smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000635901 193865834 /nfs/dbraw/zinc/86/58/34/193865834.db2.gz BCCLDKHKGGZOJH-RPBOFIJWSA-N 1 1 438.556 5.521 50 0 IKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000633739 193864953 /nfs/dbraw/zinc/86/49/53/193864953.db2.gz VFKJIMSMWKLQNW-RPWUZVMVSA-N 1 1 442.906 5.153 50 0 IKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)cc1 ZINC000001447600 132245571 /nfs/dbraw/zinc/24/55/71/132245571.db2.gz ONNABBXZQRKYBX-UHFFFAOYSA-N 1 1 446.938 5.084 50 0 IKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC3(CC2)OCCO3)c1 ZINC000001447625 132245582 /nfs/dbraw/zinc/24/55/82/132245582.db2.gz XTLRSGHZWXANFE-UHFFFAOYSA-N 1 1 446.938 5.084 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)O[C@H](C)C2)cc1Cl ZINC000001447687 132245604 /nfs/dbraw/zinc/24/56/04/132245604.db2.gz NHWRQMWDRHZODD-QZTJIDSGSA-N 1 1 432.955 5.663 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)cc1 ZINC000002714387 132256468 /nfs/dbraw/zinc/25/64/68/132256468.db2.gz AYFVDWIHYZAOAE-UHFFFAOYSA-N 1 1 445.570 5.723 50 0 IKAAMO Fc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000002714111 132256521 /nfs/dbraw/zinc/25/65/21/132256521.db2.gz PIZSBMZHAZVOCX-UHFFFAOYSA-N 1 1 449.533 5.553 50 0 IKAAMO C[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1 ZINC000002715091 132256558 /nfs/dbraw/zinc/25/65/58/132256558.db2.gz NWARYGWLCPPUFE-QGZVFWFLSA-N 1 1 447.380 6.086 50 0 IKAAMO c1ccc(Oc2cccc(C[NH+]3CCC(N4CCN(c5ccccc5)CC4)CC3)c2)cc1 ZINC000004549207 132272170 /nfs/dbraw/zinc/27/21/70/132272170.db2.gz ZBSGVXKIIFBCSW-UHFFFAOYSA-N 1 1 427.592 5.266 50 0 IKAAMO O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000008618183 132288828 /nfs/dbraw/zinc/28/88/28/132288828.db2.gz CRHOSTMLBFPCJJ-UHFFFAOYSA-N 1 1 434.849 5.261 50 0 IKAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000008636816 132289081 /nfs/dbraw/zinc/28/90/81/132289081.db2.gz PILXZMZRBXYXJV-UHFFFAOYSA-N 1 1 436.580 6.518 50 0 IKAAMO CC(C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 ZINC000013128045 132345476 /nfs/dbraw/zinc/34/54/76/132345476.db2.gz GQGZGVRBYNZNMQ-SANMLTNESA-N 1 1 449.620 5.026 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000035844685 519791373 /nfs/dbraw/zinc/79/13/73/519791373.db2.gz ODJZKUQZJMUOKY-LJQANCHMSA-N 1 1 448.960 7.255 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841206 519811960 /nfs/dbraw/zinc/81/19/60/519811960.db2.gz NCQNSBBKHFBJGX-IBGZPJMESA-N 1 1 432.505 6.741 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1F ZINC000035841251 519812052 /nfs/dbraw/zinc/81/20/52/519812052.db2.gz AKXLWFJMXIBRTM-IBGZPJMESA-N 1 1 432.505 6.741 50 0 IKAAMO CCCC[N@@H+](C)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)c1ccccc1Cl ZINC000012152288 520421427 /nfs/dbraw/zinc/42/14/27/520421427.db2.gz FWMMVHHBYOVBMN-UHFFFAOYSA-N 1 1 445.972 5.221 50 0 IKAAMO CCC[C@@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](CCC(C)C)CC2)n1 ZINC000035926130 520675653 /nfs/dbraw/zinc/67/56/53/520675653.db2.gz WKVAOHMUUVXRLU-OAQYLSRUSA-N 1 1 434.632 5.277 50 0 IKAAMO CCOc1cc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1OC ZINC000012438601 520697972 /nfs/dbraw/zinc/69/79/72/520697972.db2.gz SSTVUCKDVUPLRR-IBGZPJMESA-N 1 1 445.003 5.056 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2cccs2)cc1 ZINC000035681695 520837045 /nfs/dbraw/zinc/83/70/45/520837045.db2.gz UWLMOUXESFRJRG-UHFFFAOYSA-N 1 1 440.572 6.202 50 0 IKAAMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012283691 520978223 /nfs/dbraw/zinc/97/82/23/520978223.db2.gz FPNOSPYCSPYEES-OFNKIYASSA-N 1 1 446.513 5.117 50 0 IKAAMO CC[N@@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(C)cc21)Cc1ccccc1 ZINC000021934774 521019959 /nfs/dbraw/zinc/01/99/59/521019959.db2.gz AQDNZDAARGZLFI-UHFFFAOYSA-N 1 1 438.575 5.247 50 0 IKAAMO CCOc1ccc(NC(=O)C[N@@H+]2CCc3c(CC)c(C)sc3[C@H]2c2ccccc2)cc1 ZINC000021045628 521061339 /nfs/dbraw/zinc/06/13/39/521061339.db2.gz UBLFSUQIXRJLQV-RUZDIDTESA-N 1 1 434.605 5.604 50 0 IKAAMO CCOc1ccc(NC(=O)C[N@H+]2CCc3c(CC)c(C)sc3[C@H]2c2ccccc2)cc1 ZINC000021045628 521061344 /nfs/dbraw/zinc/06/13/44/521061344.db2.gz UBLFSUQIXRJLQV-RUZDIDTESA-N 1 1 434.605 5.604 50 0 IKAAMO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012758568 521245649 /nfs/dbraw/zinc/24/56/49/521245649.db2.gz VKGCMIGCTQKSNJ-FQEVSTJZSA-N 1 1 428.326 5.291 50 0 IKAAMO CCOc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868330 521277210 /nfs/dbraw/zinc/27/72/10/521277210.db2.gz JMHDKOKBJNUEFO-LOSJGSFVSA-N 1 1 432.004 5.088 50 0 IKAAMO CCOC(=O)c1ccc2c(c1)n(C[NH+]1CCC(Cc3ccccc3)CC1)c(=S)n2CC ZINC000012619245 521530960 /nfs/dbraw/zinc/53/09/60/521530960.db2.gz VFDMCATWLWTRIR-UHFFFAOYSA-N 1 1 437.609 5.281 50 0 IKAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3cccc(F)c3)c[nH]c21 ZINC000035889277 521793229 /nfs/dbraw/zinc/79/32/29/521793229.db2.gz VKFYBNWQKVTINI-CPJSRVTESA-N 1 1 449.614 5.772 50 0 IKAAMO COc1cc(-c2cccnc2)cc2c1OCC[N@H+](Cc1ccc(-c3ccccc3Cl)o1)C2 ZINC000012191312 521897610 /nfs/dbraw/zinc/89/76/10/521897610.db2.gz BLMLKHIXURNCJA-UHFFFAOYSA-N 1 1 446.934 6.065 50 0 IKAAMO COc1cc(-c2cccnc2)cc2c1OCC[N@@H+](Cc1ccc(-c3ccccc3Cl)o1)C2 ZINC000012191312 521897623 /nfs/dbraw/zinc/89/76/23/521897623.db2.gz BLMLKHIXURNCJA-UHFFFAOYSA-N 1 1 446.934 6.065 50 0 IKAAMO COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)CCc4ccccc4)C3)c(C)o2)ccc1F ZINC000020999681 521902602 /nfs/dbraw/zinc/90/26/02/521902602.db2.gz PVHSBFJZJUPUFH-OAQYLSRUSA-N 1 1 436.527 5.212 50 0 IKAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)CCc4ccccc4)C3)c(C)o2)ccc1F ZINC000020999681 521902615 /nfs/dbraw/zinc/90/26/15/521902615.db2.gz PVHSBFJZJUPUFH-OAQYLSRUSA-N 1 1 436.527 5.212 50 0 IKAAMO COC(=O)c1ccccc1C[N@H+](Cc1cccn1Cc1cccc(C)c1)CC1CCCCC1 ZINC000035841092 522261752 /nfs/dbraw/zinc/26/17/52/522261752.db2.gz DDTMHNSXXCSZJB-UHFFFAOYSA-N 1 1 444.619 6.214 50 0 IKAAMO CC[C@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532212 522485568 /nfs/dbraw/zinc/48/55/68/522485568.db2.gz BTMYUAQTDYROAJ-FQEVSTJZSA-N 1 1 436.625 5.806 50 0 IKAAMO C[N@@H+](CCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)C1CCCCC1 ZINC000021916107 522859824 /nfs/dbraw/zinc/85/98/24/522859824.db2.gz RCJLOBFWJPAEJY-UHFFFAOYSA-N 1 1 448.611 5.056 50 0 IKAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@@H]2CCCN(C(=O)C3CCCCC3)C2)cc1 ZINC000012217653 522953738 /nfs/dbraw/zinc/95/37/38/522953738.db2.gz KOQRWRCUXSEODE-AREMUKBSSA-N 1 1 448.651 5.559 50 0 IKAAMO COCc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)o1 ZINC000012441104 522971785 /nfs/dbraw/zinc/97/17/85/522971785.db2.gz FPPXPTAGJUQXJI-OAQYLSRUSA-N 1 1 443.547 5.425 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3OC)C2)cc1 ZINC000012229178 523138775 /nfs/dbraw/zinc/13/87/75/523138775.db2.gz LBCCVJZUKKLESZ-JOCHJYFZSA-N 1 1 430.548 5.222 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000012747727 523139273 /nfs/dbraw/zinc/13/92/73/523139273.db2.gz IKCBHHRRFCLVAC-OAQYLSRUSA-N 1 1 448.538 5.361 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](COc4ccccc4F)C3)c(C)o2)cc1OC ZINC000012579971 523202854 /nfs/dbraw/zinc/20/28/54/523202854.db2.gz OAQWLYPEOLKNIO-GOSISDBHSA-N 1 1 440.515 5.097 50 0 IKAAMO COc1ccc(CC[NH+]2CCC(CN(C)Cc3nc(-c4cccs4)oc3C)CC2)cc1 ZINC000012454850 523949799 /nfs/dbraw/zinc/94/97/99/523949799.db2.gz BOOQATCESWTTKY-UHFFFAOYSA-N 1 1 439.625 5.107 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(OC)c1OC ZINC000012126283 524029075 /nfs/dbraw/zinc/02/90/75/524029075.db2.gz ZSMYPPSJGIUZBJ-KRWDZBQOSA-N 1 1 441.959 5.136 50 0 IKAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031697 524097455 /nfs/dbraw/zinc/09/74/55/524097455.db2.gz GQJPQRAUFOZQBB-XMMPIXPASA-N 1 1 427.947 5.538 50 0 IKAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012761987 524118933 /nfs/dbraw/zinc/11/89/33/524118933.db2.gz CWGBUZYNHAODOK-FQEVSTJZSA-N 1 1 426.900 5.378 50 0 IKAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012761987 524118936 /nfs/dbraw/zinc/11/89/36/524118936.db2.gz CWGBUZYNHAODOK-FQEVSTJZSA-N 1 1 426.900 5.378 50 0 IKAAMO Cc1cccc(C[N@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)[C@H](C)C(C)C)c1 ZINC000035844684 524382185 /nfs/dbraw/zinc/38/21/85/524382185.db2.gz UFUOOFYQELCVPN-OAQYLSRUSA-N 1 1 428.542 6.910 50 0 IKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C2CCCCC2)c1 ZINC000035844704 524494276 /nfs/dbraw/zinc/49/42/76/524494276.db2.gz JGPJBMMMMDZUTJ-UHFFFAOYSA-N 1 1 440.553 7.199 50 0 IKAAMO COc1ccccc1[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)[NH+]1CCCC1 ZINC000012786265 524793450 /nfs/dbraw/zinc/79/34/50/524793450.db2.gz SBCQHWAVINAONR-KRWDZBQOSA-N 1 1 432.948 5.269 50 0 IKAAMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012453767 524809306 /nfs/dbraw/zinc/80/93/06/524809306.db2.gz JSUYQPIJWVUBEY-LJQANCHMSA-N 1 1 426.900 5.378 50 0 IKAAMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012453767 524809317 /nfs/dbraw/zinc/80/93/17/524809317.db2.gz JSUYQPIJWVUBEY-LJQANCHMSA-N 1 1 426.900 5.378 50 0 IKAAMO COc1ccc(OC[C@@H]2CCC[N@@H+](Cc3nc(-c4ccc(F)c(OC)c4)oc3C)C2)cc1 ZINC000012575325 524968165 /nfs/dbraw/zinc/96/81/65/524968165.db2.gz UUCLJVQBOBDWTI-GOSISDBHSA-N 1 1 440.515 5.097 50 0 IKAAMO Cc1ccccc1C[N@H+](C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000012529087 525127223 /nfs/dbraw/zinc/12/72/23/525127223.db2.gz FFNRRPJHNGFQPC-LJAQVGFWSA-N 1 1 447.582 5.958 50 0 IKAAMO Cc1ccccc1C[N@@H+](C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000012529087 525127229 /nfs/dbraw/zinc/12/72/29/525127229.db2.gz FFNRRPJHNGFQPC-LJAQVGFWSA-N 1 1 447.582 5.958 50 0 IKAAMO Cc1ccccc1C[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000035841169 525130645 /nfs/dbraw/zinc/13/06/45/525130645.db2.gz GDPBYFRKWGONQD-UHFFFAOYSA-N 1 1 448.532 7.066 50 0 IKAAMO Cc1[nH]c2ccc(NC(=O)C(C)(C)C)cc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021659667 525429187 /nfs/dbraw/zinc/42/91/87/525429187.db2.gz BUSSTCAPCNXAIY-XMMPIXPASA-N 1 1 427.552 5.761 50 0 IKAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc12 ZINC000020985367 525684800 /nfs/dbraw/zinc/68/48/00/525684800.db2.gz NDZKJULFSUFZCM-UHFFFAOYSA-N 1 1 431.624 5.691 50 0 IKAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](COc4cccc(C)c4)C3)c(C)o2)c1OC ZINC000020600288 525724160 /nfs/dbraw/zinc/72/41/60/525724160.db2.gz XQUVXWJYLDLEPA-FQEVSTJZSA-N 1 1 436.552 5.267 50 0 IKAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000021331339 526169982 /nfs/dbraw/zinc/16/99/82/526169982.db2.gz MODKXLFNXCJTTB-NVXWUHKLSA-N 1 1 444.457 5.167 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000021527957 526247295 /nfs/dbraw/zinc/24/72/95/526247295.db2.gz CJALUMQFKCWFJQ-NRFANRHFSA-N 1 1 435.587 5.142 50 0 IKAAMO O[C@H](c1ccc2c(c1)C[N@@H+](C1CCSCC1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000012135169 526299506 /nfs/dbraw/zinc/29/95/06/526299506.db2.gz IQLCDMLCKVKFMB-MUUNZHRXSA-N 1 1 445.628 5.642 50 0 IKAAMO O=C(CCc1nc2ccccc2s1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021548626 526655334 /nfs/dbraw/zinc/65/53/34/526655334.db2.gz RQUOMONBFCLJDQ-UHFFFAOYSA-N 1 1 441.600 5.163 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC(Oc2ccccc2C)CC1 ZINC000012703403 526728533 /nfs/dbraw/zinc/72/85/33/526728533.db2.gz LQXUMQZMWRYEQR-UHFFFAOYSA-N 1 1 440.927 5.384 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000012430841 526729842 /nfs/dbraw/zinc/72/98/42/526729842.db2.gz HZPOWYFXBOVJHX-UHFFFAOYSA-N 1 1 426.442 5.487 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000012430841 526729849 /nfs/dbraw/zinc/72/98/49/526729849.db2.gz HZPOWYFXBOVJHX-UHFFFAOYSA-N 1 1 426.442 5.487 50 0 IKAAMO Cc1oc(-c2cccs2)nc1CN(C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012471578 526745665 /nfs/dbraw/zinc/74/56/65/526745665.db2.gz KFOVMCQZWDFKPG-FQEVSTJZSA-N 1 1 427.589 5.237 50 0 IKAAMO O=C(c1ccccc1OC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)N1CCCCC1 