITVAWDNUOT-TUKIKUTGSA-N 1 0 343.389 4.229 50 0 EIAARO C[S@](=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000085298494 564072468 /nfs/dbraw/zinc/07/24/68/564072468.db2.gz OUHROZZAPCETEG-RCZVLFRGSA-N 1 0 349.499 4.498 50 0 EIAARO C[C@@H](NC(=O)Nc1ccccc1F)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012824462 564074993 /nfs/dbraw/zinc/07/49/93/564074993.db2.gz FPJKCVGZWSFNOM-DNVCBOLYSA-N 1 0 341.430 4.173 50 0 EIAARO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cc1OC ZINC000015837050 564076419 /nfs/dbraw/zinc/07/64/19/564076419.db2.gz XMBMKWMVSZWXSG-IBGZPJMESA-N 1 0 341.451 4.440 50 0 EIAARO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000015862267 564077004 /nfs/dbraw/zinc/07/70/04/564077004.db2.gz AXAZGIWNPMMAHL-UHFFFAOYSA-N 1 0 338.426 4.388 50 0 EIAARO CCOc1ccc(C[N@H+](C)Cc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000012921242 564078365 /nfs/dbraw/zinc/07/83/65/564078365.db2.gz NYYSBJHDLXZDPF-UHFFFAOYSA-N 1 0 337.419 4.132 50 0 EIAARO CC(C)C[C@H](NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccs1 ZINC000075314087 564081835 /nfs/dbraw/zinc/08/18/35/564081835.db2.gz PNCKIKRPDOMCKT-HMQMGEFJSA-N 1 0 349.544 4.150 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1cc2ccccc2o1 ZINC000575618699 564083680 /nfs/dbraw/zinc/08/36/80/564083680.db2.gz BCCPPEVFRHGGOM-INIZCTEOSA-N 1 0 342.826 4.119 50 0 EIAARO Cc1ccccc1NC(=O)NC[C@@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575621832 564083973 /nfs/dbraw/zinc/08/39/73/564083973.db2.gz VRTLDTYIINTMJK-KRWDZBQOSA-N 1 0 337.423 4.166 50 0 EIAARO CCCCCC(=O)Nc1cccc(Cl)c1N1CCN(CC)CC1 ZINC000006417578 564085610 /nfs/dbraw/zinc/08/56/10/564085610.db2.gz AZYREZUHHAFUIJ-UHFFFAOYSA-N 1 0 337.895 4.001 50 0 EIAARO COc1ccc(CN2CC[N@@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)cc1C ZINC000240163544 564088247 /nfs/dbraw/zinc/08/82/47/564088247.db2.gz JBVBLQNLYNAOND-UNMCSNQZSA-N 1 0 342.527 4.233 50 0 EIAARO CN(C(=O)C[N@H+](C)[C@H]1CCc2ccccc21)[C@H]1CCCc2ccccc21 ZINC000241326119 564088322 /nfs/dbraw/zinc/08/83/22/564088322.db2.gz LZKDECIYLKGNLC-VXKWHMMOSA-N 1 0 348.490 4.142 50 0 EIAARO CC(C)(C)n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc2ncccc2c1 ZINC000075584156 564089691 /nfs/dbraw/zinc/08/96/91/564089691.db2.gz UGONRJAKCQVJCX-IBGZPJMESA-N 1 0 334.467 4.354 50 0 EIAARO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000006587636 564092290 /nfs/dbraw/zinc/09/22/90/564092290.db2.gz GGOGYURSJVAMOY-PXNSSMCTSA-N 1 0 336.479 4.061 50 0 EIAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000006594378 564092555 /nfs/dbraw/zinc/09/25/55/564092555.db2.gz FIAQLVNIDDNTTK-HNNXBMFYSA-N 1 0 347.871 4.208 50 0 EIAARO Nc1cc[nH+]cc1-c1cccc(C(=O)N2CCC3(C2)CCCCCC3)c1 ZINC000426396460 564093594 /nfs/dbraw/zinc/09/35/94/564093594.db2.gz MQQGUOHWCFTVIY-UHFFFAOYSA-N 1 0 349.478 4.348 50 0 EIAARO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COCC(C)C)s1 ZINC000036101149 564096102 /nfs/dbraw/zinc/09/61/02/564096102.db2.gz KBHZCIHNGOCJMX-LJQANCHMSA-N 1 0 347.524 4.092 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccc(C)s1)C[C@H](O)COc1ccccc1 ZINC000036101233 564096191 /nfs/dbraw/zinc/09/61/91/564096191.db2.gz BCEFFUNBHPCBGO-RDJZCZTQSA-N 1 0 333.497 4.097 50 0 EIAARO Cc1cccc(C[N@H+]2CC=C(C(=O)Nc3cccc(F)c3C)CC2)c1 ZINC000064818025 564096509 /nfs/dbraw/zinc/09/65/09/564096509.db2.gz FNUQYLKFXDJHIK-UHFFFAOYSA-N 1 0 338.426 4.213 50 0 EIAARO Cc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000006787584 564097748 /nfs/dbraw/zinc/09/77/48/564097748.db2.gz YWWVEWHFOWZCFC-LBPRGKRZSA-N 1 0 337.250 4.419 50 0 EIAARO Cc1cc(C)cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000006877343 564100360 /nfs/dbraw/zinc/10/03/60/564100360.db2.gz VIQBLQIYBBLZGJ-UHFFFAOYSA-N 1 0 343.515 4.423 50 0 EIAARO Cc1cccc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000006877359 564100364 /nfs/dbraw/zinc/10/03/64/564100364.db2.gz MCAUOSCBXMTEBS-UHFFFAOYSA-N 1 0 329.488 4.115 50 0 EIAARO Cc1[nH]c2ccc(C(=O)NCCC[N@@H+](C)C3CCCCC3)cc2c1C ZINC000007007404 564103109 /nfs/dbraw/zinc/10/31/09/564103109.db2.gz JOZCKMWRVVBRGG-UHFFFAOYSA-N 1 0 341.499 4.169 50 0 EIAARO CCn1c2ncccc2nc1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000065285319 564104277 /nfs/dbraw/zinc/10/42/77/564104277.db2.gz YOHYWDQQBKFCLN-OAHLLOKOSA-N 1 0 340.858 4.094 50 0 EIAARO Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000372733835 564106333 /nfs/dbraw/zinc/10/63/33/564106333.db2.gz AZFHKYGPOLBKFQ-UHFFFAOYSA-N 1 0 346.356 4.089 50 0 EIAARO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCCCCC2)o1 ZINC000007339554 564106986 /nfs/dbraw/zinc/10/69/86/564106986.db2.gz GLOXMKUAUIBLSJ-UHFFFAOYSA-N 1 0 338.411 4.076 50 0 EIAARO Cc1cccc([C@@H]2CCC[N@H+]2Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000065533967 564107175 /nfs/dbraw/zinc/10/71/75/564107175.db2.gz AGVLJQLMKZBORH-SFHVURJKSA-N 1 0 338.480 4.189 50 0 EIAARO COc1ccc(Cl)cc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000065610734 564108286 /nfs/dbraw/zinc/10/82/86/564108286.db2.gz UOCWZAMUMYAWBO-UHFFFAOYSA-N 1 0 344.842 4.197 50 0 EIAARO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000170601626 564109344 /nfs/dbraw/zinc/10/93/44/564109344.db2.gz AZNDSWXVZQQKBH-JXFKEZNVSA-N 1 0 346.434 4.247 50 0 EIAARO c1csc(-c2noc(CCC[N@@H+]3CCCc4sccc4C3)n2)c1 ZINC000170622868 564110412 /nfs/dbraw/zinc/11/04/12/564110412.db2.gz CLLLLCYLERBQML-UHFFFAOYSA-N 1 0 345.493 4.241 50 0 EIAARO Cc1ccc([C@@H](C)NC(=O)C[NH2+][C@H](C)c2ccc(C)cc2C)c(C)c1 ZINC000013323145 564111482 /nfs/dbraw/zinc/11/14/82/564111482.db2.gz KXGBTFHDEVFSQZ-RTBURBONSA-N 1 0 338.495 4.448 50 0 EIAARO C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)c1cncc(F)c1 ZINC000089669091 564113041 /nfs/dbraw/zinc/11/30/41/564113041.db2.gz FDJQGEMCRRPTSU-ZDUSSCGKSA-N 1 0 342.443 4.023 50 0 EIAARO CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000076093766 564115706 /nfs/dbraw/zinc/11/57/06/564115706.db2.gz DCUDBIBOKZFOPO-LJQANCHMSA-N 1 0 344.499 4.443 50 0 EIAARO Cc1cccc2nc(CNc3cccc(C(=O)c4ccccc4)c3)cn21 ZINC000170639498 564117636 /nfs/dbraw/zinc/11/76/36/564117636.db2.gz WONZAMHYHJCFLV-UHFFFAOYSA-N 1 0 341.414 4.486 50 0 EIAARO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000252477280 564119059 /nfs/dbraw/zinc/11/90/59/564119059.db2.gz LESKDYXXNAAZAE-LPHOPBHVSA-N 1 0 344.499 4.301 50 0 EIAARO C[N@H+](Cc1ccncc1Cl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348807718 564120660 /nfs/dbraw/zinc/12/06/60/564120660.db2.gz JYPCLZQOMKZVJK-AEFFLSMTSA-N 1 0 334.822 4.226 50 0 EIAARO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000194955704 564122656 /nfs/dbraw/zinc/12/26/56/564122656.db2.gz RGKVBYGSOFLQSW-GHMZBOCLSA-N 1 0 341.377 4.180 50 0 EIAARO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NCc3nnsc3Cl)c2C1 ZINC000195537972 