ZINC000012759339 526810559 /nfs/dbraw/zinc/81/05/59/526810559.db2.gz FWSQWJUVLUMLOZ-UHFFFAOYSA-N 1 1 430.951 5.149 50 0 IKAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N[C@H](c3nccn3C)c3ccccc3)c2c1C ZINC000012628225 526890950 /nfs/dbraw/zinc/89/09/50/526890950.db2.gz CDDVTHZYIOSZOS-QFIPXVFZSA-N 1 1 446.624 5.229 50 0 IKAAMO Clc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2ccco2)cc1Cl ZINC000040739805 526951253 /nfs/dbraw/zinc/95/12/53/526951253.db2.gz ICMFGJYRDCZTLH-UHFFFAOYSA-N 1 1 441.152 6.218 50 0 IKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)[nH+]1 ZINC000021795538 527003204 /nfs/dbraw/zinc/00/32/04/527003204.db2.gz AILURVHHYGPINP-UHFFFAOYSA-N 1 1 436.947 5.816 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021795538 527003206 /nfs/dbraw/zinc/00/32/06/527003206.db2.gz AILURVHHYGPINP-UHFFFAOYSA-N 1 1 436.947 5.816 50 0 IKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)[nH+]1 ZINC000021794220 527004985 /nfs/dbraw/zinc/00/49/85/527004985.db2.gz ABQLEEKLUPFTMB-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794220 527004990 /nfs/dbraw/zinc/00/49/90/527004990.db2.gz ABQLEEKLUPFTMB-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO O=C(Cc1c(Cl)cccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017103225 527197969 /nfs/dbraw/zinc/19/79/69/527197969.db2.gz PASLLAQFCGIHKW-UHFFFAOYSA-N 1 1 439.386 5.470 50 0 IKAAMO O=C(Cc1ccc(Cl)c(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509521 527219476 /nfs/dbraw/zinc/21/94/76/527219476.db2.gz HZGMSIVSNPXHIK-UHFFFAOYSA-N 1 1 439.386 5.470 50 0 IKAAMO O=C(Cc1cccc2ccccc21)NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766096 527273061 /nfs/dbraw/zinc/27/30/61/527273061.db2.gz AIKBYPLEXVHZAU-AREMUKBSSA-N 1 1 426.585 5.360 50 0 IKAAMO O=C(Cc1cccc2ccccc21)NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766096 527273067 /nfs/dbraw/zinc/27/30/67/527273067.db2.gz AIKBYPLEXVHZAU-AREMUKBSSA-N 1 1 426.585 5.360 50 0 IKAAMO O=C(Nc1ccccc1)c1ccc(C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000012787773 527398288 /nfs/dbraw/zinc/39/82/88/527398288.db2.gz NATFDPBBSVPDLV-MUUNZHRXSA-N 1 1 432.523 6.564 50 0 IKAAMO O[C@@H](c1ccc2c(c1)C[N@@H+](C1CCSCC1)CCO2)C(c1ccccc1)c1ccccc1 ZINC000012135171 527667147 /nfs/dbraw/zinc/66/71/47/527667147.db2.gz IQLCDMLCKVKFMB-NDEPHWFRSA-N 1 1 445.628 5.642 50 0 IKAAMO Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000651510 555522919 /nfs/dbraw/zinc/52/29/19/555522919.db2.gz QLHUSOZUPUCYAY-RPWUZVMVSA-N 1 1 426.907 5.453 50 0 IKAAMO Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000651512 555522933 /nfs/dbraw/zinc/52/29/33/555522933.db2.gz QLHUSOZUPUCYAY-DNQXCXABSA-N 1 1 426.907 5.453 50 0 IKAAMO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843540 555568396 /nfs/dbraw/zinc/56/83/96/555568396.db2.gz QIPZVDQHCSKCMN-PKTZIBPZSA-N 1 1 430.870 5.283 50 0 IKAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667473 555791726 /nfs/dbraw/zinc/79/17/26/555791726.db2.gz YAXFIAZKGNUNPQ-UZTOHYMASA-N 1 1 444.550 5.019 50 0 IKAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667473 555791729 /nfs/dbraw/zinc/79/17/29/555791729.db2.gz YAXFIAZKGNUNPQ-UZTOHYMASA-N 1 1 444.550 5.019 50 0 IKAAMO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671808 555793109 /nfs/dbraw/zinc/79/31/09/555793109.db2.gz DSRVWTDQIQUZFF-JIPXPUAJSA-N 1 1 428.576 5.046 50 0 IKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671812 555793181 /nfs/dbraw/zinc/79/31/81/555793181.db2.gz ACMDUCRFEHHFLQ-KMRXNPHXSA-N 1 1 440.587 5.189 50 0 IKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc3ccccc3c2)cc1 ZINC000002752174 555810538 /nfs/dbraw/zinc/81/05/38/555810538.db2.gz NMRBDRXLBYYZIQ-UHFFFAOYSA-N 1 1 439.555 6.212 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698795 555812343 /nfs/dbraw/zinc/81/23/43/555812343.db2.gz CDIYKANMJTXJDE-SQHAQQRYSA-N 1 1 429.608 5.100 50 0 IKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000034698985 555812376 /nfs/dbraw/zinc/81/23/76/555812376.db2.gz MTFSYEJGJHCSJB-ZEQKJWHPSA-N 1 1 445.582 5.235 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2c2ccccc2)cc1 ZINC000034698958 555812506 /nfs/dbraw/zinc/81/25/06/555812506.db2.gz JCSKEPZSDKRCKX-RRPNLBNLSA-N 1 1 430.592 5.602 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698796 555812574 /nfs/dbraw/zinc/81/25/74/555812574.db2.gz JTQNFLGWCQNANH-AOYPEHQESA-N 1 1 432.633 5.823 50 0 IKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)o1 ZINC000034699034 555812733 /nfs/dbraw/zinc/81/27/33/555812733.db2.gz SFWPBGNZGFMNNH-SQHAQQRYSA-N 1 1 448.582 5.741 50 0 IKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000034699006 555812805 /nfs/dbraw/zinc/81/28/05/555812805.db2.gz RJNAEEVBEKVLCJ-WIOPSUGQSA-N 1 1 436.596 5.654 50 0 IKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccsc4)CC3)nc2)cc1 ZINC000034681643 555814906 /nfs/dbraw/zinc/81/49/06/555814906.db2.gz QDISKMUVHFEBHJ-UHFFFAOYSA-N 1 1 448.636 5.405 50 0 IKAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711272 555824391 /nfs/dbraw/zinc/82/43/91/555824391.db2.gz GSEIMQAEPFIHEQ-DHIUTWEWSA-N 1 1 432.539 5.387 50 0 IKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)C[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711276 555824517 /nfs/dbraw/zinc/82/45/17/555824517.db2.gz ZJSKDGOQOFWAHE-RMUDUWAUSA-N 1 1 430.567 5.617 50 0 IKAAMO Cc1cccc([C@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711213 555824585 /nfs/dbraw/zinc/82/45/85/555824585.db2.gz YDMKWTYGMQDKGS-IZZNHLLZSA-N 1 1 430.567 5.099 50 0 IKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)c1 ZINC000002917728 555862876 /nfs/dbraw/zinc/86/28/76/555862876.db2.gz KOOYNMZLBRIKGB-BJKOFHAPSA-N 1 1 442.906 5.153 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccc(OCc4ccccc4)cc2)[C@H]3CCC1 ZINC000002928811 555863838 /nfs/dbraw/zinc/86/38/38/555863838.db2.gz ZKXQQIFTFHUHNW-LJAQVGFWSA-N 1 1 436.599 6.812 50 0 IKAAMO C[N@@H+](CC[C@H](Oc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000034728475 555868751 /nfs/dbraw/zinc/86/87/51/555868751.db2.gz MEIDFSKYSGUDDH-NRFANRHFSA-N 1 1 427.903 5.850 50 0 IKAAMO Cc1cccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC000034725849 555882169 /nfs/dbraw/zinc/88/21/69/555882169.db2.gz HEEJQKPPWHVUHG-UHFFFAOYSA-N 1 1 449.545 5.286 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740308 555883318 /nfs/dbraw/zinc/88/33/18/555883318.db2.gz FTEMDHPRYDJKCC-XUZZJYLKSA-N 1 1 428.642 5.113 50 0 IKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000004201893 555976001 /nfs/dbraw/zinc/97/60/01/555976001.db2.gz AYPMXCIGTQUCFB-RPWUZVMVSA-N 1 1 442.906 5.153 50 0 IKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1 ZINC000004489253 555997158 /nfs/dbraw/zinc/99/71/58/555997158.db2.gz YNUJTPYGRSHRKJ-UHFFFAOYSA-N 1 1 425.475 5.337 50 0 IKAAMO CSc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000002707431 556124185 /nfs/dbraw/zinc/12/41/85/556124185.db2.gz XWJJRFFVLPQTDN-FCHUYYIVSA-N 1 1 430.558 5.274 50 0 IKAAMO CSc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000002707429 556124204 /nfs/dbraw/zinc/12/42/04/556124204.db2.gz XWJJRFFVLPQTDN-YADHBBJMSA-N 1 1 430.558 5.274 50 0 IKAAMO COc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000002714619 556129785 /nfs/dbraw/zinc/12/97/85/556129785.db2.gz CHUZCOWCCRCZOO-UHFFFAOYSA-N 1 1 440.934 6.362 50 0 IKAAMO Fc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002714452 556129796 /nfs/dbraw/zinc/12/97/96/556129796.db2.gz PEESHPSQBNOOEO-UHFFFAOYSA-N 1 1 428.898 6.492 50 0 IKAAMO COc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002714434 556129805 /nfs/dbraw/zinc/12/98/05/556129805.db2.gz HVFBMXABDVYYKJ-UHFFFAOYSA-N 1 1 440.934 6.362 50 0 IKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccc(Cl)c2)cc1 ZINC000002715179 556130125 /nfs/dbraw/zinc/13/01/25/556130125.db2.gz WUCWCMWYPHQAAD-UHFFFAOYSA-N 1 1 440.934 6.362 50 0 IKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000002715057 556130180 /nfs/dbraw/zinc/13/01/80/556130180.db2.gz AMPJVUICWINWDE-UHFFFAOYSA-N 1 1 447.380 6.230 50 0 IKAAMO Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002915345 556149112 /nfs/dbraw/zinc/14/91/12/556149112.db2.gz JYJZEMKRIHSWLE-LOSJGSFVSA-N 1 1 440.934 5.761 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000002974799 556152763 /nfs/dbraw/zinc/15/27/63/556152763.db2.gz OUICTWJDDDSLHH-UHFFFAOYSA-N 1 1 434.543 6.141 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC2=CCCCC2)cc1Cl ZINC000002974739 556152866 /nfs/dbraw/zinc/15/28/66/556152866.db2.gz UOEOLHDPPZKIGP-UHFFFAOYSA-N 1 1 442.994 7.352 50 0 IKAAMO Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000008682650 556199286 /nfs/dbraw/zinc/19/92/86/556199286.db2.gz PNTVSUDFVUTGCM-UHFFFAOYSA-N 1 1 448.994 5.235 50 0 IKAAMO CCOc1c(Br)cc(C[NH2+][C@H](C)c2ccccc2Br)cc1OC ZINC000022777553 556237156 /nfs/dbraw/zinc/23/71/56/556237156.db2.gz QWHCTNOFCVIMMU-GFCCVEGCSA-N 1 1 443.179 5.470 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000009066247 556244793 /nfs/dbraw/zinc/24/47/93/556244793.db2.gz GSWNPNRRJILESS-GOSISDBHSA-N 1 1 434.348 5.732 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000009066247 556244800 /nfs/dbraw/zinc/24/48/00/556244800.db2.gz GSWNPNRRJILESS-GOSISDBHSA-N 1 1 434.348 5.732 50 0 IKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000013712947 556285276 /nfs/dbraw/zinc/28/52/76/556285276.db2.gz NDKVNSJUHRMKDC-PKTZIBPZSA-N 1 1 430.870 5.283 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000009804765 556308975 /nfs/dbraw/zinc/30/89/75/556308975.db2.gz WODQXXLVCVXCEC-SFHVURJKSA-N 1 1 444.354 5.187 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000009804765 556308977 /nfs/dbraw/zinc/30/89/77/556308977.db2.gz WODQXXLVCVXCEC-SFHVURJKSA-N 1 1 444.354 5.187 50 0 IKAAMO Cc1cccc(OCC(=O)N2CCC([N@@H+](CCc3ccccc3)Cc3ccccc3)CC2)c1 ZINC000009933421 556316936 /nfs/dbraw/zinc/31/69/36/556316936.db2.gz LHKQJQZZXYTVEZ-UHFFFAOYSA-N 1 1 442.603 5.110 50 0 IKAAMO Cc1cc(Cl)ccc1NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013880271 556325710 /nfs/dbraw/zinc/32/57/10/556325710.db2.gz VRBYBUQRSFEZIU-UHFFFAOYSA-N 1 1 436.024 5.752 50 0 IKAAMO CC[NH+]1CCN([C@H](c2sccc2C)c2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000022920974 556340592 /nfs/dbraw/zinc/34/05/92/556340592.db2.gz CREQXPHUTWNMTI-FQEVSTJZSA-N 1 1 443.638 5.307 50 0 IKAAMO CCN1CC[NH+]([C@H](c2sccc2C)c2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000022920974 556340596 /nfs/dbraw/zinc/34/05/96/556340596.db2.gz CREQXPHUTWNMTI-FQEVSTJZSA-N 1 1 443.638 5.307 50 0 IKAAMO Cc1nc2sccn2c1CN(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011663870 556344700 /nfs/dbraw/zinc/34/47/00/556344700.db2.gz QMSJPTHWNCOGKN-JOCHJYFZSA-N 1 1 437.657 5.146 50 0 IKAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cc(C(C)C)n[nH]4)C3)cc2)c1 ZINC000011664567 556345287 /nfs/dbraw/zinc/34/52/87/556345287.db2.gz ZYGZIPWXWYBMPX-OAQYLSRUSA-N 1 1 432.568 5.059 50 0 IKAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000014071071 556361164 /nfs/dbraw/zinc/36/11/64/556361164.db2.gz WBSFZQZSBMCBBX-IBGZPJMESA-N 1 1 434.609 5.105 50 0 IKAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000014071071 556361168 /nfs/dbraw/zinc/36/11/68/556361168.db2.gz WBSFZQZSBMCBBX-IBGZPJMESA-N 1 1 434.609 5.105 50 0 IKAAMO Cc1nc([C@@H](C)[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c(C)s1 ZINC000011842749 556366369 /nfs/dbraw/zinc/36/63/69/556366369.db2.gz TVCGGJHUWFVWQL-OAHLLOKOSA-N 1 1 438.547 6.050 50 0 IKAAMO Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000011871209 556368960 /nfs/dbraw/zinc/36/89/60/556368960.db2.gz XHGZWJQNAGIFBL-OFNKIYASSA-N 1 1 430.514 5.335 50 0 IKAAMO COc1cccc(-c2nc(C[N@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)c1OC ZINC000011873148 556369511 /nfs/dbraw/zinc/36/95/11/556369511.db2.gz QOOWMCUYBUXBGM-UHFFFAOYSA-N 1 1 446.551 5.102 50 0 IKAAMO COc1cccc(-c2nc(C[N@@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)c1OC ZINC000011873148 556369515 /nfs/dbraw/zinc/36/95/15/556369515.db2.gz QOOWMCUYBUXBGM-UHFFFAOYSA-N 1 1 446.551 5.102 50 0 IKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cc1Cl ZINC000011879125 556371723 /nfs/dbraw/zinc/37/17/23/556371723.db2.gz ZCHZWHOGOKMWRH-MRXNPFEDSA-N 1 1 448.032 5.315 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc4c(s3)CCCC4)C2)cc1Cl ZINC000011879124 556371766 /nfs/dbraw/zinc/37/17/66/556371766.db2.gz ZCHZWHOGOKMWRH-INIZCTEOSA-N 1 1 448.032 5.315 50 0 IKAAMO COc1cccc(NC(=O)[C@@H]([NH2+]Cc2ccc(-c3csc(C)n3)s2)c2ccccc2)c1 ZINC000014123997 556372868 /nfs/dbraw/zinc/37/28/68/556372868.db2.gz YCQNHAFPMBVWBV-QHCPKHFHSA-N 1 1 449.601 5.658 50 0 IKAAMO COc1ccc(-n2cc(C[NH2+][C@H](C)c3csc(C)n3)c(-c3ccccc3Cl)n2)cc1 ZINC000011934564 556377459 /nfs/dbraw/zinc/37/74/59/556377459.db2.gz GERSQPYVLHQNQE-OAHLLOKOSA-N 1 1 438.984 5.817 50 0 IKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000014142362 556377592 /nfs/dbraw/zinc/37/75/92/556377592.db2.gz MPTXVOXIWWWTQZ-RUZDIDTESA-N 1 1 441.556 5.318 50 0 IKAAMO CCOc1ccccc1-c1nc(C[N@H+](C)Cc2cccc(-n3nc(C)cc3C)c2)c(C)o1 ZINC000011934302 556377642 /nfs/dbraw/zinc/37/76/42/556377642.db2.gz DDMLYFWHRLHZMO-UHFFFAOYSA-N 1 1 430.552 5.483 50 0 IKAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)Cc2cccc(-n3nc(C)cc3C)c2)c(C)o1 ZINC000011934302 556377644 /nfs/dbraw/zinc/37/76/44/556377644.db2.gz DDMLYFWHRLHZMO-UHFFFAOYSA-N 1 1 430.552 5.483 50 0 IKAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011935165 556377914 /nfs/dbraw/zinc/37/79/14/556377914.db2.gz AOWDZRRWLIPUML-GOSISDBHSA-N 1 1 438.522 5.294 50 0 IKAAMO CC(=O)Nc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000011937591 556379627 /nfs/dbraw/zinc/37/96/27/556379627.db2.gz CYHHJKJBSWMOQA-VWLOTQADSA-N 1 1 434.628 5.087 50 0 IKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c(OC)c1C ZINC000012021274 556386727 /nfs/dbraw/zinc/38/67/27/556386727.db2.gz RDDDEKDCCLFIBP-NRFANRHFSA-N 1 1 436.552 5.157 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c(OC)c1C ZINC000012021274 556386732 /nfs/dbraw/zinc/38/67/32/556386732.db2.gz RDDDEKDCCLFIBP-NRFANRHFSA-N 1 1 436.552 5.157 50 0 IKAAMO Cc1nc2cc(NC(=O)[C@@H]3C[C@H](Sc4ccc(F)cc4)C[N@@H+]3C(C)C)ccc2s1 ZINC000012034561 556389239 /nfs/dbraw/zinc/38/92/39/556389239.db2.gz QCHINKUVPGPZHY-ICSRJNTNSA-N 1 1 429.586 5.326 50 0 IKAAMO Cc1nn(C)cc1C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012072433 556396128 /nfs/dbraw/zinc/39/61/28/556396128.db2.gz BCMHLMHYNHHZCY-UHFFFAOYSA-N 1 1 425.536 5.019 50 0 IKAAMO Cc1nn(C)cc1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000012072433 556396129 /nfs/dbraw/zinc/39/61/29/556396129.db2.gz BCMHLMHYNHHZCY-UHFFFAOYSA-N 1 1 425.536 5.019 50 0 IKAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC000012073780 556396541 /nfs/dbraw/zinc/39/65/41/556396541.db2.gz ZTHWJPDFMWKJNG-MRXNPFEDSA-N 1 1 438.515 5.600 50 0 IKAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC000012073780 556396544 /nfs/dbraw/zinc/39/65/44/556396544.db2.gz ZTHWJPDFMWKJNG-MRXNPFEDSA-N 1 1 438.515 5.600 50 0 IKAAMO CC(C)c1csc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)n1 ZINC000012074834 556397105 /nfs/dbraw/zinc/39/71/05/556397105.db2.gz DUWCOAFKRHFXIQ-QFIPXVFZSA-N 1 1 426.674 5.708 50 0 IKAAMO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014732419 556437183 /nfs/dbraw/zinc/43/71/83/556437183.db2.gz QRHFXSGCVAZHLM-WIOPSUGQSA-N 1 1 448.582 5.412 50 0 IKAAMO FC(F)(F)c1cccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)c1 ZINC000014789028 556445502 /nfs/dbraw/zinc/44/55/02/556445502.db2.gz LOJBJQRNSBEZDQ-UHFFFAOYSA-N 1 1 444.482 5.745 50 0 IKAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028286850 556447665 /nfs/dbraw/zinc/44/76/65/556447665.db2.gz SBWOYIDHOVCYGA-NRFANRHFSA-N 1 1 444.362 5.605 50 0 IKAAMO O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013097984 556458798 /nfs/dbraw/zinc/45/87/98/556458798.db2.gz XSVUTCULWFWJEI-UHFFFAOYSA-N 1 1 441.962 5.513 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(-n4cccn4)c3)c(C)o2)c2ccccc12 ZINC000014949612 556460297 /nfs/dbraw/zinc/46/02/97/556460297.db2.gz GPDJLHUDSOWEEK-UHFFFAOYSA-N 1 1 438.531 5.630 50 0 IKAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(-n4cccn4)c3)c(C)o2)c2ccccc12 ZINC000014949612 556460300 /nfs/dbraw/zinc/46/03/00/556460300.db2.gz GPDJLHUDSOWEEK-UHFFFAOYSA-N 1 1 438.531 5.630 50 0 IKAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1oc2ccccc2c1COc1ccccc1 ZINC000013112850 556465936 /nfs/dbraw/zinc/46/59/36/556465936.db2.gz SJQSLCMHPCHDPA-QFIPXVFZSA-N 1 1 430.504 5.172 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000014972914 556467397 /nfs/dbraw/zinc/46/73/97/556467397.db2.gz NGRIOSMRYHKEBT-OAQYLSRUSA-N 1 1 429.564 5.151 50 0 IKAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000014975542 556468349 /nfs/dbraw/zinc/46/83/49/556468349.db2.gz OWCZHPWZBKUQEG-OAHLLOKOSA-N 1 1 442.913 5.032 50 0 IKAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000014975539 556468359 /nfs/dbraw/zinc/46/83/59/556468359.db2.gz OWCZHPWZBKUQEG-HNNXBMFYSA-N 1 1 442.913 5.032 50 0 IKAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000014978437 556469577 /nfs/dbraw/zinc/46/95/77/556469577.db2.gz XIUUYZCYAGFKQF-QZMUEMGWSA-N 1 1 433.621 5.031 50 0 IKAAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000014985718 556472657 /nfs/dbraw/zinc/47/26/57/556472657.db2.gz AFASECDMYGMMLO-QGZVFWFLSA-N 1 1 430.980 5.280 50 0 IKAAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000014985718 556472659 /nfs/dbraw/zinc/47/26/59/556472659.db2.gz AFASECDMYGMMLO-QGZVFWFLSA-N 1 1 430.980 5.280 50 0 IKAAMO CC[NH+](CC)[C@H](C(=O)Nc1cccc(-c2nccn2C)c1)c1cccc(C(F)(F)F)c1 ZINC000072284642 556475464 /nfs/dbraw/zinc/47/54/64/556475464.db2.gz OHJZWSHFYHCFIX-FQEVSTJZSA-N 1 1 430.474 5.128 50 0 IKAAMO CCOc1ccccc1C[N@@H+]1CCOc2c(cc(-c3cccc(OC)c3OC)cc2OC)C1 ZINC000015001173 556479892 /nfs/dbraw/zinc/47/98/92/556479892.db2.gz XFXQYSJGSLZGFT-UHFFFAOYSA-N 1 1 449.547 5.173 50 0 IKAAMO CCOc1ccccc1C[N@H+]1CCOc2c(cc(-c3cccc(OC)c3OC)cc2OC)C1 ZINC000015001173 556479895 /nfs/dbraw/zinc/47/98/95/556479895.db2.gz XFXQYSJGSLZGFT-UHFFFAOYSA-N 1 1 449.547 5.173 50 0 IKAAMO Fc1ccc2[nH]c(CN(Cc3cccnc3)C[C@H]3CCC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000015062833 556490897 /nfs/dbraw/zinc/49/08/97/556490897.db2.gz KIEATNDYXTUZGV-OAQYLSRUSA-N 1 1 435.591 5.144 50 0 IKAAMO Fc1ccc2nc(CN(Cc3cccnc3)C[C@H]3CCC[N@@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000015062833 556490898 /nfs/dbraw/zinc/49/08/98/556490898.db2.gz KIEATNDYXTUZGV-OAQYLSRUSA-N 1 1 435.591 5.144 50 0 IKAAMO Fc1ccc2nc(CN(Cc3cccnc3)C[C@H]3CCC[N@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000015062833 556490900 /nfs/dbraw/zinc/49/09/00/556490900.db2.gz KIEATNDYXTUZGV-OAQYLSRUSA-N 1 1 435.591 5.144 50 0 IKAAMO Fc1ccc2[nH]c(CN(Cc3cccnc3)C[C@@H]3CCC[N@H+](C4CCCCC4)C3)nc2c1 ZINC000015062831 556491119 /nfs/dbraw/zinc/49/11/19/556491119.db2.gz KIEATNDYXTUZGV-NRFANRHFSA-N 1 1 435.591 5.144 50 0 IKAAMO Fc1ccc2nc(CN(Cc3cccnc3)C[C@@H]3CCC[N@@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000015062831 556491121 /nfs/dbraw/zinc/49/11/21/556491121.db2.gz KIEATNDYXTUZGV-NRFANRHFSA-N 1 1 435.591 5.144 50 0 IKAAMO Fc1ccc2nc(CN(Cc3cccnc3)C[C@@H]3CCC[N@H+](C4CCCCC4)C3)[nH]c2c1 ZINC000015062831 556491123 /nfs/dbraw/zinc/49/11/23/556491123.db2.gz KIEATNDYXTUZGV-NRFANRHFSA-N 1 1 435.591 5.144 50 0 IKAAMO O=C(NC[C@@H]1CCC[N@H+](C2C3CC4CC(C3)CC2C4)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015063723 556491460 /nfs/dbraw/zinc/49/14/60/556491460.db2.gz HKMUWVDXRLVARO-ZBDKNZDGSA-N 1 1 427.032 5.025 50 0 IKAAMO c1nn(-c2ccccc2)cc1CN(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015070093 556495074 /nfs/dbraw/zinc/49/50/74/556495074.db2.gz OMTSSEJSSUJRNM-VWLOTQADSA-N 1 1 443.639 5.314 50 0 IKAAMO CCCC[N@@H+](Cc1ccccc1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000015071307 556496345 /nfs/dbraw/zinc/49/63/45/556496345.db2.gz ADMQXZZCTJVENH-NRFANRHFSA-N 1 1 442.987 5.252 50 0 IKAAMO O=C(CSc1ccccc1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015074092 556498160 /nfs/dbraw/zinc/49/81/60/556498160.db2.gz YBWNESZQYBYAGV-QHCPKHFHSA-N 1 1 437.653 5.247 50 0 IKAAMO Fc1ccc(OC2=CC[N@@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000031490532 556523921 /nfs/dbraw/zinc/52/39/21/556523921.db2.gz SPQMQDVUWOGSQF-UHFFFAOYSA-N 1 1 437.505 6.685 50 0 IKAAMO CC(=O)N[C@@H](CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(Cl)cc1 ZINC000032900679 556529793 /nfs/dbraw/zinc/52/97/93/556529793.db2.gz QVPQTYDPYCGFOS-DEOSSOPVSA-N 1 1 442.003 5.311 50 0 IKAAMO COc1ccc(C[N@@H+](Cc2cccc(O)c2)C2CCC(O)CC2)cc1SC(F)(F)F ZINC000072304897 556549677 /nfs/dbraw/zinc/54/96/77/556549677.db2.gz OGPLLCWLIOADGR-UHFFFAOYSA-N 1 1 441.515 5.318 50 0 IKAAMO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccco2)CC1 ZINC000015860074 556558489 /nfs/dbraw/zinc/55/84/89/556558489.db2.gz WAUVMBRNMIEXTM-HSZRJFAPSA-N 1 1 433.552 5.016 50 0 IKAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[NH+]2CCCCC2)o1 ZINC000015860446 556558725 /nfs/dbraw/zinc/55/87/25/556558725.db2.gz WAAOMYONJWTFQF-QHCPKHFHSA-N 1 1 433.552 5.079 50 0 IKAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)[NH+]2CCCCC2)o1 ZINC000015860445 556558812 /nfs/dbraw/zinc/55/88/12/556558812.db2.gz WAAOMYONJWTFQF-HSZRJFAPSA-N 1 1 433.552 5.079 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015946367 556567312 /nfs/dbraw/zinc/56/73/12/556567312.db2.gz GCEMVDDEIAMELI-JOCHJYFZSA-N 1 1 447.560 5.163 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000015946387 556567443 /nfs/dbraw/zinc/56/74/43/556567443.db2.gz JACKSZJIJSXWCP-HXUWFJFHSA-N 1 1 427.957 5.857 50 0 IKAAMO O=C1N[C@H](c2ccc(Cl)c(Cl)c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947392 556568030 /nfs/dbraw/zinc/56/80/30/556568030.db2.gz FZPAUWNOUMTNBQ-FQEVSTJZSA-N 1 1 444.387 6.042 50 0 IKAAMO O=C1N[C@H](c2ccc(Cl)c(Cl)c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947392 556568033 /nfs/dbraw/zinc/56/80/33/556568033.db2.gz FZPAUWNOUMTNBQ-FQEVSTJZSA-N 1 1 444.387 6.042 50 0 IKAAMO FC(F)(F)c1cc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000033808191 556568207 /nfs/dbraw/zinc/56/82/07/556568207.db2.gz UEVOGIYBBNKITJ-UHFFFAOYSA-N 1 1 447.448 5.239 50 0 IKAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000016033828 556577088 /nfs/dbraw/zinc/57/70/88/556577088.db2.gz FHCDSSAQYVTDRX-RZPHLTDDSA-N 1 1 445.987 5.234 50 0 biogenic,in-vitro IKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+]([C@@H]1CCc3ccccc3C1)CC2 ZINC000022023204 556577858 /nfs/dbraw/zinc/57/78/58/556577858.db2.gz GCHICBJQVBZXBS-KCWPFWIISA-N 1 1 433.979 5.862 50 0 IKAAMO C[NH+]1CCN([C@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000022938218 556578093 /nfs/dbraw/zinc/57/80/93/556578093.db2.gz SUDIGEWKAXAVIZ-QHCPKHFHSA-N 1 1 431.561 5.083 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@@H](O)C(C)C ZINC000036304534 556596482 /nfs/dbraw/zinc/59/64/82/556596482.db2.gz OEHOBRWBZZEJCC-RUZDIDTESA-N 1 1 437.584 5.211 50 0 IKAAMO Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4cccs4)nc4ccccc43)CC2)cc1 ZINC000016392108 556604475 /nfs/dbraw/zinc/60/44/75/556604475.db2.gz XAULPPIBWLRBBL-UHFFFAOYSA-N 1 1 427.573 5.230 50 0 IKAAMO COc1ccccc1[C@@H](Nc1cc(C)cc[nH+]1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546921 556613669 /nfs/dbraw/zinc/61/36/69/556613669.db2.gz MQHMMANIHSNKHH-JOCHJYFZSA-N 1 1 433.533 5.815 50 0 IKAAMO CSc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547014 556613959 /nfs/dbraw/zinc/61/39/59/556613959.db2.gz IKVZGTDWIBFNMN-QFIPXVFZSA-N 1 1 449.601 6.529 50 0 IKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546941 556613989 /nfs/dbraw/zinc/61/39/89/556613989.db2.gz KOJWJPUCXMKIRO-NRFANRHFSA-N 1 1 437.952 6.460 50 0 IKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546955 556614049 /nfs/dbraw/zinc/61/40/49/556614049.db2.gz