564123633 /nfs/dbraw/zinc/12/36/33/564123633.db2.gz OJURGRXSPDOWKP-LLVKDONJSA-N 1 0 336.892 4.164 50 0 EIAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H]3CCC[C@H](C)[C@H]3C)nc(=O)c2c1C ZINC000253534294 564133039 /nfs/dbraw/zinc/13/30/39/564133039.db2.gz ARUUIBKLJBLXSB-HEQLZXTPSA-N 1 0 333.501 4.489 50 0 EIAARO Cc1c[nH]c(C[NH2+][C@@H]2CCCCc3cc(Br)ccc32)n1 ZINC000585093657 564133994 /nfs/dbraw/zinc/13/39/94/564133994.db2.gz XOBNNDTUMMRWMA-OAHLLOKOSA-N 1 0 334.261 4.038 50 0 EIAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]Cc4ccccc4)[C@H]3C=C12 ZINC000012660515 564135439 /nfs/dbraw/zinc/13/54/39/564135439.db2.gz PZPFREVHDDOFIN-JFNLBPMOSA-N 1 0 339.479 4.090 50 0 biogenic EIAARO COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(C)s2)cc1NC(C)=O ZINC000095422780 564140147 /nfs/dbraw/zinc/14/01/47/564140147.db2.gz BJBPOYBBUPDQGU-GXTWGEPZSA-N 1 0 346.496 4.305 50 0 EIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCC2CC2)c1 ZINC000095422964 564140155 /nfs/dbraw/zinc/14/01/55/564140155.db2.gz ZQAHOVCCPMXRTF-OAHLLOKOSA-N 1 0 338.451 4.285 50 0 EIAARO C[C@@H](Cc1ccccc1)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000096013591 564144802 /nfs/dbraw/zinc/14/48/02/564144802.db2.gz HJTWQVVMOKSKTB-SFHVURJKSA-N 1 0 336.479 4.216 50 0 EIAARO O=C(OCC[NH+](C1CCCCC1)C1CCCCC1)c1cccnc1 ZINC000096026386 564144920 /nfs/dbraw/zinc/14/49/20/564144920.db2.gz RURIPFHEYRQOCT-UHFFFAOYSA-N 1 0 330.472 4.206 50 0 EIAARO CCCCSc1ccccc1N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000096026567 564144940 /nfs/dbraw/zinc/14/49/40/564144940.db2.gz IRNIUSIEMBTWJH-HKUYNNGSSA-N 1 0 348.556 4.004 50 0 EIAARO CC1=C(C)[C@H]([NH2+]Cc2ccccc2)N([C@H](C)CCc2ccccc2)C1=O ZINC000057270763 564153442 /nfs/dbraw/zinc/15/34/42/564153442.db2.gz JMXHWXVTZFOEGV-VGOFRKELSA-N 1 0 348.490 4.302 50 0 EIAARO C[C@@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000003211491 564156024 /nfs/dbraw/zinc/15/60/24/564156024.db2.gz FXPQNIMLKQBNIY-PBHICJAKSA-N 1 0 345.537 4.260 50 0 EIAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1sccc1Cl ZINC000670463851 564161716 /nfs/dbraw/zinc/16/17/16/564161716.db2.gz GBKQCHZMJVMVEL-HNNXBMFYSA-N 1 0 348.899 4.011 50 0 EIAARO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc3ccccc3c2)cc1 ZINC000008316667 564164237 /nfs/dbraw/zinc/16/42/37/564164237.db2.gz LYPBFEGZOSHYCA-MRXNPFEDSA-N 1 0 348.446 4.307 50 0 EIAARO FC(F)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2c1OCO2 ZINC000069629885 564171090 /nfs/dbraw/zinc/17/10/90/564171090.db2.gz RZRRQZSCVCEACS-INIZCTEOSA-N 1 0 347.361 4.184 50 0 EIAARO CCCC[N@H+](C)CC1CCN(C(=O)Nc2cccc3[nH]ccc32)CC1 ZINC000069703202 564171633 /nfs/dbraw/zinc/17/16/33/564171633.db2.gz QDUGUVREWHYCHT-UHFFFAOYSA-N 1 0 342.487 4.144 50 0 EIAARO Cc1sc2[nH]c([C@H](C)[NH2+][C@@H]3CCC[C@H](C)[C@@H]3C)nc(=O)c2c1C ZINC000041863595 564174433 /nfs/dbraw/zinc/17/44/33/564174433.db2.gz ARUUIBKLJBLXSB-JYYRZZBQSA-N 1 0 333.501 4.077 50 0 EIAARO Brc1cccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)c1 ZINC000022018215 1020870671 /nfs/dbraw/zinc/87/06/71/1020870671.db2.gz JLLIXGNATVZMLM-INIZCTEOSA-N 1 0 327.225 4.166 50 0 EIAARO CCC(CC)n1ncc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)c1C ZINC000412562599 1024864932 /nfs/dbraw/zinc/86/49/32/1024864932.db2.gz XCFNEGNCIZEROY-UHFFFAOYSA-N 1 0 346.450 4.006 50 0 EIAARO c1ccc(Oc2cccc(OCCCCC[NH+]3CCOCC3)c2)cc1 ZINC000023115432 1027754655 /nfs/dbraw/zinc/75/46/55/1027754655.db2.gz QKAAKQLLNUFSQK-UHFFFAOYSA-N 1 0 341.451 4.360 50 0 EIAARO Cc1nc([C@@H](C)[N@@H+]2CC[C@]3(CCOC3)C2)oc1-c1ccc(Cl)cc1 ZINC000089557957 1040259080 /nfs/dbraw/zinc/25/90/80/1040259080.db2.gz GZBBSPDLFBKPEA-KUHUBIRLSA-N 1 0 346.858 4.477 50 0 EIAARO c1cc2c(o1)CCC[N@@H+](Cc1ccccc1OCc1cccnc1)C2 ZINC000809792442 1040274283 /nfs/dbraw/zinc/27/42/83/1040274283.db2.gz VWRYYXFEKSUPSN-UHFFFAOYSA-N 1 0 334.419 4.202 50 0 EIAARO c1ccc(OCc2noc(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)n2)cc1 ZINC000011934731 1043756285 /nfs/dbraw/zinc/75/62/85/1043756285.db2.gz IFZYJCGFVUXDFS-QGZVFWFLSA-N 1 0 341.455 4.051 50 0 EIAARO CCc1oc(C(=O)N[C@H](C)C2=CCCCC2)cc1C[NH+]1CCCC1 ZINC000823570734 1044289624 /nfs/dbraw/zinc/28/96/24/1044289624.db2.gz MIAUXDUNEADICK-OAHLLOKOSA-N 1 0 330.472 4.057 50 0 EIAARO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)o1 ZINC000012387521 1045142123 /nfs/dbraw/zinc/14/21/23/1045142123.db2.gz PRAAICMOANKBPN-MRXNPFEDSA-N 1 0 327.472 4.479 50 0 EIAARO Cc1ccc(C(=O)NCCc2ncc(C)n2C2CCCCCC2)s1 ZINC000575316690 1045212219 /nfs/dbraw/zinc/21/22/19/1045212219.db2.gz VUYAQJFZOIXXQP-UHFFFAOYSA-N 1 0 345.512 4.429 50 0 EIAARO Cc1ncc(C[N@H+](Cc2ccc3c(c2)OCO3)C2(C)CCCC2)o1 ZINC000628163942 1047386102 /nfs/dbraw/zinc/38/61/02/1047386102.db2.gz YLCYPAUUPKTSFC-UHFFFAOYSA-N 1 0 328.412 4.047 50 0 EIAARO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000193042406 1049512932 /nfs/dbraw/zinc/51/29/32/1049512932.db2.gz TUHZIHJWHCLSMF-HXUWFJFHSA-N 1 0 341.451 4.142 50 0 EIAARO c1nc(C2CCCCC2)sc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000952845977 1049677436 /nfs/dbraw/zinc/67/74/36/1049677436.db2.gz XHGBHJFAXOLKSW-HNNXBMFYSA-N 1 0 328.481 4.457 50 0 EIAARO COc1ccc([C@H](C)[N@H+](C)Cc2ccc3cccc(OC)c3n2)cc1 ZINC000952962215 1049682081 /nfs/dbraw/zinc/68/20/81/1049682081.db2.gz AYUNKOYYHQGTOX-HNNXBMFYSA-N 1 0 336.435 4.445 50 0 EIAARO CC(C)C[C@@H]([NH2+]C1CCN(Cc2ccco2)CC1)c1cccnc1 ZINC000952970842 1049684874 /nfs/dbraw/zinc/68/48/74/1049684874.db2.gz BHZMGAXOCHJRHL-HXUWFJFHSA-N 1 0 327.472 4.016 50 0 EIAARO Cc1ccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CCCC3)cc2)o1 ZINC000952976090 1049687030 /nfs/dbraw/zinc/68/70/30/1049687030.db2.gz MZNDGVDNLHZLLJ-UHFFFAOYSA-N 1 0 340.467 4.201 50 0 EIAARO CC[C@@H](c1ccccn1)N(C)Cc1cc(OC)c(SC)cc1OC ZINC000952992051 1049688978 /nfs/dbraw/zinc/68/89/78/1049688978.db2.gz YQKLFRASUVTRMP-INIZCTEOSA-N 1 0 346.496 4.404 50 0 EIAARO C[N@@H+](Cc1ccnc2ccccc12)C[C@H]1CCN(c2ccccc2)C1 ZINC000952982848 1049689308 /nfs/dbraw/zinc/68/93/08/1049689308.db2.gz SBMZQWQXOYXZGL-GOSISDBHSA-N 1 0 331.463 4.193 50 0 EIAARO CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2cncn2CC)c1 ZINC000952995014 1049691103 /nfs/dbraw/zinc/69/11/03/1049691103.db2.gz AGQUZCJEMJQRPF-QGZVFWFLSA-N 1 0 342.443 4.061 50 0 EIAARO CC[N@@H+]1CCC[C@H](c2c(-c3ccccc3)ncn2Cc2cccnc2)C1 ZINC000065420140 1059903697 /nfs/dbraw/zinc/90/36/97/1059903697.db2.gz KUSXIZGRJXDTMP-FQEVSTJZSA-N 1 0 346.478 4.193 50 0 EIAARO CC1CC[NH+](C[C@H]2CCCCCN2C(=O)Nc2ccccc2F)CC1 ZINC000581787904 1059991538 /nfs/dbraw/zinc/99/15/38/1059991538.db2.gz IEMAOMKMQHPKCS-QGZVFWFLSA-N 1 0 347.478 4.334 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000581805646 1060016224 /nfs/dbraw/zinc/01/62/24/1060016224.db2.gz DRMIPCOUBIQDBC-OAHLLOKOSA-N 1 0 342.418 4.077 50 0 EIAARO Cc1c[nH+]c(C2CC2)n1C[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000581807322 1060017810 /nfs/dbraw/zinc/01/78/10/1060017810.db2.gz LIKBFHLRVUYQIJ-MRXNPFEDSA-N 1 0 338.455 4.013 50 0 EIAARO CC(C)CC(=O)N(Cc1ccc(CC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000581810229 1060021678 /nfs/dbraw/zinc/02/16/78/1060021678.db2.gz HJVJXAXGBBGQLK-UHFFFAOYSA-N 1 0 342.527 4.108 50 0 EIAARO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)s1 ZINC000097609993 219041288 /nfs/dbraw/zinc/04/12/88/219041288.db2.gz HWESXJSWQHPAHJ-OAHLLOKOSA-N 1 0 328.441 4.080 50 0 EIAARO c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC000097619260 219041726 /nfs/dbraw/zinc/04/17/26/219041726.db2.gz UKIFZITVEBJHRB-UHFFFAOYSA-N 1 0 344.462 4.036 50 0 EIAARO O=C(NCc1ccccc1Cl)C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000004725438 210261774 /nfs/dbraw/zinc/26/17/74/210261774.db2.gz AIRCSMGVNIKEIC-MRXNPFEDSA-N 1 0 346.902 4.025 50 0 EIAARO c1coc(-c2cc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)no2)c1 ZINC000052611740 214137132 /nfs/dbraw/zinc/13/71/32/214137132.db2.gz WPLZUKGXCZBTLW-AWEZNQCLSA-N 1 0 349.390 4.455 50 0 EIAARO C[C@@H]([NH2+]Cc1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000054203690 214224731 /nfs/dbraw/zinc/22/47/31/214224731.db2.gz SIZDTNXPJGYTGQ-OAHLLOKOSA-N 1 0 349.409 4.324 50 0 EIAARO COCC[N@H+](Cc1ccc(C)cc1)Cc1cc(Cl)c(O)c(OC)c1 ZINC000055199621 214288649 /nfs/dbraw/zinc/28/86/49/214288649.db2.gz YCEYDOGATILMAN-UHFFFAOYSA-N 1 0 349.858 4.011 50 0 EIAARO Cc1ccsc1C[N@@H+](Cc1cccn1-c1ncccn1)CC(C)C ZINC000055228085 214292718 /nfs/dbraw/zinc/29/27/18/214292718.db2.gz LYCRZWVOFZONJY-UHFFFAOYSA-N 1 0 340.496 4.295 50 0 EIAARO Cc1ccccc1C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)CC(C)C ZINC000055271475 214299690 /nfs/dbraw/zinc/29/96/90/214299690.db2.gz MQQJCFVXVIKTEG-UHFFFAOYSA-N 1 0 345.508 4.057 50 0 EIAARO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000057383350 214424678 /nfs/dbraw/zinc/42/46/78/214424678.db2.gz DEKJTEPHLBHNQB-MRXNPFEDSA-N 1 0 348.446 4.446 50 0 EIAARO Cc1ccccc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000004554028 210220190 /nfs/dbraw/zinc/22/01/90/210220190.db2.gz WKWKUUTZXXIPDW-QGZVFWFLSA-N 1 0 341.480 4.252 50 0 EIAARO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)cc(Cl)c1OC ZINC000004488639 210201886 /nfs/dbraw/zinc/20/18/86/210201886.db2.gz BTNKGBFBABJXDT-UHFFFAOYSA-N 1 0 344.842 4.171 50 0 EIAARO CC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000004355702 210178506 /nfs/dbraw/zinc/17/85/06/210178506.db2.gz IUJBQIVGLOYVAR-HXUWFJFHSA-N 1 0 346.490 4.295 50 0 EIAARO CC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3C)cc2)c1 ZINC000065505041 214937511 /nfs/dbraw/zinc/93/75/11/214937511.db2.gz UPIXDTFEOMDLPO-HNNXBMFYSA-N 1 0 336.435 4.126 50 0 EIAARO Cc1cccc(C[C@H](C)CC(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000004027955 210103721 /nfs/dbraw/zinc/10/37/21/210103721.db2.gz AQCXSWOGSGUXKS-SESVDKBCSA-N 1 0 343.511 4.371 50 0 biogenic EIAARO Brc1c(OCCC[NH+]2CCCC2)ccc2ccccc21 ZINC000003461385 210047100 /nfs/dbraw/zinc/04/71/00/210047100.db2.gz VOFZETVWJYZHNR-UHFFFAOYSA-N 1 0 334.257 4.467 50 0 EIAARO CC(C)c1cc(C2CC[NH+](Cc3ccc(O)c(Cl)c3)CC2)[nH]n1 ZINC000067712853 215191325 /nfs/dbraw/zinc/19/13/25/215191325.db2.gz RHCYNAHBUZZTSO-UHFFFAOYSA-N 1 0 333.863 4.272 50 0 EIAARO COc1cc(Oc2cnc3ccccc3n2)ccc1C[NH+]1CCCC1 ZINC000067691277 215185241 /nfs/dbraw/zinc/18/52/41/215185241.db2.gz GXTVEDNHYSUSEO-UHFFFAOYSA-N 1 0 335.407 4.027 50 0 EIAARO C[C@@H](c1ccc2ccccc2c1)[N@H+](C)C1CCN(C(=O)C2CC2)CC1 ZINC000067856121 215232922 /nfs/dbraw/zinc/23/29/22/215232922.db2.gz NRNXCWUPOUFSPV-INIZCTEOSA-N 1 0 336.479 4.234 50 0 EIAARO c1ccc(COc2ccc(C[NH2+][C@@H]3CCOc4ccccc43)cc2)nc1 ZINC000067967220 215262552 /nfs/dbraw/zinc/26/25/52/215262552.db2.gz OEEYIOAODUNJEF-OAQYLSRUSA-N 1 0 346.430 4.274 50 0 EIAARO O=C(c1ccc(-c2ccccc2)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000068365308 215302611 /nfs/dbraw/zinc/30/26/11/215302611.db2.gz SSXCCRLFCJWDGE-UHFFFAOYSA-N 1 0 334.463 4.054 50 0 EIAARO COc1ccc(CC[C@@H](C)[NH2+]CCCc2ccccc2)c(OC)c1 ZINC000002132862 209822813 /nfs/dbraw/zinc/82/28/13/209822813.db2.gz UKKOHDVNWVUEIG-QGZVFWFLSA-N 1 0 327.468 4.247 50 0 biogenic EIAARO COc1ccc2c(c1)nc(NCCC[NH+](C)C)cc2-c1ccccc1 ZINC000001896218 209803898 /nfs/dbraw/zinc/80/38/98/209803898.db2.gz RTTWXVNKZRKRIA-UHFFFAOYSA-N 1 0 335.451 4.274 50 0 EIAARO CCCOc1cc(C)ccc1NC(=O)N1CCC([NH+](CC)CC)CC1 ZINC000040151783 213273332 /nfs/dbraw/zinc/27/33/32/213273332.db2.gz QUIVAIWEMCBKLW-UHFFFAOYSA-N 1 0 347.503 4.122 50 0 EIAARO COc1ccc(CN2CC[N@@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1C ZINC000039769822 213242900 /nfs/dbraw/zinc/24/29/00/213242900.db2.gz JBVBLQNLYNAOND-IRLDBZIGSA-N 1 0 342.527 4.233 50 0 EIAARO c1c2ccccc2oc1C[NH2+][C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000039364517 213235084 /nfs/dbraw/zinc/23/50/84/213235084.db2.gz ALIREJNBQSBZQT-FQEVSTJZSA-N 1 0 346.474 4.154 50 0 EIAARO CCOc1ccccc1CNc1[nH+]cc(-c2cccc(OC)c2)n1C ZINC000000819132 209690880 /nfs/dbraw/zinc/69/08/80/209690880.db2.gz IBWCJVYKINNPBX-UHFFFAOYSA-N 1 0 337.423 4.107 50 0 EIAARO CC(C)C(=O)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037560222 213156989 /nfs/dbraw/zinc/15/69/89/213156989.db2.gz OJXZEAAOBXLENY-UHFFFAOYSA-N 1 0 336.479 4.340 50 0 EIAARO CC[C@H](C)[N@@H+](Cc1ccccc1C)C[C@H](O)COc1ccccc1C ZINC000036104525 213069583 /nfs/dbraw/zinc/06/95/83/213069583.db2.gz NOTLZLDQNKMMMF-FPOVZHCZSA-N 1 0 341.495 4.344 50 0 EIAARO Cc1ccccc1C[N@H+](CCC(C)C)C[C@H](O)COCc1ccco1 ZINC000036100045 213067053 /nfs/dbraw/zinc/06/70/53/213067053.db2.gz UYENTJZSVQLSSU-FQEVSTJZSA-N 1 0 345.483 4.014 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1C)C[C@H](O)COc1ccccc1 ZINC000036098916 213064631 /nfs/dbraw/zinc/06/46/31/213064631.db2.gz LQUBNQCYDCZJPU-CTNGQTDRSA-N 1 0 341.495 4.344 50 0 EIAARO [NH3+]Cc1ccc(OCCCOc2ccc(Cl)cc2Cl)cc1 ZINC000035726703 213047839 /nfs/dbraw/zinc/04/78/39/213047839.db2.gz LAITVIAZNQZWDR-UHFFFAOYSA-N 1 0 326.223 4.300 50 0 EIAARO Fc1ccc(C2=CC[N@H+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)cc1 ZINC000072153932 216042287 /nfs/dbraw/zinc/04/22/87/216042287.db2.gz BMJNLDIEMPQYHU-PZJWPPBQSA-N 1 0 328.475 4.179 50 0 EIAARO Cc1nccn1C[C@H]1CCC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000072172751 216064098 /nfs/dbraw/zinc/06/40/98/216064098.db2.gz QVUUMSSGKDDHOF-FQEVSTJZSA-N 1 0 346.478 4.166 50 0 EIAARO O=C(N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)c1ccc2ccccc2c1 ZINC000072230579 216070726 /nfs/dbraw/zinc/07/07/26/216070726.db2.gz UTVPORVYLDYPOO-HXUWFJFHSA-N 1 0 336.479 4.367 50 0 EIAARO CC(C)(C)OC(=O)N1CCCCC12CC[NH+](Cc1ccccc1)CC2 ZINC000072319848 216148397 /nfs/dbraw/zinc/14/83/97/216148397.db2.gz SZNJCDSUYKNZSE-UHFFFAOYSA-N 1 0 