PIDPWWQKEFSWAY-OAQYLSRUSA-N 1 1 437.952 6.460 50 0 IKAAMO COc1ccccc1[C@@H](Nc1cc(C)cc[nH+]1)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000038550993 556614302 /nfs/dbraw/zinc/61/43/02/556614302.db2.gz AVLFZSOEOVVAMD-XMMPIXPASA-N 1 1 443.572 6.222 50 0 IKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551005 556614362 /nfs/dbraw/zinc/61/43/62/556614362.db2.gz JZJYCINPOPYBCD-HSZRJFAPSA-N 1 1 431.536 6.353 50 0 IKAAMO Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)[nH+]1 ZINC000038547404 556614393 /nfs/dbraw/zinc/61/43/93/556614393.db2.gz LCNPJHUIYZXNNF-HSZRJFAPSA-N 1 1 444.560 5.772 50 0 IKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000038551011 556614591 /nfs/dbraw/zinc/61/45/91/556614591.db2.gz JUDYNLKQLXDUQO-QHCPKHFHSA-N 1 1 431.536 6.353 50 0 IKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000038551009 556614627 /nfs/dbraw/zinc/61/46/27/556614627.db2.gz HDFBDZAQOUQGHE-HSZRJFAPSA-N 1 1 431.536 6.353 50 0 IKAAMO COc1cc(OC)c(C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1Br ZINC000016662971 556621282 /nfs/dbraw/zinc/62/12/82/556621282.db2.gz ISSLWXWXLXJSEP-UHFFFAOYSA-N 1 1 440.381 5.711 50 0 IKAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(F)c1 ZINC000016671575 556621532 /nfs/dbraw/zinc/62/15/32/556621532.db2.gz IDTROOXJTQUDBU-ACMAXOTASA-N 1 1 433.523 5.512 50 0 IKAAMO COc1ccccc1/C=C/C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1c1cccc(F)c1 ZINC000016671575 556621536 /nfs/dbraw/zinc/62/15/36/556621536.db2.gz IDTROOXJTQUDBU-ACMAXOTASA-N 1 1 433.523 5.512 50 0 IKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000016672192 556622047 /nfs/dbraw/zinc/62/20/47/556622047.db2.gz PIELDJLKGZCLNU-OLNBYHENSA-N 1 1 433.979 6.408 50 0 IKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000016672192 556622049 /nfs/dbraw/zinc/62/20/49/556622049.db2.gz PIELDJLKGZCLNU-OLNBYHENSA-N 1 1 433.979 6.408 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000005044195 556627096 /nfs/dbraw/zinc/62/70/96/556627096.db2.gz LAPRBDWKIGWNPR-NBHGPNQESA-N 1 1 429.992 5.210 50 0 IKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NC4CCCCCCC4)C3)c(C)o2)cc1 ZINC000005055865 556627676 /nfs/dbraw/zinc/62/76/76/556627676.db2.gz CNRSWHKAKMCBJK-QHCPKHFHSA-N 1 1 437.628 5.654 50 0 IKAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)[C@@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000042942770 556660064 /nfs/dbraw/zinc/66/00/64/556660064.db2.gz QZPVXHSWRFPXNM-GHTZIAJQSA-N 1 1 436.987 5.304 50 0 IKAAMO COc1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1OCc1ccccc1 ZINC000043164415 556661090 /nfs/dbraw/zinc/66/10/90/556661090.db2.gz MLYBYDDAGOKMAX-NAKRPHOHSA-N 1 1 434.624 5.503 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248093663 556662373 /nfs/dbraw/zinc/66/23/73/556662373.db2.gz NJUUDVSYZBKBAT-LBNVMWSVSA-N 1 1 430.636 5.896 50 0 IKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000248108137 556662958 /nfs/dbraw/zinc/66/29/58/556662958.db2.gz RKGGBSVKGXHFPX-NOZRDPDXSA-N 1 1 443.591 5.364 50 0 IKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)o1 ZINC000248231961 556676562 /nfs/dbraw/zinc/67/65/62/556676562.db2.gz LAYZZVWVEAYMPA-IAPPQJPRSA-N 1 1 444.619 5.910 50 0 IKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248236234 556676814 /nfs/dbraw/zinc/67/68/14/556676814.db2.gz MTFSYEJGJHCSJB-BVAGGSTKSA-N 1 1 445.582 5.235 50 0 IKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248256725 556677704 /nfs/dbraw/zinc/67/77/04/556677704.db2.gz UZLQUDHJFTYUQQ-OZXSUGGESA-N 1 1 434.555 5.433 50 0 IKAAMO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3)n2)cc1 ZINC000033025306 556699934 /nfs/dbraw/zinc/69/99/34/556699934.db2.gz IKDBZTJJIXFIGI-NRFANRHFSA-N 1 1 443.595 5.190 50 0 IKAAMO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(F)c(F)c1 ZINC000033040116 556731944 /nfs/dbraw/zinc/73/19/44/556731944.db2.gz UHOOHSNFBDDDEP-LLVKDONJSA-N 1 1 431.895 5.434 50 0 IKAAMO COc1ccc([C@@H](NC(=O)N(CC2CC2)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(C)C)cc1 ZINC000604404107 556745513 /nfs/dbraw/zinc/74/55/13/556745513.db2.gz JNOSKHWMPVDLKQ-CAOCKLPOSA-N 1 1 427.633 5.078 50 0 biogenic IKAAMO Brc1cccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000019369679 556747179 /nfs/dbraw/zinc/74/71/79/556747179.db2.gz TWOCOSCSZNJPSZ-UHFFFAOYSA-N 1 1 437.381 5.559 50 0 IKAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(Cc4cccc5ccccc54)CC3)ccc21 ZINC000019369760 556747326 /nfs/dbraw/zinc/74/73/26/556747326.db2.gz KQUKXRKJVWAHOF-UHFFFAOYSA-N 1 1 433.599 6.285 50 0 IKAAMO O=C(C[NH+](CCOc1ccccc1)CCOc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000058160827 556764965 /nfs/dbraw/zinc/76/49/65/556764965.db2.gz QFALSNMWFDPLQZ-UHFFFAOYSA-N 1 1 433.592 5.232 50 0 IKAAMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000058170519 556768027 /nfs/dbraw/zinc/76/80/27/556768027.db2.gz MDOCNGHVYVKMOT-RUZDIDTESA-N 1 1 447.604 5.081 50 0 IKAAMO CC(C)[C@@H](NC(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1ccc(F)cc1 ZINC000058172376 556768459 /nfs/dbraw/zinc/76/84/59/556768459.db2.gz DAOYOJBNQHCLHK-XMMPIXPASA-N 1 1 435.543 5.206 50 0 IKAAMO C[N@H+](CC/C=C1\c2ccccc2CSc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000002049808 556798506 /nfs/dbraw/zinc/79/85/06/556798506.db2.gz VKQKHYFKXBMODB-AUEPDCJTSA-N 1 1 434.004 6.582 50 0 IKAAMO C[N@@H+](CC/C=C1\c2ccccc2CSc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000002049808 556798507 /nfs/dbraw/zinc/79/85/07/556798507.db2.gz VKQKHYFKXBMODB-AUEPDCJTSA-N 1 1 434.004 6.582 50 0 IKAAMO COc1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC000003433994 556815474 /nfs/dbraw/zinc/81/54/74/556815474.db2.gz UFTRKPPPOOISDT-NSHDSACASA-N 1 1 433.282 5.062 50 0 IKAAMO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC000003433994 556815476 /nfs/dbraw/zinc/81/54/76/556815476.db2.gz UFTRKPPPOOISDT-NSHDSACASA-N 1 1 433.282 5.062 50 0 IKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1cccs1 ZINC000033059884 556816491 /nfs/dbraw/zinc/81/64/91/556816491.db2.gz GJGRDZCTUSDLIW-KRWDZBQOSA-N 1 1 438.622 5.179 50 0 IKAAMO O=C(Nc1ccccc1C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019629587 556831954 /nfs/dbraw/zinc/83/19/54/556831954.db2.gz FSSASDHRWOQGFL-UHFFFAOYSA-N 1 1 439.481 5.645 50 0 IKAAMO COc1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)ccc1F ZINC000067856598 556847296 /nfs/dbraw/zinc/84/72/96/556847296.db2.gz LZKPFKZAURABKJ-HSZRJFAPSA-N 1 1 425.592 5.276 50 0 IKAAMO Cc1cccc(-c2cc3[nH]c(C[N@@H+](Cc4ccc(C(C)C)cc4)CC(C)C)cc(=O)n3n2)c1 ZINC000033126323 556866898 /nfs/dbraw/zinc/86/68/98/556866898.db2.gz KIUHWJHKVXYFRP-UHFFFAOYSA-N 1 1 442.607 5.780 50 0 IKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000019732673 556876930 /nfs/dbraw/zinc/87/69/30/556876930.db2.gz LAOABSDSDXASJZ-MHZLTWQESA-N 1 1 435.995 6.628 50 0 IKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000019732673 556876934 /nfs/dbraw/zinc/87/69/34/556876934.db2.gz LAOABSDSDXASJZ-MHZLTWQESA-N 1 1 435.995 6.628 50 0 IKAAMO CC(C)(C)c1cc([C@@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000019773223 556913469 /nfs/dbraw/zinc/91/34/69/556913469.db2.gz UHDCPMAUPDJITQ-SANMLTNESA-N 1 1 431.620 6.562 50 0 IKAAMO O=C(COc1cccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823403 556924856 /nfs/dbraw/zinc/92/48/56/556924856.db2.gz ZNUYQHSNTGKZDE-UHFFFAOYSA-N 1 1 436.555 5.152 50 0 IKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cccc(OC)c1OC ZINC000019841343 556929875 /nfs/dbraw/zinc/92/98/75/556929875.db2.gz VHJPMBFXSFVNMW-UHFFFAOYSA-N 1 1 449.547 5.076 50 0 biogenic IKAAMO COc1ccc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)cc1OCc1ccccc1 ZINC000019854084 556931154 /nfs/dbraw/zinc/93/11/54/556931154.db2.gz JWULSQDGBNWDJN-UHFFFAOYSA-N 1 1 448.632 5.314 50 0 IKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCCC(C)C)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019882824 556937673 /nfs/dbraw/zinc/93/76/73/556937673.db2.gz IJOZVUVRODKCTH-UHFFFAOYSA-N 1 1 441.666 5.662 50 0 IKAAMO CCC[N@H+]1CCc2c(sc3nc(SCCC(C)C)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019882824 556937675 /nfs/dbraw/zinc/93/76/75/556937675.db2.gz IJOZVUVRODKCTH-UHFFFAOYSA-N 1 1 441.666 5.662 50 0 IKAAMO COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)N1NC=NC1=[NH+]2 ZINC000019892158 556939817 /nfs/dbraw/zinc/93/98/17/556939817.db2.gz IOTSMFPFDZENLI-RPWUZVMVSA-N 1 1 442.906 5.153 50 0 IKAAMO Cc1cccc(CSCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000019952457 556954549 /nfs/dbraw/zinc/95/45/49/556954549.db2.gz JVSLUQILMQTIQA-UHFFFAOYSA-N 1 1 430.617 5.217 50 0 IKAAMO C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CC[N@H+](C)C3 ZINC000033265599 556976409 /nfs/dbraw/zinc/97/64/09/556976409.db2.gz HZGQATGEJOWOHY-AWEZNQCLSA-N 1 1 426.973 5.289 50 0 IKAAMO C[C@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CC[N@@H+](C)C3 ZINC000033265599 556976411 /nfs/dbraw/zinc/97/64/11/556976411.db2.gz HZGQATGEJOWOHY-AWEZNQCLSA-N 1 1 426.973 5.289 50 0 IKAAMO CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020102307 556980553 /nfs/dbraw/zinc/98/05/53/556980553.db2.gz SWRSRPPRIQCXJN-UHFFFAOYSA-N 1 1 433.602 5.036 50 0 IKAAMO CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[N@H+](Cc1ccccc1)C3 ZINC000020102307 556980555 /nfs/dbraw/zinc/98/05/55/556980555.db2.gz SWRSRPPRIQCXJN-UHFFFAOYSA-N 1 1 433.602 5.036 50 0 IKAAMO Cc1n[nH]c(C)c1C[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000077375196 556999214 /nfs/dbraw/zinc/99/92/14/556999214.db2.gz COHJSSQFIKFEIQ-UHFFFAOYSA-N 1 1 425.536 5.317 50 0 IKAAMO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000077375196 556999219 /nfs/dbraw/zinc/99/92/19/556999219.db2.gz COHJSSQFIKFEIQ-UHFFFAOYSA-N 1 1 425.536 5.317 50 0 IKAAMO O=C(Nc1csc2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020431955 557016134 /nfs/dbraw/zinc/01/61/34/557016134.db2.gz OEZARXZSQSVSQK-UHFFFAOYSA-N 1 1 427.573 5.840 50 0 IKAAMO O=C(Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432056 557016576 /nfs/dbraw/zinc/01/65/76/557016576.db2.gz RRXPTQSBNHMFOK-UHFFFAOYSA-N 1 1 438.358 5.913 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000043220756 557022668 /nfs/dbraw/zinc/02/26/68/557022668.db2.gz FUSHKWNRXGDDCF-QHCPKHFHSA-N 1 1 447.560 6.069 50 0 IKAAMO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032254 557024643 /nfs/dbraw/zinc/02/46/43/557024643.db2.gz FBVFOTTZJKLHAQ-UHFFFAOYSA-N 1 1 431.005 5.264 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000023153876 557028725 /nfs/dbraw/zinc/02/87/25/557028725.db2.gz ALNWRMZYIOYAGA-UHFFFAOYSA-N 1 1 425.623 5.922 50 0 IKAAMO CC[N@H+]1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000023153876 557028729 /nfs/dbraw/zinc/02/87/29/557028729.db2.gz ALNWRMZYIOYAGA-UHFFFAOYSA-N 1 1 425.623 5.922 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1 ZINC000017288790 557045703 /nfs/dbraw/zinc/04/57/03/557045703.db2.gz MVUHQUIKLOSFAS-UHFFFAOYSA-N 1 1 449.601 5.664 50 0 IKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1 ZINC000017288790 557045705 /nfs/dbraw/zinc/04/57/05/557045705.db2.gz MVUHQUIKLOSFAS-UHFFFAOYSA-N 1 1 449.601 5.664 50 0 IKAAMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000022932348 557050510 /nfs/dbraw/zinc/05/05/10/557050510.db2.gz SUMBPUAQPZQJBA-YLJYHZDGSA-N 1 1 439.909 5.113 50 0 IKAAMO CCN1CCC[C@@H]1C[NH2+][C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000022932348 557050512 /nfs/dbraw/zinc/05/05/12/557050512.db2.gz SUMBPUAQPZQJBA-YLJYHZDGSA-N 1 1 439.909 5.113 50 0 IKAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C1 ZINC000048286724 557053017 /nfs/dbraw/zinc/05/30/17/557053017.db2.gz HEBOOVWOUMFNKF-OAQYLSRUSA-N 1 1 431.580 5.213 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 ZINC000048313814 557067493 /nfs/dbraw/zinc/06/74/93/557067493.db2.gz CURGSKWSCMEMEF-OAQYLSRUSA-N 1 1 431.580 5.355 50 0 IKAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 ZINC000048313817 557067575 /nfs/dbraw/zinc/06/75/75/557067575.db2.gz CURGSKWSCMEMEF-NRFANRHFSA-N 1 1 431.580 5.355 50 0 IKAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(-n3cc[nH+]c3C)c(F)c2)o1 ZINC000048341446 557070908 /nfs/dbraw/zinc/07/09/08/557070908.db2.gz BGMAYIQDSWFVEL-UHFFFAOYSA-N 1 1 441.466 5.326 50 0 IKAAMO O=C(C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Br)cc1F ZINC000048366854 557075334 /nfs/dbraw/zinc/07/53/34/557075334.db2.gz BQFOYMGYDSTFEG-UHFFFAOYSA-N 1 1 432.120 5.112 50 0 IKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4cccc(F)c4)ccc3[nH+]2)cc1 ZINC000033310111 557093343 /nfs/dbraw/zinc/09/33/43/557093343.db2.gz UAPPQZKVRCEJAC-UHFFFAOYSA-N 1 1 441.506 5.438 50 0 IKAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326745 557108722 /nfs/dbraw/zinc/10/87/22/557108722.db2.gz NRVKALRLSKVWPA-UHFFFAOYSA-N 1 1 446.555 5.926 50 0 IKAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)[nH+]c(C)n3)cc2)c1 ZINC000033326745 557108724 /nfs/dbraw/zinc/10/87/24/557108724.db2.gz NRVKALRLSKVWPA-UHFFFAOYSA-N 1 1 446.555 5.926 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000017783150 557122296 /nfs/dbraw/zinc/12/22/96/557122296.db2.gz NHWRQMWDRHZODD-HDICACEKSA-N 1 1 432.955 5.663 50 0 IKAAMO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(C[N@H+](C)Cc3ccc(Cl)s3)cc(=O)c12 ZINC000023994761 557130953 /nfs/dbraw/zinc/13/09/53/557130953.db2.gz GTYDYJQYNGCDDL-UHFFFAOYSA-N 1 1 433.364 5.023 50 0 IKAAMO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(C[N@@H+](C)Cc3ccc(Cl)s3)cc(=O)c12 ZINC000023994761 557130954 /nfs/dbraw/zinc/13/09/54/557130954.db2.gz GTYDYJQYNGCDDL-UHFFFAOYSA-N 1 1 433.364 5.023 50 0 IKAAMO Cc1ccc(OC2=CC[N@@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000095918152 557161766 /nfs/dbraw/zinc/16/17/66/557161766.db2.gz HRBTTZXVGUZBIH-UHFFFAOYSA-N 1 1 433.542 6.854 50 0 IKAAMO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023315680 557214506 /nfs/dbraw/zinc/21/45/06/557214506.db2.gz UGZNPKSIWGMDLV-SFHVURJKSA-N 1 1 439.003 5.637 50 0 IKAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783836 557226446 /nfs/dbraw/zinc/22/64/46/557226446.db2.gz ODGAOMDKZCQZCD-PKTZIBPZSA-N 1 1 447.325 5.798 50 0 IKAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000025783835 557226487 /nfs/dbraw/zinc/22/64/87/557226487.db2.gz ODGAOMDKZCQZCD-XZOQPEGZSA-N 1 1 447.325 5.798 50 0 IKAAMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1ccc(Cl)cc1 ZINC000027062516 557256363 /nfs/dbraw/zinc/25/63/63/557256363.db2.gz ASTJQGWCDYKJKV-SIKLNZKXSA-N 1 1 426.944 5.014 50 0 IKAAMO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009295 557279727 /nfs/dbraw/zinc/27/97/27/557279727.db2.gz GNGAFWNGMQIIFB-UHFFFAOYSA-N 1 1 446.594 5.752 50 0 IKAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014129749 557308206 /nfs/dbraw/zinc/30/82/06/557308206.db2.gz RQWRIEHNSGOXPR-FQEVSTJZSA-N 1 1 437.634 5.454 50 0 IKAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014129749 557308207 /nfs/dbraw/zinc/30/82/07/557308207.db2.gz RQWRIEHNSGOXPR-FQEVSTJZSA-N 1 1 437.634 5.454 50 0 IKAAMO CC[NH+](CC)CCCNC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000023328077 557315314 /nfs/dbraw/zinc/31/53/14/557315314.db2.gz TWCJNWWAMFXRLR-UHFFFAOYSA-N 1 1 444.501 5.224 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023334201 557347977 /nfs/dbraw/zinc/34/79/77/557347977.db2.gz WEQVFKSFZWRZDD-DEOSSOPVSA-N 1 1 438.493 5.561 50 0 IKAAMO C[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 ZINC000110518619 557353197 /nfs/dbraw/zinc/35/31/97/557353197.db2.gz MZIWRSXHNVMYEY-APRZANMYSA-N 1 1 439.650 5.665 50 0 IKAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 ZINC000110518619 557353200 /nfs/dbraw/zinc/35/32/00/557353200.db2.gz MZIWRSXHNVMYEY-APRZANMYSA-N 1 1 439.650 5.665 50 0 IKAAMO CCCN1CCC([NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccc(OCC)c(OC)c2)CC1 ZINC000023907692 557379169 /nfs/dbraw/zinc/37/91/69/557379169.db2.gz DAVPHXFNNZNKLC-HSZRJFAPSA-N 1 1 435.612 5.171 50 0 IKAAMO Cc1ccc(C)c(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000004893673 557401865 /nfs/dbraw/zinc/40/18/65/557401865.db2.gz SJECTAKCDLDRLH-XMMPIXPASA-N 1 1 431.045 5.689 50 0 IKAAMO C[C@@H](NC(=O)C[N@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000103259888 557431053 /nfs/dbraw/zinc/43/10/53/557431053.db2.gz CULGIHAOBXRZFM-RTBURBONSA-N 1 1 449.982 5.463 50 0 IKAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000103259888 557431054 /nfs/dbraw/zinc/43/10/54/557431054.db2.gz CULGIHAOBXRZFM-RTBURBONSA-N 1 1 449.982 5.463 50 0 IKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1cccc(OC)c1 ZINC000103550296 557438565 /nfs/dbraw/zinc/43/85/65/557438565.db2.gz QFILAZDOFCAJFI-IBHPWDLASA-N 1 1 443.631 6.897 50 0 IKAAMO Cc1cc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)oc1C ZINC000105050489 557474316 /nfs/dbraw/zinc/47/43/16/557474316.db2.gz CPBCGTTWUREHCM-RCZVLFRGSA-N 1 1 428.592 5.392 50 0 IKAAMO C[C@@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@]1(C)[NH+]1CCCC1)OCO3 ZINC000106341929 557528229 /nfs/dbraw/zinc/52/82/29/557528229.db2.gz USEVJXUDAHBZHA-GBSMKCJWSA-N 1 1 430.342 5.150 50 0 IKAAMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCc1ccccc1NC(=O)OC(C)(C)C ZINC000225730769 557770002 /nfs/dbraw/zinc/77/00/02/557770002.db2.gz IOUJGBREMNGEFX-UHFFFAOYSA-N 1 1 439.600 5.123 50 0 IKAAMO C[N@H+](CCO)CC(=O)Nc1ccccc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000225780766 557777216 /nfs/dbraw/zinc/77/72/16/557777216.db2.gz WPQONNWMLJFGJN-UHFFFAOYSA-N 1 1 445.950 5.085 50 0 IKAAMO C[N@@H+](CCO)CC(=O)Nc1ccccc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000225780766 557777219 /nfs/dbraw/zinc/77/72/19/557777219.db2.gz WPQONNWMLJFGJN-UHFFFAOYSA-N 1 1 445.950 5.085 50 0 IKAAMO Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843632 557811322 /nfs/dbraw/zinc/81/13/22/557811322.db2.gz AJWLGUNRLUABCH-XZOQPEGZSA-N 1 1 430.870 5.283 50 0 IKAAMO O=C(Nc1cccc(CNC[C@@H](c2cccs2)[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000024981479 557822248 /nfs/dbraw/zinc/82/22/48/557822248.db2.gz RFLKNHGOPZVHLK-QFIPXVFZSA-N 1 1 440.012 5.581 50 0 IKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(C)cc2C)C3)c1OC ZINC000014991898 557837267 /nfs/dbraw/zinc/83/72/67/557837267.db2.gz HWAORQLZUTWDFP-UHFFFAOYSA-N 1 1 433.548 5.391 50 0 IKAAMO COc1ccc(NC(=O)[C@@H]2CC[C@H](c3ccccc3)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669827 557848099 /nfs/dbraw/zinc/84/80/99/557848099.db2.gz PYMSULKAMRDHTH-ATIYNZHBSA-N 1 1 430.548 5.296 50 0 IKAAMO CCc1ccc(Sc2cc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c3ccccc3n2)cc1 ZINC000002941376 562930973 /nfs/dbraw/zinc/93/09/73/562930973.db2.gz RLOSYNULPLNJGI-HXUWFJFHSA-N 1 1 447.648 5.800 50 0 IKAAMO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000003205707 562932708 /nfs/dbraw/zinc/93/27/08/562932708.db2.gz XIRMZNKBAGVWMK-XMMPIXPASA-N 1 1 442.386 5.519 50 0 IKAAMO CCOc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000008619119 562959837 /nfs/dbraw/zinc/95/98/37/562959837.db2.gz SSJKNHHNQHOGKG-KRWDZBQOSA-N 1 1 438.597 5.198 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000015880074 563018219 /nfs/dbraw/zinc/01/82/19/563018219.db2.gz UGTIEFUTIKZRTB-DABWLCNRSA-N 1 1 449.620 5.156 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113392 563021332 /nfs/dbraw/zinc/02/13/32/563021332.db2.gz KYTBNQFAQDMKHH-UHFFFAOYSA-N 1 1 447.629 5.973 50 0 IKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000969896 568647360 /nfs/dbraw/zinc/64/73/60/568647360.db2.gz UGBBWRMDBUNWAC-BJKOFHAPSA-N 1 1 444.897 5.592 50 0 IKAAMO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1ccc(Cl)cc1 ZINC000001001085 568650065 /nfs/dbraw/zinc/65/00/65/568650065.db2.gz ASTJQGWCDYKJKV-DENIHFKCSA-N 1 1 426.944 5.014 50 0 IKAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1F ZINC000084291026 568796866 /nfs/dbraw/zinc/79/68/66/568796866.db2.gz ULHLLHXUORELBY-UHFFFAOYSA-N 1 1 448.112 5.258 50 0 IKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)C1 ZINC000015732234 568815019 /nfs/dbraw/zinc/81/50/19/568815019.db2.gz WEDMEFRCVRYXNG-FQEVSTJZSA-N 1 1 425.642 5.257 50 0 IKAAMO COc1ccc(CN2C[C@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034723294 568824312 /nfs/dbraw/zinc/82/43/12/568824312.db2.gz YYCBLFJRKNEGLY-URXFXBBRSA-N 1 1 432.530 5.416 50 0 IKAAMO Cc1ccc(F)c(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@@H](CN(CC(C)C)C(=O)C(C)C)C2)c1 ZINC000034740460 568824541 /nfs/dbraw/zinc/82/45/41/568824541.db2.gz BFMPFGNAXIQXGE-NOZRDPDXSA-N 1 1 442.594 5.629 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649572 568831044 /nfs/dbraw/zinc/83/10/44/568831044.db2.gz REVXFUVDDXRASR-IBGZPJMESA-N 1 1 447.558 5.021 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3ccc(F)cc3)n2)cc1 ZINC000085649570 568831077 /nfs/dbraw/zinc/83/10/77/568831077.db2.gz REVXFUVDDXRASR-LJQANCHMSA-N 1 1 447.558 5.021 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649814 568831258 /nfs/dbraw/zinc/83/12/58/568831258.db2.gz FWUFKMHHZSQPSQ-LJQANCHMSA-N 1 1 447.558 5.021 50 0 IKAAMO C[N@@H+](CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1)Cc1ccccc1 ZINC000085651186 568831896 /nfs/dbraw/zinc/83/18/96/568831896.db2.gz MXHLYWNNUQSNFY-UHFFFAOYSA-N 1 1 448.954 5.477 50 0 IKAAMO CCC[NH+]1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000015826522 568840774 /nfs/dbraw/zinc/84/07/74/568840774.db2.gz CTWCWJALASDODG-UHFFFAOYSA-N 1 1 436.559 5.132 50 0 IKAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3cc(C)ccc3[nH]2)cc1OC ZINC000015862342 568848598 /nfs/dbraw/zinc/84/85/98/568848598.db2.gz DRJMOJRTEAKFKU-UHFFFAOYSA-N 1 1 428.532 5.056 50 0 IKAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1OC ZINC000015862344 568848723 /nfs/dbraw/zinc/84/87/23/568848723.db2.gz YKYCIPMPHLHZPS-UHFFFAOYSA-N 1 1 442.559 5.365 50 0 IKAAMO Clc1ccc(-c2nnc([C@@H](c3ccccc3)[N@H+]3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000015864520 568850115 /nfs/dbraw/zinc/85/01/15/568850115.db2.gz FYQYBNZAOBSWBP-XMMPIXPASA-N 1 1 427.935 6.269 50 0 IKAAMO Clc1ccc(-c2nnc([C@@H](c3ccccc3)[N@@H+]3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000015864520 568850116 /nfs/dbraw/zinc/85/01/16/568850116.db2.gz FYQYBNZAOBSWBP-XMMPIXPASA-N 1 1 427.935 6.269 50 0 IKAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012936022 568864934 /nfs/dbraw/zinc/86/49/34/568864934.db2.gz SROFTRMKPSYNKQ-UHFFFAOYSA-N 1 1 445.588 5.298 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)[nH+]2)c2ccccc2)c1C ZINC000001890792 568917569 /nfs/dbraw/zinc/91/75/69/568917569.db2.gz VJQQROZUWQCSCJ-XMMPIXPASA-N 1 1 427.573 6.522 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c1C ZINC000001890796 568917578 /nfs/dbraw/zinc/91/75/78/568917578.db2.gz PRYZQWNJXGNBNK-DEOSSOPVSA-N 1 1 427.573 6.522 50 0 IKAAMO Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)C[N@@H+](Cc3ccccc3)C4)o2)cc1 ZINC000064658741 568942234 /nfs/dbraw/zinc/94/22/34/568942234.db2.gz FPHQEVDOBOFMKY-UHFFFAOYSA-N 1 1 438.527 5.935 50 0 IKAAMO Cc1ccc(OCc2ccc(C(=O)Nc3ccc4c(c3)C[N@H+](Cc3ccccc3)C4)o2)cc1 ZINC000064658741 568942236 /nfs/dbraw/zinc/94/22/36/568942236.db2.gz FPHQEVDOBOFMKY-UHFFFAOYSA-N 1 1 438.527 5.935 50 0 IKAAMO C[N@@H+](CCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21)Cc1ccccc1 ZINC000064657772 568942367 /nfs/dbraw/zinc/94/23/67/568942367.db2.gz NRLBTNXOHFYHMP-UHFFFAOYSA-N 1 1 437.996 5.271 50 0 IKAAMO Cc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCC(C)C)co2)c1 ZINC000036064010 568944939 /nfs/dbraw/zinc/94/49/39/568944939.db2.gz PRRIEILHLGUFKI-UHFFFAOYSA-N 1 1 444.579 5.095 50 0 IKAAMO Cc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCC(C)C)co2)c1 ZINC000036064010 568944940 /nfs/dbraw/zinc/94/49/40/568944940.db2.gz PRRIEILHLGUFKI-UHFFFAOYSA-N 1 1 444.579 5.095 50 0 IKAAMO Cc1ccccc1[C@@H]1[NH2+][C@H](c2ccccc2C)[C@H](c2ccccc2)C(=O)[C@@H]1c1ccccc1 ZINC000036067300 568945089 /nfs/dbraw/zinc/94/50/89/568945089.db2.gz GLGDFPUNSJTPGO-LPOKLPNDSA-N 1 1 431.579 6.826 50 0 IKAAMO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065559 568945300 /nfs/dbraw/zinc/94/53/00/568945300.db2.gz CGTIRHAJSDGANL-FQEVSTJZSA-N 1 1 437.559 5.407 50 0 IKAAMO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065559 568945301 /nfs/dbraw/zinc/94/53/01/568945301.db2.gz CGTIRHAJSDGANL-FQEVSTJZSA-N 1 1 437.559 5.407 50 0 IKAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000036065585 568945306 /nfs/dbraw/zinc/94/53/06/568945306.db2.gz VBAFMKZWDHNJIH-VQTJNVASSA-N 1 1 435.568 5.221 50 0 IKAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000036065585 568945307 /nfs/dbraw/zinc/94/53/07/568945307.db2.gz VBAFMKZWDHNJIH-VQTJNVASSA-N 1 1 435.568 5.221 50 0 IKAAMO Cc1ccc(C)c(C[N@@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c1 ZINC000036065560 568945315 /nfs/dbraw/zinc/94/53/15/568945315.db2.gz CGTIRHAJSDGANL-HXUWFJFHSA-N 1 1 437.559 5.407 50 0 IKAAMO Cc1ccc(C)c(C[N@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c1 ZINC000036065560 568945316 /nfs/dbraw/zinc/94/53/16/568945316.db2.gz CGTIRHAJSDGANL-HXUWFJFHSA-N 1 1 437.559 5.407 50 0 IKAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(C(C)C)cc4)c3NC3CCCC3)s2)CC1 ZINC000064746058 568949473 /nfs/dbraw/zinc/94/94/73/568949473.db2.gz GXLOKKPMKUYALB-UHFFFAOYSA-N 1 1 438.645 5.078 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801509 568961462 /nfs/dbraw/zinc/96/14/62/568961462.db2.gz HXZZQBUFBNJWRW-UHFFFAOYSA-N 1 1 434.519 5.610 50 0 IKAAMO O[C@@H](C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000036146313 568962262 /nfs/dbraw/zinc/96/22/62/568962262.db2.gz RXGRISKPTXXVQF-ZCYQVOJMSA-N 1 1 438.930 5.208 50 0 IKAAMO CC(C)[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1cccs1 ZINC000036154648 568964765 /nfs/dbraw/zinc/96/47/65/568964765.db2.gz KWENEUZBHXPZHY-UHFFFAOYSA-N 1 1 429.632 6.159 50 0 IKAAMO COCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(F)cc1 ZINC000036167700 568968594 /nfs/dbraw/zinc/96/85/94/568968594.db2.gz AZHNOMPVFRTWRG-UHFFFAOYSA-N 1 1 445.534 5.352 50 0 IKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(F)cc1 ZINC000036167700 568968596 /nfs/dbraw/zinc/96/85/96/568968596.db2.gz AZHNOMPVFRTWRG-UHFFFAOYSA-N 1 1 445.534 5.352 50 0 IKAAMO CCC[N@H+](Cc1ccsc1)Cc1ccc(C(O)(c2cccs2)c2cccs2)o1 ZINC000036202938 568972422 /nfs/dbraw/zinc/97/24/22/568972422.db2.gz AAULKARXUILTTL-UHFFFAOYSA-N 1 1 429.632 6.161 50 0 IKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000169679926 568990531 /nfs/dbraw/zinc/99/05/31/568990531.db2.gz QHFBKWCRDQTFGI-JTHBVZDNSA-N 1 1 430.633 5.552 50 0 IKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccccc2)C(C)C)[C@@H](c2ccccc2C)C1 ZINC000169679262 568990857 /nfs/dbraw/zinc/99/08/57/568990857.db2.gz FGWTXUFTMJQVOO-AHWVRZQESA-N 1 1 446.660 6.131 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccccc3C)C2)o1 ZINC000169679540 568991038 /nfs/dbraw/zinc/99/10/38/568991038.db2.gz ZCEGTUVNOFCGKF-IGKIAQTJSA-N 1 1 430.592 5.663 50 0 IKAAMO COc1ccc(CN2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000169679899 568991294 /nfs/dbraw/zinc/99/12/94/568991294.db2.gz YYCBLFJRKNEGLY-ZJSXRUAMSA-N 1 1 432.530 5.416 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@@H](O)CC)CC1CC1 ZINC000036302638 568993536 /nfs/dbraw/zinc/99/35/36/568993536.db2.gz GWGZVHOSJLTFMG-QFIPXVFZSA-N 1 1 449.595 5.219 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301733 568994112 /nfs/dbraw/zinc/99/41/12/568994112.db2.gz RGFSPVYDWPWDEH-QFIPXVFZSA-N 1 1 442.003 5.855 50 0 IKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036301834 568994147 /nfs/dbraw/zinc/99/41/47/568994147.db2.gz HOYMASIGWFVPRU-KRWDZBQOSA-N 1 1 425.960 5.219 50 0 IKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036304440 568994519 /nfs/dbraw/zinc/99/45/19/568994519.db2.gz GUMRCQKYMOIWOK-QFIPXVFZSA-N 1 1 437.584 5.353 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036304442 568994533 /nfs/dbraw/zinc/99/45/33/568994533.db2.gz GUMRCQKYMOIWOK-JOCHJYFZSA-N 1 1 437.584 5.353 50 0 IKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@H](O)C(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304612 568994618 /nfs/dbraw/zinc/99/46/18/568994618.db2.gz ILQMEEHHFZBJFA-SANMLTNESA-N 1 1 449.595 5.211 50 0 IKAAMO C[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305231 568995030 /nfs/dbraw/zinc/99/50/30/568995030.db2.gz YXWFEPOFDRIDNC-KRWDZBQOSA-N 1 1 425.960 5.126 50 0 IKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305882 568995383 /nfs/dbraw/zinc/99/53/83/568995383.db2.gz PXRMKMGNVAJUJW-NRFANRHFSA-N 1 1 437.584 5.261 50 0 IKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313761 568998660 /nfs/dbraw/zinc/99/86/60/568998660.db2.gz YIRIDVQUPQTVFP-VWLOTQADSA-N 1 1 447.623 6.045 50 0 IKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313724 568998693 /nfs/dbraw/zinc/99/86/93/568998693.db2.gz HGHSNCLWEMCHAT-HSZRJFAPSA-N 1 1 449.595 5.497 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)CC)CC1CC1 ZINC000036316486 568999830 /nfs/dbraw/zinc/99/98/30/568999830.db2.gz PPWAQGBWRKFYPA-OAQYLSRUSA-N 1 1 437.559 5.349 50 0 IKAAMO Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036340907 569078786 /nfs/dbraw/zinc/07/87/86/569078786.db2.gz CVKMSWOKOSTYOS-RUZDIDTESA-N 1 1 431.967 5.458 50 0 IKAAMO Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036340907 569078787 /nfs/dbraw/zinc/07/87/87/569078787.db2.gz CVKMSWOKOSTYOS-RUZDIDTESA-N 1 1 431.967 5.458 50 0 IKAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036341021 569079152 /nfs/dbraw/zinc/07/91/52/569079152.db2.gz JTQQXFWNVWBIPC-RUZDIDTESA-N 1 1 447.966 5.158 50 0 IKAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036341021 569079153 /nfs/dbraw/zinc/07/91/53/569079153.db2.gz JTQQXFWNVWBIPC-RUZDIDTESA-N 1 1 447.966 5.158 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000036342147 569079619 /nfs/dbraw/zinc/07/96/19/569079619.db2.gz BUWXARCNYRRJMM-NRFANRHFSA-N 1 1 427.548 5.356 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000036342147 569079620 /nfs/dbraw/zinc/07/96/20/569079620.db2.gz BUWXARCNYRRJMM-NRFANRHFSA-N 1 1 427.548 5.356 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343897 569079853 /nfs/dbraw/zinc/07/98/53/569079853.db2.gz NJTJXVQCMNXOEG-AREMUKBSSA-N 1 1 445.994 5.767 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343897 569079855 /nfs/dbraw/zinc/07/98/55/569079855.db2.gz NJTJXVQCMNXOEG-AREMUKBSSA-N 1 1 445.994 5.767 50 0 IKAAMO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036343575 569079862 /nfs/dbraw/zinc/07/98/62/569079862.db2.gz ZNGZXJROEDJAJH-MHZLTWQESA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036343575 569079864 /nfs/dbraw/zinc/07/98/64/569079864.db2.gz ZNGZXJROEDJAJH-MHZLTWQESA-N 1 1 425.576 5.422 50 0 IKAAMO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036343971 569079932 /nfs/dbraw/zinc/07/99/32/569079932.db2.gz KOMADRYMTJOJSW-SANMLTNESA-N 1 1 445.538 5.034 50 0 IKAAMO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036343971 569079933 /nfs/dbraw/zinc/07/99/33/569079933.db2.gz KOMADRYMTJOJSW-SANMLTNESA-N 1 1 445.538 5.034 50 0 IKAAMO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036343978 569080067 /nfs/dbraw/zinc/08/00/67/569080067.db2.gz OMDFQWQMQLRULD-RUZDIDTESA-N 1 1 437.559 5.167 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344611 569080177 /nfs/dbraw/zinc/08/01/77/569080177.db2.gz KGQLTUOXPFBIFE-HHHXNRCGSA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344611 569080178 /nfs/dbraw/zinc/08/01/78/569080178.db2.gz KGQLTUOXPFBIFE-HHHXNRCGSA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344610 569080321 /nfs/dbraw/zinc/08/03/21/569080321.db2.gz KGQLTUOXPFBIFE-MHZLTWQESA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3cc(C)ccc3C)C2)cc1 ZINC000036344610 569080322 /nfs/dbraw/zinc/08/03/22/569080322.db2.gz KGQLTUOXPFBIFE-MHZLTWQESA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345054 569080424 /nfs/dbraw/zinc/08/04/24/569080424.db2.gz UJOAUVZMXNBFAI-RUZDIDTESA-N 1 1 431.967 5.458 50 0 IKAAMO Cc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345054 569080425 /nfs/dbraw/zinc/08/04/25/569080425.db2.gz UJOAUVZMXNBFAI-RUZDIDTESA-N 1 1 431.967 5.458 50 0 IKAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036345146 569080683 /nfs/dbraw/zinc/08/06/83/569080683.db2.gz DBSJKQMMDKVMNI-HHHXNRCGSA-N 1 1 441.575 5.122 50 0 IKAAMO COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036345146 569080684 /nfs/dbraw/zinc/08/06/84/569080684.db2.gz DBSJKQMMDKVMNI-HHHXNRCGSA-N 1 1 441.575 5.122 50 0 IKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345876 569080797 /nfs/dbraw/zinc/08/07/97/569080797.db2.gz DHWZOXLYFRLZFF-XMMPIXPASA-N 1 1 433.596 5.797 50 0 IKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036345903 569080875 /nfs/dbraw/zinc/08/08/75/569080875.db2.gz GBITZRMOUBKLEX-DEOSSOPVSA-N 1 1 435.612 6.045 50 0 IKAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345772 569080943 /nfs/dbraw/zinc/08/09/43/569080943.db2.gz QCBFJZWRPBJDRL-HHHXNRCGSA-N 1 1 441.575 5.122 50 0 IKAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345772 569080945 /nfs/dbraw/zinc/08/09/45/569080945.db2.gz QCBFJZWRPBJDRL-HHHXNRCGSA-N 1 1 441.575 5.122 50 0 IKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346291 569081248 /nfs/dbraw/zinc/08/12/48/569081248.db2.gz QRXNRDNESRKLRX-QFIPXVFZSA-N 1 1 425.548 5.484 50 0 IKAAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1OC ZINC000036347360 569081341 /nfs/dbraw/zinc/08/13/41/569081341.db2.gz CIIPEQWOIORCMA-QFIPXVFZSA-N 1 1 430.470 5.519 50 0 IKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1OC ZINC000036347360 569081342 /nfs/dbraw/zinc/08/13/42/569081342.db2.gz CIIPEQWOIORCMA-QFIPXVFZSA-N 1 1 430.470 5.519 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)CC)CC1CC1 ZINC000036346538 569081395 /nfs/dbraw/zinc/08/13/95/569081395.db2.gz GCMMMCAJGHFVJT-HSZRJFAPSA-N 1 1 433.596 5.518 50 0 IKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036347354 569081474 /nfs/dbraw/zinc/08/14/74/569081474.db2.gz GMAYWGULOJCYMC-NRFANRHFSA-N 1 1 438.415 6.521 50 0 IKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036347354 569081476 /nfs/dbraw/zinc/08/14/76/569081476.db2.gz GMAYWGULOJCYMC-NRFANRHFSA-N 1 1 438.415 6.521 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2nc(-c3oc4ccccc4c3C)no2)o1 ZINC000065009959 569088151 /nfs/dbraw/zinc/08/81/51/569088151.db2.gz JEBZEFNTPUTCRQ-KRWDZBQOSA-N 1 1 448.523 5.079 50 0 IKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)NC4CCCCC4)ccc3[nH+]2)cc1 ZINC000065114721 569106622 /nfs/dbraw/zinc/10/66/22/569106622.db2.gz KOMQAZNJKLBCRR-UHFFFAOYSA-N 1 1 444.579 5.501 50 0 IKAAMO CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(-n2cc[nH+]c2C)c(Cl)c1 ZINC000036616336 569122783 /nfs/dbraw/zinc/12/27/83/569122783.db2.gz KFQWKZHSHMIGHG-UHFFFAOYSA-N 1 1 434.931 5.119 50 0 IKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)C1CCCCC1 ZINC000037143099 569140412 /nfs/dbraw/zinc/14/04/12/569140412.db2.gz KSLJKZMJRSEJEW-UHFFFAOYSA-N 1 1 426.429 5.328 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000170620929 569147853 /nfs/dbraw/zinc/14/78/53/569147853.db2.gz FMZHLCDGPJECMI-XFAGBWLFSA-N 1 1 434.605 5.816 50 0 IKAAMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000013322801 569155048 /nfs/dbraw/zinc/15/50/48/569155048.db2.gz ZCDHQKUJRCNXPA-UHFFFAOYSA-N 1 1 430.390 5.096 50 0 IKAAMO O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013953821 569157462 /nfs/dbraw/zinc/15/74/62/569157462.db2.gz HXKOKOACIYEEFO-UHFFFAOYSA-N 1 1 441.962 5.513 50 0 IKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000251180149 569158257 /nfs/dbraw/zinc/15/82/57/569158257.db2.gz RIWWJAOMOXKEGC-LKUPVBHCSA-N 1 1 429.992 5.210 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662047 569160807 /nfs/dbraw/zinc/16/08/07/569160807.db2.gz QAMLRPXMMZCXPN-RTBURBONSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662047 