344.499 4.442 50 0 EIAARO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cnc(-c3ccco3)nc2)c1 ZINC000072423803 216212997 /nfs/dbraw/zinc/21/29/97/216212997.db2.gz CYHBIKTUWFYMPG-LJQANCHMSA-N 1 0 349.434 4.472 50 0 EIAARO CC(C)CCc1nccc(C2(c3ccccc3Cl)CC[NH2+]CC2)n1 ZINC000072425665 216215864 /nfs/dbraw/zinc/21/58/64/216215864.db2.gz QIIVGKJIOOJKJI-UHFFFAOYSA-N 1 0 343.902 4.388 50 0 EIAARO Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]CCc1ccccc1 ZINC000023424886 212376407 /nfs/dbraw/zinc/37/64/07/212376407.db2.gz PYBBPUAPHNRWHU-UHFFFAOYSA-N 1 0 325.843 4.166 50 0 EIAARO COc1cc(C[NH2+][C@H](C)c2ccccc2Cl)cc(OC)c1OC ZINC000022781133 212323977 /nfs/dbraw/zinc/32/39/77/212323977.db2.gz MPACXDOWWOTFBM-GFCCVEGCSA-N 1 0 335.831 4.217 50 0 EIAARO Fc1ccccc1-c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)o1 ZINC000214984593 241099625 /nfs/dbraw/zinc/09/96/25/241099625.db2.gz XYAJBLOLPKPULR-MRXNPFEDSA-N 1 0 328.431 4.146 50 0 EIAARO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000221902008 241482268 /nfs/dbraw/zinc/48/22/68/241482268.db2.gz RUCICVQYYCWHHY-QKNZJWGPSA-N 1 0 345.455 4.018 50 0 EIAARO C[NH+](C)[C@@H]1CCCN(Cc2ccc(Cl)cc2Br)CC1 ZINC000225442758 241864198 /nfs/dbraw/zinc/86/41/98/241864198.db2.gz UXJOTBUUEDJGTL-CQSZACIVSA-N 1 0 345.712 4.019 50 0 EIAARO CCCOc1ccc(C(=O)OCC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000226328486 242098957 /nfs/dbraw/zinc/09/89/57/242098957.db2.gz FWXSOJYBKRVMJS-PXNSSMCTSA-N 1 0 345.483 4.287 50 0 EIAARO Brc1ccc2[nH]c(C[N@@H+]3CC[C@@H]4CCCC[C@H]43)nc2c1 ZINC000230142320 242240485 /nfs/dbraw/zinc/24/04/85/242240485.db2.gz BBEKGSQQVIMMNP-XHDPSFHLSA-N 1 0 334.261 4.090 50 0 EIAARO COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)c(F)c1 ZINC000020997497 212195836 /nfs/dbraw/zinc/19/58/36/212195836.db2.gz ZKQVNEURHANVFR-INIZCTEOSA-N 1 0 345.462 4.136 50 0 EIAARO COc1cccc([C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)N2CCCC2)c1 ZINC000240412852 242970969 /nfs/dbraw/zinc/97/09/69/242970969.db2.gz FOIMWMIQNOVCHL-JOCHJYFZSA-N 1 0 349.478 4.103 50 0 EIAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(NC(=O)C(C)C)cc2)cnn1C(C)C ZINC000242339177 243020483 /nfs/dbraw/zinc/02/04/83/243020483.db2.gz ZFNRVWNVGYUOSA-OAHLLOKOSA-N 1 0 342.487 4.218 50 0 EIAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](c2n[nH]cc2C(C)C)C1 ZINC000020778805 212171975 /nfs/dbraw/zinc/17/19/75/212171975.db2.gz WMZONIUGNCOPHT-YOCVDRLZSA-N 1 0 339.483 4.435 50 0 EIAARO C[C@@H]1C[N@H+](CCn2c3ccccc3c3cc(Cl)ccc32)CCN1C ZINC000020536864 212144162 /nfs/dbraw/zinc/14/41/62/212144162.db2.gz KSYZLPHSZSDIHK-OAHLLOKOSA-N 1 0 341.886 4.084 50 0 EIAARO FC(F)(F)c1cnc(C[C@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000020389256 212124292 /nfs/dbraw/zinc/12/42/92/212124292.db2.gz WOCFRHHBLPZBOD-CQSZACIVSA-N 1 0 326.749 4.183 50 0 EIAARO CC1=C(C)[C@H]([NH2+]CCC(C)C)N([C@@H](C)CCc2ccccc2)C1=O ZINC000020058018 212098541 /nfs/dbraw/zinc/09/85/41/212098541.db2.gz MZTCODXPKOUUBM-OXJNMPFZSA-N 1 0 328.500 4.148 50 0 EIAARO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020100480 212100619 /nfs/dbraw/zinc/10/06/19/212100619.db2.gz PGSPPOVGHADQCQ-UHFFFAOYSA-N 1 0 344.474 4.044 50 0 EIAARO c1ccc(CN2CC[NH+]([C@H]3CCCSc4ccccc43)CC2)cc1 ZINC000019802136 212070169 /nfs/dbraw/zinc/07/01/69/212070169.db2.gz DWOMXKJFILUXON-FQEVSTJZSA-N 1 0 338.520 4.431 50 0 EIAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(O)c(Cl)c2)C1 ZINC000019742630 212060662 /nfs/dbraw/zinc/06/06/62/212060662.db2.gz LTSFYNVHZVHYLM-OAHLLOKOSA-N 1 0 347.890 4.347 50 0 EIAARO COc1ccc(CC[NH2+]Cc2ccccc2C(F)(F)F)cc1OC ZINC000019720700 212058340 /nfs/dbraw/zinc/05/83/40/212058340.db2.gz XCWDZNIDJYDLEI-UHFFFAOYSA-N 1 0 339.357 4.055 50 0 EIAARO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000019636621 212053652 /nfs/dbraw/zinc/05/36/52/212053652.db2.gz NTERCDHVYAMCEY-UHFFFAOYSA-N 1 0 336.401 4.269 50 0 EIAARO C(=C/c1ccccc1)\CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019637358 212052925 /nfs/dbraw/zinc/05/29/25/212052925.db2.gz NBCVSZDGZJCINY-QPJJXVBHSA-N 1 0 336.523 4.142 50 0 EIAARO CC(C)Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000019609097 212051850 /nfs/dbraw/zinc/05/18/50/212051850.db2.gz JRHYYUJFSBNERP-CQSZACIVSA-N 1 0 333.426 4.266 50 0 EIAARO O=C1CC[C@@H](CC[NH2+]Cc2ccccc2F)N1CCC1=CCCCC1 ZINC000014994132 211784866 /nfs/dbraw/zinc/78/48/66/211784866.db2.gz LMZBVRYDNILKMW-IBGZPJMESA-N 1 0 344.474 4.187 50 0 EIAARO Cc1cc(Cl)ccc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000082106815 217466595 /nfs/dbraw/zinc/46/65/95/217466595.db2.gz LEZYGMUPRHFGPW-KRWDZBQOSA-N 1 0 334.891 4.129 50 0 EIAARO c1cnc(Oc2cccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)c2)nc1 ZINC000013731521 211625474 /nfs/dbraw/zinc/62/54/74/211625474.db2.gz XCQZMJWGRODHSU-UHFFFAOYSA-N 1 0 335.451 4.327 50 0 EIAARO Cc1ccc2c(c1)c1c(n2C[C@@H](O)C[NH2+]C2CCCCC2)CCCC1 ZINC000013635187 211595424 /nfs/dbraw/zinc/59/54/24/211595424.db2.gz AXYFCRIRLKSCRR-SFHVURJKSA-N 1 0 340.511 4.112 50 0 in-vivo EIAARO CC(C)c1ccc(C[NH+]2CCC(CCC(=O)N3CCCC3)CC2)cc1 ZINC000012476793 211392078 /nfs/dbraw/zinc/39/20/78/211392078.db2.gz UKCWYVQELDMBGT-UHFFFAOYSA-N 1 0 342.527 4.425 50 0 EIAARO C[C@H]([NH2+]C[C@@H](O)COC1CCC(C(C)(C)C)CC1)c1ccccc1 ZINC000012383891 211363090 /nfs/dbraw/zinc/36/30/90/211363090.db2.gz HXFPAKGMNBNTBT-OXHPOLQJSA-N 1 0 333.516 4.320 50 0 EIAARO FC(F)Oc1ccccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000012201868 211319416 /nfs/dbraw/zinc/31/94/16/211319416.db2.gz CTWIZPJYZKAMEP-KRWDZBQOSA-N 1 0 332.394 4.365 50 0 EIAARO CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000012199438 211318927 /nfs/dbraw/zinc/31/89/27/211318927.db2.gz HOHWMPCMYYABCF-HXUWFJFHSA-N 1 0 338.451 4.175 50 0 EIAARO CC[NH+]1CCC(C(=O)Nc2ccccc2-c2cccc(OC)c2)CC1 ZINC000012203327 211320054 /nfs/dbraw/zinc/32/00/54/211320054.db2.gz RPYQBSNDRWMOHI-UHFFFAOYSA-N 1 0 338.451 4.033 50 0 EIAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[N@@H+]1CCCC[C@@H]1CO ZINC000012091341 211289401 /nfs/dbraw/zinc/28/94/01/211289401.db2.gz NQSVELWZOWMDDX-LJQANCHMSA-N 1 0 336.435 4.150 50 0 EIAARO CN(c1ncccc1C[NH2+]C[C@@H]1CCOC(C)(C)C1)C1CCCCC1 ZINC000011873149 211260895 /nfs/dbraw/zinc/26/08/95/211260895.db2.gz RPMDOCDBPZXXIH-QGZVFWFLSA-N 1 0 345.531 4.145 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2Cc3ccccc3O2)cc1C ZINC000011664604 211232660 /nfs/dbraw/zinc/23/26/60/211232660.db2.gz AITKBSOTJSGBFH-HXUWFJFHSA-N 1 0 347.462 4.129 50 0 EIAARO Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2Cc3ccccc3O2)cc1C ZINC000011664603 211231946 /nfs/dbraw/zinc/23/19/46/211231946.db2.gz AITKBSOTJSGBFH-FQEVSTJZSA-N 1 0 347.462 4.129 50 0 EIAARO CC[NH+](CC)C[C@@H]1CCCN1C(=O)c1[nH]c2c(cc(C)cc2C)c1C ZINC000092077948 218116359 /nfs/dbraw/zinc/11/63/59/218116359.db2.gz ZGXZWJAYCQKTCS-KRWDZBQOSA-N 1 0 341.499 4.040 50 0 EIAARO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434635 211172320 /nfs/dbraw/zinc/17/23/20/211172320.db2.gz SBOYXRKKROYCFU-RQJZOYDLSA-N 1 0 349.559 4.376 50 0 EIAARO OCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315493 211162189 /nfs/dbraw/zinc/16/21/89/211162189.db2.gz PZRGQNUXMDODTE-UHFFFAOYSA-N 1 0 349.261 4.078 50 0 EIAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)C2CC2)cc1 ZINC000010351396 211167403 /nfs/dbraw/zinc/16/74/03/211167403.db2.gz PUULBRQUVRGLCM-DJJJIMSYSA-N 1 0 344.405 4.341 50 0 EIAARO Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)C2CC2)cc1 ZINC000010351411 211166881 /nfs/dbraw/zinc/16/68/81/211166881.db2.gz YKBYCKPRRQPDIL-ACJLOTCBSA-N 1 0 344.405 4.341 50 0 EIAARO COc1ccc([C@H]([NH2+][C@@H]2CCOC(C)(C)C2)c2ccccc2)cc1 ZINC000009547869 211101765 /nfs/dbraw/zinc/10/17/65/211101765.db2.gz VAHZNFBZMLURDU-UYAOXDASSA-N 1 0 325.452 4.332 50 0 EIAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc2ccccc2o1 ZINC000009512756 211095658 /nfs/dbraw/zinc/09/56/58/211095658.db2.gz IHPJTQIEFDSQCB-UHFFFAOYSA-N 1 0 340.467 4.351 50 0 EIAARO Fc1ccccc1C[N@@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095366436 218298628 /nfs/dbraw/zinc/29/86/28/218298628.db2.gz MJEGEYCIPOSDFE-SFHVURJKSA-N 1 0 327.447 4.202 50 0 EIAARO CC(C)[C@@H]1CN(C(=O)c2cccc(-c3ccccc3)c2)C[C@H]1[NH+](C)C ZINC000095371277 218304578 /nfs/dbraw/zinc/30/45/78/218304578.db2.gz SPRURVOCKJMDLH-LEWJYISDSA-N 1 0 336.479 4.012 50 0 EIAARO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1Cc1nnc(-c2cccs2)o1 ZINC000095401048 218335904 /nfs/dbraw/zinc/33/59/04/218335904.db2.gz WYOQIJNWQJCASY-AAEUAGOBSA-N 1 0 331.466 4.238 50 0 EIAARO CCc1ncc(C[NH2+][C@H](Cc2ccc(C)cc2)c2cccnc2)s1 ZINC000095409420 218345499 /nfs/dbraw/zinc/34/54/99/218345499.db2.gz MKSFUCZHNKXEDD-LJQANCHMSA-N 1 0 337.492 4.483 50 0 EIAARO C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(N2CCOC2=O)cc1 ZINC000095419127 218359202 /nfs/dbraw/zinc/35/92/02/218359202.db2.gz WGLAKFHQSNRDKD-OAHLLOKOSA-N 1 0 349.434 4.018 50 0 EIAARO COc1ccc([C@@H](C)[NH2+]CC2(c3ccccc3)CC2)cc1NC(C)=O ZINC000095419852 218359925 /nfs/dbraw/zinc/35/99/25/218359925.db2.gz COLJQTJHFJLSNB-OAHLLOKOSA-N 1 0 338.451 4.036 50 0 EIAARO CCc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCCC2=O)s1 ZINC000095420118 218360526 /nfs/dbraw/zinc/36/05/26/218360526.db2.gz ZQMPGYXTIQYOMX-HNNXBMFYSA-N 1 0 342.508 4.284 50 0 EIAARO COC(=O)Nc1ccc(C[NH2+][C@@H](C)c2nc3ccccc3s2)cc1 ZINC000095420436 218360584 /nfs/dbraw/zinc/36/05/84/218360584.db2.gz UCDGMBCBHXXQIL-LBPRGKRZSA-N 1 0 341.436 4.325 50 0 EIAARO COC(=O)Nc1ccc(C[NH2+][C@@H](CC(C)C)c2ccccn2)cc1 ZINC000095420434 218360622 /nfs/dbraw/zinc/36/06/22/218360622.db2.gz QKIFAWFYLPPEEI-SFHVURJKSA-N 1 0 327.428 4.137 50 0 EIAARO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(COC(C)C)c2)c1 ZINC000095420471 218360687 /nfs/dbraw/zinc/36/06/87/218360687.db2.gz VQHKZLDNJMCOLK-MRXNPFEDSA-N 1 0 340.467 4.421 50 0 EIAARO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)c2ccsc2S1 ZINC000095420068 218360727 /nfs/dbraw/zinc/36/07/27/218360727.db2.gz FFVVSJDKMOMUOY-BBRMVZONSA-N 1 0 345.537 4.459 50 0 EIAARO C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ccsc1 ZINC000095420533 218362426 /nfs/dbraw/zinc/36/24/26/218362426.db2.gz NDYHAZCKXZDLTB-CQSZACIVSA-N 1 0 340.448 4.122 50 0 EIAARO O=C(Nc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1)c1ccncc1 ZINC000095421442 218363590 /nfs/dbraw/zinc/36/35/90/218363590.db2.gz QBPHPQLFAKQNSR-NRFANRHFSA-N 1 0 343.430 4.111 50 0 EIAARO O=C(c1ccco1)N1CCC([NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000095421817 218364082 /nfs/dbraw/zinc/36/40/82/218364082.db2.gz MRJDQPBPCXTSSJ-HXUWFJFHSA-N 1 0 338.451 4.015 50 0 EIAARO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc2ccccc2o1 ZINC000095423185 218365860 /nfs/dbraw/zinc/36/58/60/218365860.db2.gz GGJSDLJECNOUKT-OAHLLOKOSA-N 1 0 336.435 4.028 50 0 EIAARO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]Cc2cncs2)cc1 ZINC000095425758 218367738 /nfs/dbraw/zinc/36/77/38/218367738.db2.gz WYAHAPPOYNGGTB-IBGZPJMESA-N 1 0 342.439 4.364 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000095444360 218388907 /nfs/dbraw/zinc/38/89/07/218388907.db2.gz HZENIOSRJROZGB-QMMMGPOBSA-N 1 0 330.646 4.475 50 0 EIAARO C[C@H]([NH2+]C[C@H](O)COc1ccccc1C(C)(C)C)c1ccccc1 ZINC000005073881 210385406 /nfs/dbraw/zinc/38/54/06/210385406.db2.gz QCDAHAHOFXFTEW-WMZOPIPTSA-N 1 0 327.468 4.075 50 0 EIAARO Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H](O)Cc1ccccc1 ZINC000005051359 210376135 /nfs/dbraw/zinc/37/61/35/210376135.db2.gz GEUQJHGDWUFPCL-UTKZUKDTSA-N 1 0 334.463 4.047 50 0 EIAARO O[C@@H](C[NH2+]C1CCCCCC1)COc1cc(Cl)ccc1Cl ZINC000007004289 208568977 /nfs/dbraw/zinc/56/89/77/208568977.db2.gz RBIXUIIURUDCTA-AWEZNQCLSA-N 1 0 332.271 4.046 50 0 EIAARO O=C([C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCCCC1 ZINC000004746200 210269362 /nfs/dbraw/zinc/26/93/62/210269362.db2.gz DKAZKQVGVCZXNP-FQEVSTJZSA-N 1 0 336.479 4.064 50 0 EIAARO O=C(C[NH2+]Cc1cccs1)Nc1ccccc1Cc1ccccc1 ZINC000006939116 258052704 /nfs/dbraw/zinc/05/27/04/258052704.db2.gz AZWQHCWIUXHBEH-UHFFFAOYSA-N 1 0 336.460 4.067 50 0 EIAARO CCOC(=O)Nc1cccc(NCc2cn3cc(C)ccc3n2)c1C ZINC000095414837 258066997 /nfs/dbraw/zinc/06/69/97/258066997.db2.gz GSZAHOIDRLYZGC-UHFFFAOYSA-N 1 0 338.411 4.132 50 0 EIAARO C[C@H]([NH2+][C@H]1CCCc2ccccc21)C(=O)N1CCCc2ccccc21 ZINC000057369633 132199955 /nfs/dbraw/zinc/19/99/55/132199955.db2.gz GSANSHMHDXCJMM-JXFKEZNVSA-N 1 0 334.463 4.022 50 0 EIAARO c1cn(CC2CC2)c([C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)n1 ZINC000082099863 132818473 /nfs/dbraw/zinc/81/84/73/132818473.db2.gz MSYSQNVXCJKLRE-KRWDZBQOSA-N 1 0 332.451 4.225 50 0 EIAARO C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cncc(F)c1 ZINC000164996605 226106041 /nfs/dbraw/zinc/10/60/41/226106041.db2.gz QNWGPYRIGBWJJF-DEYYWGMASA-N 1 0 333.476 4.016 50 0 EIAARO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000072305257 563914746 /nfs/dbraw/zinc/91/47/46/563914746.db2.gz CLZCHNXWRMROKB-HUUCEWRRSA-N 1 0 340.920 4.193 50 0 EIAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000000236053 563264121 /nfs/dbraw/zinc/26/41/21/563264121.db2.gz OVZJXOAJPLUSBA-AWEZNQCLSA-N 1 0 343.298 4.074 50 0 EIAARO Cc1ccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000000291980 563273865 /nfs/dbraw/zinc/27/38/65/563273865.db2.gz BEYKRSJQCVCFBI-UHFFFAOYSA-N 1 0 334.385 4.336 50 0 EIAARO CC[C@@H](C[NH+](CC)CC)OC(=O)C(c1ccccc1)c1ccccc1 ZINC000002023259 563418240 /nfs/dbraw/zinc/41/82/40/563418240.db2.gz MLDAYGZPPRLGLE-FQEVSTJZSA-N 1 0 339.479 4.482 50 0 EIAARO O=C(c1cc(F)c(F)c(F)c1)c1ccccc1C[NH+]1CCCCC1 ZINC000002515534 563436607 /nfs/dbraw/zinc/43/66/07/563436607.db2.gz