569160809 /nfs/dbraw/zinc/16/08/09/569160809.db2.gz QAMLRPXMMZCXPN-RTBURBONSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662107 569160920 /nfs/dbraw/zinc/16/09/20/569160920.db2.gz GRHRAEJAGOWHKT-WOJBJXKFSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662107 569160921 /nfs/dbraw/zinc/16/09/21/569160921.db2.gz GRHRAEJAGOWHKT-WOJBJXKFSA-N 1 1 445.991 5.749 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016837165 569162571 /nfs/dbraw/zinc/16/25/71/569162571.db2.gz SOXBEMIGEKDADY-UHFFFAOYSA-N 1 1 433.602 5.964 50 0 IKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016837165 569162572 /nfs/dbraw/zinc/16/25/72/569162572.db2.gz SOXBEMIGEKDADY-UHFFFAOYSA-N 1 1 433.602 5.964 50 0 IKAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)cc1 ZINC000017042579 569171614 /nfs/dbraw/zinc/17/16/14/569171614.db2.gz IKXYLFZGNHYBRX-UHFFFAOYSA-N 1 1 443.595 5.097 50 0 IKAAMO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5CCCC[C@H]5C)cc4sc3n2)cc1 ZINC000009406356 569182958 /nfs/dbraw/zinc/18/29/58/569182958.db2.gz GEMWCHOJUHMABM-LJQANCHMSA-N 1 1 446.620 5.519 50 0 IKAAMO C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000252486076 569186739 /nfs/dbraw/zinc/18/67/39/569186739.db2.gz DPHYODNXHRBPLX-ZWOKBUDYSA-N 1 1 444.501 5.317 50 0 IKAAMO COc1cc(OC)c([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)cc1OC ZINC000037523581 569198598 /nfs/dbraw/zinc/19/85/98/569198598.db2.gz RDNMVJVSMCJOPC-MHZLTWQESA-N 1 1 434.580 5.633 50 0 IKAAMO COc1cc(OC)c([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)cc1OC ZINC000037523581 569198599 /nfs/dbraw/zinc/19/85/99/569198599.db2.gz RDNMVJVSMCJOPC-MHZLTWQESA-N 1 1 434.580 5.633 50 0 IKAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)n2Cc2ccccc2F)s1 ZINC000037526108 569199120 /nfs/dbraw/zinc/19/91/20/569199120.db2.gz RQIKQEHDGNASSQ-UHFFFAOYSA-N 1 1 447.579 5.157 50 0 IKAAMO Cc1ccccc1Cn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2sccc21 ZINC000037526384 569199171 /nfs/dbraw/zinc/19/91/71/569199171.db2.gz CPGYVZLEDVZEJD-UHFFFAOYSA-N 1 1 429.589 5.018 50 0 IKAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)n2Cc2ccc(F)cc2)s1 ZINC000037541327 569199341 /nfs/dbraw/zinc/19/93/41/569199341.db2.gz VJHMYDZWYMQIEN-UHFFFAOYSA-N 1 1 447.579 5.157 50 0 IKAAMO Cc1cccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000037580753 569201978 /nfs/dbraw/zinc/20/19/78/569201978.db2.gz NSIDKEIGMDSZQQ-UHFFFAOYSA-N 1 1 438.493 5.724 50 0 IKAAMO Cc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587697 569201987 /nfs/dbraw/zinc/20/19/87/569201987.db2.gz AVSVDONVRVHEGJ-UHFFFAOYSA-N 1 1 438.493 5.724 50 0 IKAAMO CCc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587683 569202049 /nfs/dbraw/zinc/20/20/49/569202049.db2.gz IGOWBJWJBZLBIS-UHFFFAOYSA-N 1 1 434.530 5.839 50 0 IKAAMO O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037580710 569202062 /nfs/dbraw/zinc/20/20/62/569202062.db2.gz BDYBZMIGJJOKHH-UHFFFAOYSA-N 1 1 442.456 5.554 50 0 IKAAMO C[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@H](C)CC[C@@H]4[C@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000252640381 569208698 /nfs/dbraw/zinc/20/86/98/569208698.db2.gz YSOKTNCRCPDOCA-YPRWMXTGSA-N 1 1 427.673 5.162 50 0 IKAAMO CC[NH+](CC)c1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002246418 569214394 /nfs/dbraw/zinc/21/43/94/569214394.db2.gz QZOVPEVZBVVZNN-UHFFFAOYSA-N 1 1 445.567 5.205 50 0 IKAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000253375748 569264093 /nfs/dbraw/zinc/26/40/93/569264093.db2.gz QUZJKKHHGAZCKG-UKILVPOCSA-N 1 1 449.595 5.033 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000253375748 569264094 /nfs/dbraw/zinc/26/40/94/569264094.db2.gz QUZJKKHHGAZCKG-UKILVPOCSA-N 1 1 449.595 5.033 50 0 IKAAMO C[N@H+]1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000008888311 569292106 /nfs/dbraw/zinc/29/21/06/569292106.db2.gz GYOAHBGWMYFOGR-QZTJIDSGSA-N 1 1 434.750 6.435 50 0 IKAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000013057980 569308388 /nfs/dbraw/zinc/30/83/88/569308388.db2.gz SFQXBSKKJIJKTA-KRWDZBQOSA-N 1 1 427.375 5.720 50 0 IKAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000013057980 569308390 /nfs/dbraw/zinc/30/83/90/569308390.db2.gz SFQXBSKKJIJKTA-KRWDZBQOSA-N 1 1 427.375 5.720 50 0 IKAAMO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013057104 569308403 /nfs/dbraw/zinc/30/84/03/569308403.db2.gz RQIZSHRBFCRCBE-GASCZTMLSA-N 1 1 434.989 5.162 50 0 IKAAMO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000013057104 569308404 /nfs/dbraw/zinc/30/84/04/569308404.db2.gz RQIZSHRBFCRCBE-GASCZTMLSA-N 1 1 434.989 5.162 50 0 IKAAMO CC(C)c1ccc(-c2nc3sc(N4CC[NH+](C)CC4)nn3c2NC2CCCCC2)cc1 ZINC000013347111 569313088 /nfs/dbraw/zinc/31/30/88/569313088.db2.gz FXVUXSFPWSZRJJ-UHFFFAOYSA-N 1 1 438.645 5.078 50 0 IKAAMO C[N@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000013397890 569315443 /nfs/dbraw/zinc/31/54/43/569315443.db2.gz GYOAHBGWMYFOGR-ROUUACIJSA-N 1 1 434.750 6.435 50 0 IKAAMO C[C@@H]1CN(CC2(C[N@H+]3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596145 569317812 /nfs/dbraw/zinc/31/78/12/569317812.db2.gz VBNMDIBAJVSUIU-PVTAMDAMSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1CN(CC2(C[N@@H+]3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596145 569317813 /nfs/dbraw/zinc/31/78/13/569317813.db2.gz VBNMDIBAJVSUIU-PVTAMDAMSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1C[N@@H+](CC2(CN3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596145 569317814 /nfs/dbraw/zinc/31/78/14/569317814.db2.gz VBNMDIBAJVSUIU-PVTAMDAMSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1C[N@H+](CC2(CN3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596145 569317815 /nfs/dbraw/zinc/31/78/15/569317815.db2.gz VBNMDIBAJVSUIU-PVTAMDAMSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1CN(CC2(C[N@@H+]3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596147 569317903 /nfs/dbraw/zinc/31/79/03/569317903.db2.gz VBNMDIBAJVSUIU-ZIIYYELXSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1CN(CC2(C[N@H+]3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596147 569317905 /nfs/dbraw/zinc/31/79/05/569317905.db2.gz VBNMDIBAJVSUIU-ZIIYYELXSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1C[N@@H+](CC2(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596147 569317906 /nfs/dbraw/zinc/31/79/06/569317906.db2.gz VBNMDIBAJVSUIU-ZIIYYELXSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1C[N@H+](CC2(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596147 569317908 /nfs/dbraw/zinc/31/79/08/569317908.db2.gz VBNMDIBAJVSUIU-ZIIYYELXSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000078969110 569320857 /nfs/dbraw/zinc/32/08/57/569320857.db2.gz LOVRTXUDUVRQHC-INIZCTEOSA-N 1 1 449.505 5.269 50 0 IKAAMO CCO[C@H]1C[C@H]([NH2+]Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C12CCCCC2 ZINC000078989968 569321496 /nfs/dbraw/zinc/32/14/96/569321496.db2.gz IWTVFJOUHWPWNG-SFTDATJTSA-N 1 1 448.032 5.699 50 0 IKAAMO Cc1[nH]c2ccccc2c1[C@H](c1ccc2c(c1)OCO2)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019864040 569330735 /nfs/dbraw/zinc/33/07/35/569330735.db2.gz ZQDQTBRVRBLLEB-NDEPHWFRSA-N 1 1 439.559 5.112 50 0 IKAAMO CCC1=Nc2cc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)ccc2Sc2ccc(C)cc21 ZINC000020178959 569354711 /nfs/dbraw/zinc/35/47/11/569354711.db2.gz JESOBZRGCBLALC-BGYRXZFFSA-N 1 1 449.664 6.373 50 0 IKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020241035 569357906 /nfs/dbraw/zinc/35/79/06/569357906.db2.gz RKGGBSVKGXHFPX-ILBGXUMGSA-N 1 1 443.591 5.364 50 0 IKAAMO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCC[N@H+](C)C4CCCCC4)cc3NC2=O)c1 ZINC000020355297 569361291 /nfs/dbraw/zinc/36/12/91/569361291.db2.gz GZERWNCUUUMUOU-LFVJCYFKSA-N 1 1 449.620 5.075 50 0 IKAAMO Cc1ccccc1Cn1c2ccccc2c(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C(=O)[O-] ZINC000020379357 569362550 /nfs/dbraw/zinc/36/25/50/569362550.db2.gz LWDUZZAKICUPMH-OYRHEFFESA-N 1 1 447.623 5.154 50 0 IKAAMO C[C@@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020386526 569363151 /nfs/dbraw/zinc/36/31/51/569363151.db2.gz USEVJXUDAHBZHA-YKAGIRRDSA-N 1 1 430.342 5.150 50 0 IKAAMO CC[C@H](C)[C@@H]([NH3+])C(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1Cl)c2=O ZINC000020411940 569364190 /nfs/dbraw/zinc/36/41/90/569364190.db2.gz FRDOVDLKLQQWCJ-JEOXALJRSA-N 1 1 436.291 5.171 50 0 biogenic IKAAMO Cc1ncc(C[N@@H+](C)Cc2ccccc2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095473566 569372442 /nfs/dbraw/zinc/37/24/42/569372442.db2.gz LFTWUAZKQACJPJ-UHFFFAOYSA-N 1 1 449.348 5.762 50 0 IKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4cccc(F)c4)CC3)nc2)cc1 ZINC000096280563 569389693 /nfs/dbraw/zinc/38/96/93/569389693.db2.gz KHIWYACJJRDKPV-UHFFFAOYSA-N 1 1 446.570 5.093 50 0 IKAAMO Cc1ccc(Nc2nc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)cc3occc32)cc1Cl ZINC000096323721 569395361 /nfs/dbraw/zinc/39/53/61/569395361.db2.gz QSQSWGGVIWCMBP-INIZCTEOSA-N 1 1 440.975 5.385 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)[NH+]3CCCC3)no2)cc1 ZINC000334162266 569402182 /nfs/dbraw/zinc/40/21/82/569402182.db2.gz LNPZPSBHIQEDMY-NRFANRHFSA-N 1 1 443.469 5.236 50 0 IKAAMO O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689045 569407134 /nfs/dbraw/zinc/40/71/34/569407134.db2.gz HGKZICXGLZZBNL-UHFFFAOYSA-N 1 1 437.008 5.731 50 0 IKAAMO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 ZINC000002714796 569417945 /nfs/dbraw/zinc/41/79/45/569417945.db2.gz OOYFYQMWQFXQDH-NQIIRXRSSA-N 1 1 428.555 6.853 50 0 IKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)c1 ZINC000002915244 569425116 /nfs/dbraw/zinc/42/51/16/569425116.db2.gz OCLBQSJMTUEIDD-BJKOFHAPSA-N 1 1 442.906 5.153 50 0 IKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)c1 ZINC000002915242 569425132 /nfs/dbraw/zinc/42/51/32/569425132.db2.gz OCLBQSJMTUEIDD-RPWUZVMVSA-N 1 1 442.906 5.153 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+](CCCCN2C(=O)CC4(CCCC4)CC2=O)[C@@H]3CCC1 ZINC000057049725 569429253 /nfs/dbraw/zinc/42/92/53/569429253.db2.gz MKXJUHPZFKVOIT-XMMPIXPASA-N 1 1 447.623 5.132 50 0 biogenic IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+](CCCCN2C(=O)CC4(CCCC4)CC2=O)[C@@H]3CCC1 ZINC000057049725 569429254 /nfs/dbraw/zinc/42/92/54/569429254.db2.gz MKXJUHPZFKVOIT-XMMPIXPASA-N 1 1 447.623 5.132 50 0 biogenic IKAAMO Cc1nc(-c2ccc(C[NH2+][C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)s2)cs1 ZINC000057270779 569430295 /nfs/dbraw/zinc/43/02/95/569430295.db2.gz INOOXCXZKPYVFV-QFIPXVFZSA-N 1 1 437.565 5.789 50 0 IKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCC2)Nc1ccccc1OC(F)F ZINC000057323214 569431120 /nfs/dbraw/zinc/43/11/20/569431120.db2.gz YRSUKUQBKVSPNK-JOCHJYFZSA-N 1 1 428.504 5.156 50 0 IKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000057350730 569431247 /nfs/dbraw/zinc/43/12/47/569431247.db2.gz XHFRGGGUSSFUGD-SANMLTNESA-N 1 1 447.623 5.098 50 0 IKAAMO C[C@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000057452443 569435366 /nfs/dbraw/zinc/43/53/66/569435366.db2.gz UALUEOHVMCIOCF-ORAYPTAESA-N 1 1 433.346 5.356 50 0 IKAAMO Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000029880268 569437379 /nfs/dbraw/zinc/43/73/79/569437379.db2.gz PUGQXJKLJNCXKS-UHFFFAOYSA-N 1 1 449.624 5.319 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064211 569439704 /nfs/dbraw/zinc/43/97/04/569439704.db2.gz NFYSETAMGZWITF-ZALQFNEYSA-N 1 1 449.620 5.156 50 0 IKAAMO CCOC(=O)c1c(NC(=O)C[N@H+](C)C(c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000057884616 569442476 /nfs/dbraw/zinc/44/24/76/569442476.db2.gz JHTDEBVYJRBWRV-UHFFFAOYSA-N 1 1 448.588 5.073 50 0 IKAAMO CCOC(=O)c1c(NC(=O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000057884616 569442477 /nfs/dbraw/zinc/44/24/77/569442477.db2.gz JHTDEBVYJRBWRV-UHFFFAOYSA-N 1 1 448.588 5.073 50 0 IKAAMO