DJJJPRHWAAHMBM-UHFFFAOYSA-N 1 0 333.353 4.321 50 0 EIAARO CCOc1ccc(Nc2cc(C)[nH+]c3ccc(C(=O)OC)cc23)cc1 ZINC000005980332 563556645 /nfs/dbraw/zinc/55/66/45/563556645.db2.gz FEAYFZPIUOIJEG-UHFFFAOYSA-N 1 0 336.391 4.472 50 0 EIAARO CCc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006698781 563578997 /nfs/dbraw/zinc/57/89/97/563578997.db2.gz NURLIBFLNBHRHF-UHFFFAOYSA-N 1 0 337.467 4.035 50 0 EIAARO COc1ccc(C[NH2+]Cc2ccc(-c3ccc([C@@H](C)O)cc3)o2)cc1 ZINC000007541260 563605479 /nfs/dbraw/zinc/60/54/79/563605479.db2.gz GVMPSTZBLBPSKY-OAHLLOKOSA-N 1 0 337.419 4.298 50 0 EIAARO COc1ccc(-c2nc(C[N@@H+]3C[C@H]4C[C@@H]3CCC4)c(C)o2)cc1OC ZINC000012747028 563670083 /nfs/dbraw/zinc/67/00/83/563670083.db2.gz WEFJKZWIDJTRMJ-ZBFHGGJFSA-N 1 0 342.439 4.042 50 0 EIAARO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(C)ccc2OC)c1 ZINC000032751516 563724358 /nfs/dbraw/zinc/72/43/58/563724358.db2.gz KLAZYOKTYBJMDQ-IBGZPJMESA-N 1 0 341.451 4.358 50 0 EIAARO CC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)c1 ZINC000014951103 563767679 /nfs/dbraw/zinc/76/76/79/563767679.db2.gz FFDIOOXVYXYKMI-OAHLLOKOSA-N 1 0 333.435 4.234 50 0 EIAARO CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000015078612 563776854 /nfs/dbraw/zinc/77/68/54/563776854.db2.gz KHSCJQGTMYZBEN-SFHVURJKSA-N 1 0 336.479 4.205 50 0 EIAARO CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000015831618 563793420 /nfs/dbraw/zinc/79/34/20/563793420.db2.gz WMGOXBPDWYADAH-SFHVURJKSA-N 1 0 340.467 4.144 50 0 EIAARO O=C(NCc1ccccc1Cl)C1CC[NH+](CC2CCCCC2)CC1 ZINC000015855939 563796241 /nfs/dbraw/zinc/79/62/41/563796241.db2.gz FBFKFKDYECGJRU-UHFFFAOYSA-N 1 0 348.918 4.249 50 0 EIAARO C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1 ZINC000016334390 563808787 /nfs/dbraw/zinc/80/87/87/563808787.db2.gz XBVNRJMTONRJKJ-UHFFFAOYSA-N 1 0 346.805 4.144 50 0 EIAARO CCCc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000016602715 563815843 /nfs/dbraw/zinc/81/58/43/563815843.db2.gz XWBQMYUINCPVIU-UHFFFAOYSA-N 1 0 342.508 4.095 50 0 EIAARO Fc1ccc(-c2c[n+](Cc3cccc(Cl)c3)c3n2CCC3)cc1 ZINC000016993989 563828079 /nfs/dbraw/zinc/82/80/79/563828079.db2.gz GICCRUHVQDMECO-UHFFFAOYSA-N 1 0 327.810 4.230 50 0 EIAARO CC[C@@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000024255874 563870206 /nfs/dbraw/zinc/87/02/06/563870206.db2.gz HLQHTTPDBNJYEQ-MRXNPFEDSA-N 1 0 348.899 4.027 50 0 EIAARO CC[C@H]([NH2+]CC(=O)N1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000024255878 563870216 /nfs/dbraw/zinc/87/02/16/563870216.db2.gz HLQHTTPDBNJYEQ-INIZCTEOSA-N 1 0 348.899 4.027 50 0 EIAARO C[N@H+](CCC(=O)Nc1ccccc1Cl)[C@@H]1CCc2ccccc21 ZINC000026915743 563894109 /nfs/dbraw/zinc/89/41/09/563894109.db2.gz QAJOMRQOPAKEAP-GOSISDBHSA-N 1 0 328.843 4.288 50 0 EIAARO Cc1ccccc1C[NH2+][C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000027222453 563894883 /nfs/dbraw/zinc/89/48/83/563894883.db2.gz FNHPKSWLKADVRY-NRFANRHFSA-N 1 0 331.463 4.407 50 0 EIAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCCCC1)c1ccccc1 ZINC000027662565 563898339 /nfs/dbraw/zinc/89/83/39/563898339.db2.gz PNBJIIGNWVFPEN-QGZVFWFLSA-N 1 0 328.481 4.095 50 0 EIAARO C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000028746544 563903919 /nfs/dbraw/zinc/90/39/19/563903919.db2.gz TXAVSPOSPDJSCM-OAHLLOKOSA-N 1 0 342.870 4.427 50 0 EIAARO COc1ccc(/C=C/C2=CC[N@H+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000000207095 563917125 /nfs/dbraw/zinc/91/71/25/563917125.db2.gz PFGACNCYPUZIOS-DORXLWPQSA-N 1 0 335.447 4.074 50 0 EIAARO C[C@@H]1C[NH+](CCCOc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000020167643 563918217 /nfs/dbraw/zinc/91/82/17/563918217.db2.gz QGNHCJSZAPKCOJ-QZTJIDSGSA-N 1 0 325.452 4.232 50 0 EIAARO C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000023280952 563918229 /nfs/dbraw/zinc/91/82/29/563918229.db2.gz FFGNWUUJSNHHRM-QGZVFWFLSA-N 1 0 326.459 4.011 50 0 EIAARO CC(C)(C)c1cc(C[N@@H+]2CCCC[C@H]2CO)cc(C(C)(C)C)c1O ZINC000004948523 563919036 /nfs/dbraw/zinc/91/90/36/563919036.db2.gz MELWRIWLVQKXIU-INIZCTEOSA-N 1 0 333.516 4.334 50 0 EIAARO Cc1ccc(-c2nc(C(=O)Nc3ccc(C[NH+](C)C)cc3)cs2)o1 ZINC000032976798 563920522 /nfs/dbraw/zinc/92/05/22/563920522.db2.gz XCYWUDKMLDGAHN-UHFFFAOYSA-N 1 0 341.436 4.025 50 0 EIAARO C[NH+](C)C(C)(C)CNc1nnc(-c2ccc(F)cc2)c2ccccc21 ZINC000033012158 563925063 /nfs/dbraw/zinc/92/50/63/563925063.db2.gz NAEYYUSIZZYBBS-UHFFFAOYSA-N 1 0 338.430 4.188 50 0 EIAARO Cc1ccccc1C[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000060339719 563931625 /nfs/dbraw/zinc/93/16/25/563931625.db2.gz HKJJFMIBUNTJMH-KRWDZBQOSA-N 1 0 332.488 4.074 50 0 EIAARO Cc1ccc(-c2ccc(C[NH2+]CCOc3ccccn3)o2)cc1Cl ZINC000057354905 563935580 /nfs/dbraw/zinc/93/55/80/563935580.db2.gz YLCILEYUXUDGHR-UHFFFAOYSA-N 1 0 342.826 4.472 50 0 EIAARO C[NH+](C)CCN(Cc1ccc(Cl)cc1)C(=O)/C=C/c1cccs1 ZINC000057995226 563936289 /nfs/dbraw/zinc/93/62/89/563936289.db2.gz AWRODFTUHOHKFD-MDZDMXLPSA-N 1 0 348.899 4.005 50 0 EIAARO CCc1cc2c(ncnc2NC[C@H](c2ccc(F)cc2)[NH+](C)C)s1 ZINC000059394320 563948832 /nfs/dbraw/zinc/94/88/32/563948832.db2.gz UDKUBFXQLGMUST-MRXNPFEDSA-N 1 0 344.459 4.108 50 0 EIAARO Cc1cccc(Oc2cc(C[NH2+][C@H](C)c3cnn(C)c3)ccn2)c1C ZINC000096478842 563955038 /nfs/dbraw/zinc/95/50/38/563955038.db2.gz DCVAYYUFCFCQGL-MRXNPFEDSA-N 1 0 336.439 4.075 50 0 EIAARO Cc1cc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@H]3C)cc2)c(C)n1 ZINC000065406506 563960230 /nfs/dbraw/zinc/96/02/30/563960230.db2.gz ARYQMEASKUQLJF-MRXNPFEDSA-N 1 0 337.467 4.243 50 0 EIAARO C[N@H+](Cc1cccn1-c1nccs1)Cc1cccc2cnccc21 ZINC000065536547 563961980 /nfs/dbraw/zinc/96/19/80/563961980.db2.gz SBGDBBOKBXQEFO-UHFFFAOYSA-N 1 0 334.448 4.114 50 0 EIAARO Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2cnc3ccccc3n2)c1 ZINC000071614568 563964672 /nfs/dbraw/zinc/96/46/72/563964672.db2.gz VQPGATAXBIXRMZ-QGZVFWFLSA-N 1 0 333.435 4.077 50 0 EIAARO Cc1ccccc1-c1ncc(-c2nccn2C2CC[NH+](C)CC2)s1 ZINC000071747847 563964988 /nfs/dbraw/zinc/96/49/88/563964988.db2.gz UZWJVHOGIHRUOK-UHFFFAOYSA-N 1 0 338.480 4.249 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCCCCC1 ZINC000060566518 563965928 /nfs/dbraw/zinc/96/59/28/563965928.db2.gz GTLGJSJCYNPZSE-UHFFFAOYSA-N 1 0 343.515 4.148 50 0 EIAARO C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc2c(ccc3ccccc23)o1 ZINC000097034660 563966921 /nfs/dbraw/zinc/96/69/21/563966921.db2.gz DUHKCAMTTOUQPZ-YCRPNKLZSA-N 1 0 339.435 4.026 50 0 EIAARO Cc1nnc(C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2C(F)(F)F)o1 ZINC000097110956 563967982 /nfs/dbraw/zinc/96/79/82/563967982.db2.gz IPVUBBHYIFUVFG-HIFRSBDPSA-N 1 0 339.361 4.213 50 0 EIAARO FC(F)Oc1cccc(CN2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC000077341813 563969075 /nfs/dbraw/zinc/96/90/75/563969075.db2.gz QRDHPWGAYNEPGU-QGZVFWFLSA-N 1 0 338.442 4.128 50 0 EIAARO Cc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000077356781 563969168 /nfs/dbraw/zinc/96/91/68/563969168.db2.gz QUZBWRIPHKBIOE-UHFFFAOYSA-N 1 0 332.451 4.160 50 0 EIAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000077407997 563969542 /nfs/dbraw/zinc/96/95/42/563969542.db2.gz ONLSHIILBNWDOY-QGZVFWFLSA-N 1 0 328.481 4.177 50 0 EIAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000060624331 563971152 /nfs/dbraw/zinc/97/11/52/563971152.db2.gz SMDBJPNGWSPXPM-GFCCVEGCSA-N 1 0 331.287 4.234 50 0 EIAARO c1ccc(C2(c3ccccc3)CCC[N@@H+](Cc3ncccn3)C2)cc1 ZINC000095505515 563977145 /nfs/dbraw/zinc/97/71/45/563977145.db2.gz DEYPTFIDQKGIIX-UHFFFAOYSA-N 1 0 329.447 4.059 50 0 EIAARO Cc1ccccc1CN(C)C(=O)CN(C)[C@H](C)c1ccccc1Cl ZINC000071954398 563983761 /nfs/dbraw/zinc/98/37/61/563983761.db2.gz ZINWHTRMBABYGB-MRXNPFEDSA-N 1 0 344.886 4.300 50 0 EIAARO Cc1cc(C)cc(NC(=S)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000000212633 563988522 /nfs/dbraw/zinc/98/85/22/563988522.db2.gz LMJXCDRJTCEXON-UHFFFAOYSA-N 1 0 347.553 4.126 50 0 EIAARO CC(C)N(C(=S)Nc1ccccc1F)C1CC[NH+](C(C)C)CC1 ZINC000000261514 563989678 /nfs/dbraw/zinc/98/96/78/563989678.db2.gz WVTWWHXUOYVNCV-UHFFFAOYSA-N 1 0 337.508 4.106 50 0 EIAARO Cc1ccc(Cl)cc1NC(=S)N1CCC([N@@H+](C)C(C)C)CC1 ZINC000000260955 563989909 /nfs/dbraw/zinc/98/99/09/563989909.db2.gz UYHRTPKWPCLNKX-UHFFFAOYSA-N 1 0 339.936 4.150 50 0 EIAARO C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)NC2CCCCC2)c2ccccc2)C1 ZINC000033870779 563996520 /nfs/dbraw/zinc/99/65/20/563996520.db2.gz VXGAVIRQFRIIMO-QKLQHJQFSA-N 1 0 328.500 4.155 50 0 EIAARO C[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273510741 564007791 /nfs/dbraw/zinc/00/77/91/564007791.db2.gz QXAKRJUXUJCLIM-UYAOXDASSA-N 1 0 339.414 4.054 50 0 EIAARO COc1ccccc1[C@@H](C(=O)c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000000523464 564021152 /nfs/dbraw/zinc/02/11/52/564021152.db2.gz MQNXBEOUQSAJES-TZIWHRDSSA-N 1 0 335.447 4.004 50 0 EIAARO Cc1cc2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc2[nH]1 ZINC000047305969 564026065 /nfs/dbraw/zinc/02/60/65/564026065.db2.gz NFSHVQQZOMNENA-UHFFFAOYSA-N 1 0 347.462 4.327 50 0 EIAARO Cc1noc([C@@H](C)[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)n1 ZINC000044585366 564027025 /nfs/dbraw/zinc/02/70/25/564027025.db2.gz MTLXDKGOZYFZRO-KDOFPFPSSA-N 1 0 346.434 4.342 50 0 EIAARO COc1ccc(Cl)cc1NC(=O)CC[N@H+](CCC(C)C)C1CC1 ZINC000048354051 564031293 /nfs/dbraw/zinc/03/12/93/564031293.db2.gz UYPHDAZOCDHIOY-UHFFFAOYSA-N 1 0 338.879 4.188 50 0 EIAARO C[C@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000032819602 564036219 /nfs/dbraw/zinc/03/62/19/564036219.db2.gz VSKWUMBRZWDRAM-HNNXBMFYSA-N 1 0 345.508 4.238 50 0 EIAARO OC1(C(F)(F)F)CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000225451271 564046896 /nfs/dbraw/zinc/04/68/96/564046896.db2.gz HUEAMFMYUOGAPX-UHFFFAOYSA-N 1 0 341.417 4.350 50 0 EIAARO Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3CCCO3)c3ccccc32)cc1 ZINC000247543613 564052746 /nfs/dbraw/zinc/05/27/46/564052746.db2.gz SXXRESMAIQOPQO-IBGZPJMESA-N 1 0 338.426 4.097 50 0 EIAARO Fc1ccc2c(c1)Sc1ccc(Cl)cc1[C@@H](N1CC[NH2+]CC1)C2 ZINC000252494470 564053494 /nfs/dbraw/zinc/05/34/94/564053494.db2.gz NWROBGNWTKLKBB-INIZCTEOSA-N 1 0 348.874 4.133 50 0 EIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccsc1 ZINC000025330017 564054111 /nfs/dbraw/zinc/05/41/11/564054111.db2.gz PVKCEKGPNTZONJ-CYBMUJFWSA-N 1 0 343.279 4.088 50 0 EIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1Cl)c1ccsc1 ZINC000025330016 564054117 /nfs/dbraw/zinc/05/41/17/564054117.db2.gz PVKCEKGPNTZONJ-ZDUSSCGKSA-N 1 0 343.279 4.088 50 0 EIAARO C[NH+]1CCN(c2ccccc2NC(=O)CCCC2CCCCC2)CC1 ZINC000012606061 564060519 /nfs/dbraw/zinc/06/05/19/564060519.db2.gz YJSNDPSFSJGBPA-UHFFFAOYSA-N 1 0 343.515 4.128 50 0 EIAARO C[C@@H](c1cccc(-c2ccc3c(c2)CN(C)C(=O)N3)c1)[NH+]1CCCC1 ZINC000534587722 564061182 /nfs/dbraw/zinc/06/11/82/564061182.db2.gz CPWSTSPHMWNPRA-HNNXBMFYSA-N 1 0 335.451 4.488 50 0 EIAARO C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012773359 564069091 /nfs/dbraw/zinc/06/90/91/564069091.db2.gz PTBYQWLNBXUIQE-YVEFUNNKSA-N 1 0 348.368 4.310 50 0 EIAARO C[C@H]([NH2+][C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012773368 564069096 /nfs/dbraw/zinc/06/90/96/564069096.db2.gz PTBYQWLNBXUIQE-SJCJKPOMSA-N 1 0 348.368 4.310 50 0 EIAARO C[S@](=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000085298489 564072445 /nfs/dbraw/zinc/07/24/45/564072445.db2.gz OUHROZZAPCETEG-WIOPSUGQSA-N 1 0 349.499 4.498 50 0 EIAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000012806093 564072496 /nfs/dbraw/zinc/07/24/96/564072496.db2.gz UIXWWPHXAOWDDU-UHFFFAOYSA-N 1 0 340.423 4.311 50 0 EIAARO CC(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000001460344 564073064 /nfs/dbraw/zinc/07/30/64/564073064.db2.gz GNZAGVVNUOIQBZ-UXHICEINSA-N 1 0 342.527 4.077 50 0 EIAARO Cc1csc(NC(=O)C[N@@H+](C)C2CCC(c3ccccc3)CC2)n1 ZINC000063563573 564073067 /nfs/dbraw/zinc/07/30/67/564073067.db2.gz LIHATYPQYVSROF-UHFFFAOYSA-N 1 0 343.496 4.048 50 0 EIAARO Cc1c2ccccc2n(Cc2ccccc2)c1NC(=O)C[NH+]1CCCC1 ZINC000075280229 564081482 /nfs/dbraw/zinc/08/14/82/564081482.db2.gz QXRUFOVHZNASFI-UHFFFAOYSA-N 1 0 347.462 4.032 50 0 EIAARO Cc1ccccc1C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575621095 564083970 /nfs/dbraw/zinc/08/39/70/564083970.db2.gz NMCNBGXNTDSPAO-SFHVURJKSA-N 1 0 338.476 4.242 50 0 EIAARO CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc(Br)c1 ZINC000090966603 564087120 /nfs/dbraw/zinc/08/71/20/564087120.db2.gz QUEQOOMYXCPJLE-HSMVNMDESA-N 1 0 326.278 4.446 50 0 EIAARO CC(C)Oc1ccc(C(=O)OCC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000001805980 564087795 /nfs/dbraw/zinc/08/77/95/564087795.db2.gz FMEJIPSHYUISGF-YLJYHZDGSA-N 1 0 345.483 4.285 50 0 biogenic EIAARO O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000241897346 564088429 /nfs/dbraw/zinc/08/84/29/564088429.db2.gz TXWWDYBOLGTKRI-SFTDATJTSA-N 1 0 334.463 4.017 50 0 EIAARO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000006587729 564092293 /nfs/dbraw/zinc/09/22/93/564092293.db2.gz GGOGYURSJVAMOY-FXAWDEMLSA-N 1 0 336.479 4.061 50 0 EIAARO C[C@H](c1ccc(-c2ccc3c(c2)NC(=O)CO3)cc1)[NH+]1CCCCC1 ZINC000426409416 564093628 /nfs/dbraw/zinc/09/36/28/564093628.db2.gz OHWUEFFSZXPHBJ-OAHLLOKOSA-N 1 0 336.435 4.231 50 0 EIAARO Cc1c(C)n(Cc2ccccc2)c2ncnc(NCc3ccco3)c12 ZINC000006661145 564095584 /nfs/dbraw/zinc/09/55/84/564095584.db2.gz BOXSQWGMRIUJAZ-UHFFFAOYSA-N 1 0 332.407 4.302 50 0 EIAARO CC[C@@H](C)[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169678054 564098140 /nfs/dbraw/zinc/09/81/40/564098140.db2.gz HMFGKMQAYOSYSC-DENIHFKCSA-N 1 0 341.495 4.173 50 0 EIAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1F ZINC000007437329 564108462 /nfs/dbraw/zinc/10/84/62/564108462.db2.gz VIIRPYDPEIMIDC-UHFFFAOYSA-N 1 0 346.833 4.005 50 0 EIAARO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)oc1C ZINC000170593954 564108972 /nfs/dbraw/zinc/10/89/72/564108972.db2.gz MYCAEKZZFUQCHT-LJQANCHMSA-N 1 0 327.424 4.329 50 0 EIAARO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000170601623 564109341 /nfs/dbraw/zinc/10/93/41/564109341.db2.gz AZNDSWXVZQQKBH-OXQOHEQNSA-N 1 0 346.434 4.247 50 0 EIAARO CC(=O)Nc1cc(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)ccc1F ZINC000089785058 564113759 /nfs/dbraw/zinc/11/37/59/564113759.db2.gz DDCCHXWVFAHEHD-KDOFPFPSSA-N 1 0 341.430 4.032 50 0 EIAARO c1ccc(N2CC[NH+](CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000089845631 564114244 /nfs/dbraw/zinc/11/42/44/564114244.db2.gz BZYYAAZMVZHGLB-UHFFFAOYSA-N 1 0 332.447 4.041 50 0 EIAARO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000089905208 564115091 /nfs/dbraw/zinc/11/50/91/564115091.db2.gz ZHDYRFGKIWPBRN-CYBMUJFWSA-N 1 0 335.831 4.182 50 0 EIAARO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc2ccccc21 ZINC000017113371 564116453 /nfs/dbraw/zinc/11/64/53/564116453.db2.gz DIJUYSHEKLLUFO-NRFANRHFSA-N 1 0 349.474 4.490 50 0 EIAARO Cc1ccc([C@H](C)NC(=O)CN2CCc3sccc3[C@H]2C)cc1C ZINC000252444158 564118470 /nfs/dbraw/zinc/11/84/70/564118470.db2.gz GPKDYWJVQIPDGQ-JKSUJKDBSA-N 1 0 342.508 4.161 50 0 EIAARO CCCOc1ccc(C[NH2+]Cc2c(C)nn(CCC)c2C)c(C)c1 ZINC000252485195 564119275 /nfs/dbraw/zinc/11/92/75/564119275.db2.gz GOYHOXDESMTOML-UHFFFAOYSA-N 1 0 329.488 4.297 50 0 EIAARO C[N@H+](Cc1ccncc1Cl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348807732 564120646 /nfs/dbraw/zinc/12/06/46/564120646.db2.gz JYPCLZQOMKZVJK-FUHWJXTLSA-N 1 0 334.822 4.226 50 0 EIAARO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194955680 564122632 /nfs/dbraw/zinc/12/26/32/564122632.db2.gz RGKVBYGSOFLQSW-WDEREUQCSA-N 1 0 341.377 4.180 50 0 EIAARO CSc1nnc(CN[C@H](C)c2ccc(SC(F)F)cc2)s1 ZINC000253418237 564130893 /nfs/dbraw/zinc/13/08/93/564130893.db2.gz XSTCXFIVOWSQFW-MRVPVSSYSA-N 1 0 347.481 4.426 50 0 EIAARO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3)C2)[nH]1 ZINC000355173123 564133927 /nfs/dbraw/zinc/13/39/27/564133927.db2.gz JADOKJXIZHFFKH-FQEVSTJZSA-N 1 0 332.451 4.160 50 0 EIAARO CC(C)C(=O)OC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000078822716 564137248 /nfs/dbraw/zinc/13/72/48/564137248.db2.gz UPXITFPVTSHUBP-GOEBONIOSA-N 1 0 343.389 4.288 50 0 EIAARO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000078896769 564137356 /nfs/dbraw/zinc/13/73/56/564137356.db2.gz QLPZJFPABJLGHL-WWGRRREGSA-N 1 0 342.405 4.003 50 0 EIAARO CC(C)([NH2+]Cc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1 ZINC000079065527 564137771 /nfs/dbraw/zinc/13/77/71/564137771.db2.gz QOHKZFIODVXMMS-UHFFFAOYSA-N 1 0 336.357 4.212 50 0 EIAARO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cccs3)CC2)cs1 ZINC000095422298 564140041 /nfs/dbraw/zinc/14/00/41/564140041.db2.gz QCSKNRNXMPCGFU-CYBMUJFWSA-N 1 0 335.542 4.076 50 0 EIAARO Cc1cc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1 ZINC000020514383 564140933 /nfs/dbraw/zinc/14/09/33/564140933.db2.gz VDHPRPLPVQRUDM-UHFFFAOYSA-N 1 0 340.414 4.398 50 0 EIAARO C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000095953914 564142469 /nfs/dbraw/zinc/14/24/69/564142469.db2.gz HBGRAGIMDFDLJN-INIZCTEOSA-N 1 0 346.478 4.318 50 0 EIAARO Fc1cccc(C[NH+]2CCC(c3nnc(-c4ccsc4)o3)CC2)c1 ZINC000096024376 564144881 /nfs/dbraw/zinc/14/48/81/564144881.db2.gz UIELZDAMONMNNS-UHFFFAOYSA-N 1 0 343.427 4.317 50 0 EIAARO Cc1ccc([C@H](C(=O)NC2CCCCC2)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000096319694 564146764 /nfs/dbraw/zinc/14/67/64/564146764.db2.gz VDERFUJMNKLXHF-LVCYWYKZSA-N 1 0 342.527 4.463 50 0 EIAARO CS[C@H](C)c1cccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000096434805 564148007 /nfs/dbraw/zinc/14/80/07/564148007.db2.gz POBGPZZOZZEIKX-CPUCHLNUSA-N 1 0 335.517 4.057 50 0 EIAARO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000096478025 564148516 /nfs/dbraw/zinc/14/85/16/564148516.db2.gz CQMSTLFMGHXWRX-IIBYNOLFSA-N 1 0 337.467 4.256 50 0 EIAARO CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1C ZINC000096489628 564148721 /nfs/dbraw/zinc/14/87/21/564148721.db2.gz SDNGPPJGHXBTAY-INIZCTEOSA-N 1 0 338.455 4.041 50 0 EIAARO COc1cccc2cc([C@@H](C)[NH2+][C@H](C)Cc3c(C)noc3C)oc21 ZINC000096493403 564148766 /nfs/dbraw/zinc/14/87/66/564148766.db2.gz RMBHCHRJRQYDGM-DGCLKSJQSA-N 1 0 328.412 4.328 50 0 EIAARO C[C@H](NC(=O)Nc1ccc(F)cc1)[C@H](c1cccs1)[NH+]1CCCC1 ZINC000003207161 564155971 /nfs/dbraw/zinc/15/59/71/564155971.db2.gz YWYIJPAYNZMWDV-SUMWQHHRSA-N 1 0 347.459 4.234 50 0 EIAARO Cc1ccc([C@@H](C(=O)NC2CCCC2)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000058012595 564157189 /nfs/dbraw/zinc/15/71/89/564157189.db2.gz RWNXKLSXBTXDBA-QKLQHJQFSA-N 1 0 328.500 4.073 50 0 EIAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccsc1 ZINC000031097332 564158791 /nfs/dbraw/zinc/15/87/91/564158791.db2.gz KOQUYSZSCHNJOK-INIZCTEOSA-N 1 0 335.448 4.092 50 0 EIAARO CN1CCC([NH2+]CC[C@@](C)(c2cccs2)c2ccccc2)CC1 ZINC000031808703 564159909 /nfs/dbraw/zinc/15/99/09/564159909.db2.gz ARUHXPBBCKUSRX-HXUWFJFHSA-N 1 0 328.525 4.128 50 0 EIAARO CC1(C)C[C@H]([NH2+][C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CCO1 ZINC000032124142 564160933 /nfs/dbraw/zinc/16/09/33/564160933.db2.gz UNXPLMJNVBBABN-XLIONFOSSA-N 1 0 339.435 4.052 50 0 biogenic EIAARO COc1ccc2c(c1)C=C(C[N@@H+]1CCCC[C@@H]1c1ccccn1)CO2 ZINC000670460436 564161045 /nfs/dbraw/zinc/16/10/45/564161045.db2.gz GGYCKLCUIBTGDW-HXUWFJFHSA-N 1 0 336.435 4.093 50 0 EIAARO CCCC[C@@H](C(=O)Nc1ccc2c(c1)CCCCO2)[NH+](CC)CC ZINC000004311084 564161620 /nfs/dbraw/zinc/16/16/20/564161620.db2.gz BHYBAAIXRVBIQG-SFHVURJKSA-N 1 0 332.488 4.241 50 0 EIAARO Cc1cc(C[NH2+][C@@H](C)c2ccncc2)c(C)n1-c1ccnn1C(C)C ZINC000007985280 564161833 /nfs/dbraw/zinc/16/18/33/564161833.db2.gz DXTGKGHPWAFTDC-INIZCTEOSA-N 1 0 337.471 4.117 50 0 EIAARO Cc1[nH]c2ccc(Br)cc2c(=O)c1C[NH+]1CCCCCC1 ZINC000008714155 564166637 /nfs/dbraw/zinc/16/66/37/564166637.db2.gz WVFDRULNHMMDDJ-UHFFFAOYSA-N 1 0 349.272 4.387 50 0 EIAARO Cc1cc(C)c2[nH]c(C)c(C[N@@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000008717570 564166837 /nfs/dbraw/zinc/16/68/37/564166837.db2.gz ZREGDZOGLRGNPO-UHFFFAOYSA-N 1 0 332.447 4.424 50 0 EIAARO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000008723659 564166965 /nfs/dbraw/zinc/16/69/65/564166965.db2.gz QRSBEGZJEAHYSN-HNAYVOBHSA-N 1 0 335.451 4.223 50 0 EIAARO CC(=O)c1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000008753073 564167290 /nfs/dbraw/zinc/16/72/90/564167290.db2.gz CEWPTAYMEWANIJ-FOIQADDNSA-N 1 0 338.451 4.203 50 0 EIAARO