COc1ccc(C[NH2+][C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1OC ZINC000003291420 569444410 /nfs/dbraw/zinc/44/44/10/569444410.db2.gz CGMWPNWPRYIIOC-JOCHJYFZSA-N 1 1 445.346 5.480 50 0 IKAAMO COc1cccc(C[NH2+][C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c1 ZINC000003454215 569451735 /nfs/dbraw/zinc/45/17/35/569451735.db2.gz HDURPLSRIYOWNE-NRFANRHFSA-N 1 1 448.872 5.837 50 0 IKAAMO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000004085515 569458755 /nfs/dbraw/zinc/45/87/55/569458755.db2.gz FKEAUJZKSIRFAS-HLMLHLEXSA-N 1 1 426.000 5.887 50 0 biogenic IKAAMO CCc1cc([C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545925 569463299 /nfs/dbraw/zinc/46/32/99/569463299.db2.gz XDFOKYZBXFRMIB-OAQYLSRUSA-N 1 1 428.985 6.385 50 0 IKAAMO COc1cccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)c1OC ZINC000038545906 569463336 /nfs/dbraw/zinc/46/33/36/569463336.db2.gz ALAAMVDEQPAGEA-NRFANRHFSA-N 1 1 440.565 5.494 50 0 IKAAMO COc1ccc([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)c(OC)c1 ZINC000038546682 569463730 /nfs/dbraw/zinc/46/37/30/569463730.db2.gz DIHICGUEZMGDMA-QFIPXVFZSA-N 1 1 440.565 5.494 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c1C ZINC000038547042 569463776 /nfs/dbraw/zinc/46/37/76/569463776.db2.gz YBXGDMGOAYDMSF-DEOSSOPVSA-N 1 1 445.563 6.661 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547097 569463786 /nfs/dbraw/zinc/46/37/86/569463786.db2.gz QIDJKVVILYLLNJ-QHCPKHFHSA-N 1 1 447.560 6.069 50 0 IKAAMO COc1ccccc1[C@@H](Nc1cc(C)cc[nH+]1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000038547554 569463842 /nfs/dbraw/zinc/46/38/42/569463842.db2.gz XENHQRXNQVSBMP-HSZRJFAPSA-N 1 1 447.560 6.124 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547800 569463850 /nfs/dbraw/zinc/46/38/50/569463850.db2.gz ZQCREIPYDLUSRA-QFIPXVFZSA-N 1 1 435.524 6.200 50 0 IKAAMO COc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547550 569463852 /nfs/dbraw/zinc/46/38/52/569463852.db2.gz ZVTLLRSHJBAXSM-HSZRJFAPSA-N 1 1 447.560 6.124 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547798 569463856 /nfs/dbraw/zinc/46/38/56/569463856.db2.gz ZQCREIPYDLUSRA-JOCHJYFZSA-N 1 1 435.524 6.200 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c1C ZINC000038547588 569463866 /nfs/dbraw/zinc/46/38/66/569463866.db2.gz SWVGMFLOMPUYBN-QFIPXVFZSA-N 1 1 435.524 6.254 50 0 IKAAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547552 569463882 /nfs/dbraw/zinc/46/38/82/569463882.db2.gz PJBJTJHRIGWDNH-HSZRJFAPSA-N 1 1 447.560 6.124 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccc(F)cc2)c1C ZINC000038547582 569463890 /nfs/dbraw/zinc/46/38/90/569463890.db2.gz WFJKMUXSNXZAKH-JOCHJYFZSA-N 1 1 435.524 6.254 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccc(F)cc2)c1C ZINC000038547580 569463928 /nfs/dbraw/zinc/46/39/28/569463928.db2.gz WFJKMUXSNXZAKH-QFIPXVFZSA-N 1 1 435.524 6.254 50 0 IKAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([N@H+](C)C5CCCCC5)C4=O)cc3)sc2c1 ZINC000008414497 569464101 /nfs/dbraw/zinc/46/41/01/569464101.db2.gz VFRYKIBVYZTXSW-OAQYLSRUSA-N 1 1 433.577 5.168 50 0 IKAAMO CC(C)(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000008722395 569471798 /nfs/dbraw/zinc/47/17/98/569471798.db2.gz PPDQMUBHZQIOGB-QHCPKHFHSA-N 1 1 431.605 5.458 50 0 IKAAMO CC(C)(C)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000008722395 569471799 /nfs/dbraw/zinc/47/17/99/569471799.db2.gz PPDQMUBHZQIOGB-QHCPKHFHSA-N 1 1 431.605 5.458 50 0 IKAAMO O=C1N[C@H](c2ccc3ccccc3c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722576 569471808 /nfs/dbraw/zinc/47/18/08/569471808.db2.gz NUTNAYUGESEVSS-DEOSSOPVSA-N 1 1 425.557 5.314 50 0 IKAAMO O=C1N[C@H](c2ccc3ccccc3c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722576 569471809 /nfs/dbraw/zinc/47/18/09/569471809.db2.gz NUTNAYUGESEVSS-DEOSSOPVSA-N 1 1 425.557 5.314 50 0 IKAAMO C[NH+](C)C1(c2nnnn2[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1 ZINC000008751093 569473413 /nfs/dbraw/zinc/47/34/13/569473413.db2.gz UZKVHHXLZVWXFE-FQEVSTJZSA-N 1 1 430.383 5.339 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008771708 569475227 /nfs/dbraw/zinc/47/52/27/569475227.db2.gz KLJYDOWCWHBHHT-OAQYLSRUSA-N 1 1 439.968 5.397 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008771708 569475228 /nfs/dbraw/zinc/47/52/28/569475228.db2.gz KLJYDOWCWHBHHT-OAQYLSRUSA-N 1 1 439.968 5.397 50 0 IKAAMO CCC1=Nc2cc(C(=O)NCC[N@@H+](C)Cc3ccccc3)ccc2Sc2ccc(C)cc21 ZINC000008813162 569476641 /nfs/dbraw/zinc/47/66/41/569476641.db2.gz VTZSRCILPBXDKM-UHFFFAOYSA-N 1 1 443.616 5.852 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCc3ccccc3C2)cc1 ZINC000039404159 569481608 /nfs/dbraw/zinc/48/16/08/569481608.db2.gz GFPCFZZUMAVBJX-UHFFFAOYSA-N 1 1 446.554 6.049 50 0 IKAAMO CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000040086080 569486677 /nfs/dbraw/zinc/48/66/77/569486677.db2.gz UNTCFCUJSAMAJD-UZLBHIALSA-N 1 1 431.552 5.016 50 0 IKAAMO Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)o2)cc1Cl ZINC000008923101 569486988 /nfs/dbraw/zinc/48/69/88/569486988.db2.gz UUGBGXKHRVSZFT-NRFANRHFSA-N 1 1 441.984 6.165 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000008922872 569487003 /nfs/dbraw/zinc/48/70/03/569487003.db2.gz QAMZDHJBEHMXMD-FQEVSTJZSA-N 1 1 427.957 5.857 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000008928040 569487375 /nfs/dbraw/zinc/48/73/75/569487375.db2.gz FBQHQKQSFUFZQW-LJQANCHMSA-N 1 1 448.375 6.122 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000009044503 569497980 /nfs/dbraw/zinc/49/79/80/569497980.db2.gz LTTSOKCDENKPEV-SFHVURJKSA-N 1 1 444.354 5.187 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000009044503 569497981 /nfs/dbraw/zinc/49/79/81/569497981.db2.gz LTTSOKCDENKPEV-SFHVURJKSA-N 1 1 444.354 5.187 50 0 IKAAMO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c3ccccc32)cc1 ZINC000009116093 569502846 /nfs/dbraw/zinc/50/28/46/569502846.db2.gz MKYWWTDGLGQDDF-PSWAGMNNSA-N 1 1 445.651 5.700 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000009116078 569502889 /nfs/dbraw/zinc/50/28/89/569502889.db2.gz GRSKPAFUXLHTRQ-AREMUKBSSA-N 1 1 445.651 5.701 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000009116125 569502963 /nfs/dbraw/zinc/50/29/63/569502963.db2.gz RPVSYECQMCROEW-SANMLTNESA-N 1 1 445.651 5.701 50 0 IKAAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000245328349 569503923 /nfs/dbraw/zinc/50/39/23/569503923.db2.gz NUMPGQUHOIMTSA-URXFXBBRSA-N 1 1 430.995 5.588 50 0 IKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000245329192 569504109 /nfs/dbraw/zinc/50/41/09/569504109.db2.gz RJNAEEVBEKVLCJ-RDGATRHJSA-N 1 1 436.596 5.654 50 0 IKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000009151112 569507357 /nfs/dbraw/zinc/50/73/57/569507357.db2.gz TWYCIQXKJMFEFL-UHFFFAOYSA-N 1 1 432.952 5.031 50 0 IKAAMO CC[N@@H+](CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1)Cc1ccccc1 ZINC000009251901 569515998 /nfs/dbraw/zinc/51/59/98/569515998.db2.gz KVEKMMBIYXLJGU-UHFFFAOYSA-N 1 1 446.620 5.346 50 0 IKAAMO C[NH+]1CCN(c2nc3ccc(OC(=O)c4sc5ccccc5c4Cl)cc3s2)CC1 ZINC000009316233 569522236 /nfs/dbraw/zinc/52/22/36/569522236.db2.gz CUGXXMUORYZBHS-UHFFFAOYSA-N 1 1 443.981 5.135 50 0 IKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000009409345 569531016 /nfs/dbraw/zinc/53/10/16/569531016.db2.gz IKXAZHVMIKPYHS-CVDCTZTESA-N 1 1 434.580 5.064 50 0 IKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+]3CCCC[C@@H]3C)cc21 ZINC000009409344 569531026 /nfs/dbraw/zinc/53/10/26/569531026.db2.gz IKXAZHVMIKPYHS-WMZHIEFXSA-N 1 1 434.580 5.064 50 0 IKAAMO Brc1c(OCCC[N@H+]2CCCC[C@@H]2c2cccnc2)ccc2ccccc21 ZINC000009410982 569531479 /nfs/dbraw/zinc/53/14/79/569531479.db2.gz DZPPULQLLRCPBO-OAQYLSRUSA-N 1 1 425.370 5.993 50 0 IKAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000009464969 569537806 /nfs/dbraw/zinc/53/78/06/569537806.db2.gz ZUBNXYQNHYIIDE-DEOSSOPVSA-N 1 1 444.531 5.056 50 0 IKAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccccc3)N3NC=NC3=[NH+]1)[C@H](c1ccc(Cl)cc1)O2 ZINC000009496471 569541239 /nfs/dbraw/zinc/54/12/39/569541239.db2.gz QYGALYPGJYIWCL-RPWUZVMVSA-N 1 1 426.907 5.453 50 0 IKAAMO Cc1ccc(NC(=O)[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000009516678 569543501 /nfs/dbraw/zinc/54/35/01/569543501.db2.gz PIJPPFAFFBOTRW-SANMLTNESA-N 1 1 441.575 5.091 50 0 IKAAMO CCC1=Nc2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CC)ccc2Sc2ccccc21 ZINC000009607870 569552023 /nfs/dbraw/zinc/55/20/23/569552023.db2.gz DWXVQJOTRKYNAZ-FQEVSTJZSA-N 1 1 435.637 6.066 50 0 IKAAMO CCC1=Nc2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)ccc2Sc2ccccc21 ZINC000009607897 569552029 /nfs/dbraw/zinc/55/20/29/569552029.db2.gz WREYSXFCFNMCSM-UHFFFAOYSA-N 1 1 435.637 6.066 50 0 IKAAMO CCCC1=Nc2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)ccc2Sc2ccc(C)cc21 ZINC000009608132 569552089 /nfs/dbraw/zinc/55/20/89/569552089.db2.gz KZSDSGQTWWXCQV-HXUWFJFHSA-N 1 1 449.664 6.375 50 0 IKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009671606 569558641 /nfs/dbraw/zinc/55/86/41/569558641.db2.gz KFSOASQLXNYPHA-XMMPIXPASA-N 1 1 428.532 5.437 50 0 IKAAMO COc1ccccc1Nc1cc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2n1 ZINC000009680919 569560168 /nfs/dbraw/zinc/56/01/68/569560168.db2.gz ZPMZNLDPMGLKBM-BGYRXZFFSA-N 1 1 446.595 5.085 50 0 IKAAMO Cc1ccc(Nc2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)c(C)c1 ZINC000009680788 569560205 /nfs/dbraw/zinc/56/02/05/569560205.db2.gz CNKVMDGZMFLUOQ-OYRHEFFESA-N 1 1 444.623 5.693 50 0 IKAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3c3cccs3)cc2)cc1 ZINC000009711831 569562088 /nfs/dbraw/zinc/56/20/88/569562088.db2.gz YRAMJFLCBFGCRO-QFIPXVFZSA-N 1 1 449.576 5.175 50 0 IKAAMO CCOc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+]3CCC[C@H]3c3cccs3)cc2)cc1 ZINC000009711831 569562089 /nfs/dbraw/zinc/56/20/89/569562089.db2.gz YRAMJFLCBFGCRO-QFIPXVFZSA-N 1 1 449.576 5.175 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)O[C@@H](C)C2)cc1Cl ZINC000001447688 132245594 /nfs/dbraw/zinc/24/55/94/132245594.db2.gz NHWRQMWDRHZODD-ROUUACIJSA-N 1 1 432.955 5.663 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000001447745 132245613 /nfs/dbraw/zinc/24/56/13/132245613.db2.gz JZHYGSMCUBOIET-OALUTQOASA-N 1 1 428.536 5.100 50 0 IKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2N2CCN(c3ccccc3)CC2)n1-c1ccccc1 ZINC000001447545 132245630 /nfs/dbraw/zinc/24/56/30/132245630.db2.gz QCRHCZOPSIUTBW-UHFFFAOYSA-N 1 1 431.543 5.414 50 0 IKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)cc1 ZINC000002715045 132256538 /nfs/dbraw/zinc/25/65/38/132256538.db2.gz MRYGNNRJSTWDGQ-UHFFFAOYSA-N 1 1 433.353 5.840 50 0 IKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)c1 ZINC000002714302 132256562 /nfs/dbraw/zinc/25/65/62/132256562.db2.gz MGSOXECABIZBAX-UHFFFAOYSA-N 1 1 445.570 5.723 50 0 IKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2N2CCC(Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000009531800 132321125 /nfs/dbraw/zinc/32/11/25/132321125.db2.gz VUOZZGFEVILPJF-UHFFFAOYSA-N 1 1 444.582 6.547 50 0 IKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035840695 519652213 /nfs/dbraw/zinc/65/22/13/519652213.db2.gz DSSFUSXNNQFGNJ-LJAQVGFWSA-N 1 1 446.679 6.286 50 0 IKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1F ZINC000035841257 519652753 /nfs/dbraw/zinc/65/27/53/519652753.db2.gz DJVWJUIAEONSGE-UHFFFAOYSA-N 1 1 432.505 6.743 50 0 IKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000035843631 519709724 /nfs/dbraw/zinc/70/97/24/519709724.db2.gz WSNJYSVQGKNNAY-JOCHJYFZSA-N 1 1 437.436 5.726 50 0 IKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)C1 ZINC000020840713 519863920 /nfs/dbraw/zinc/86/39/20/519863920.db2.gz JGFJXKFDPCIUDW-UHFFFAOYSA-N 1 1 439.437 5.641 50 0 IKAAMO CCC[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)C1 ZINC000020840713 519863923 /nfs/dbraw/zinc/86/39/23/519863923.db2.gz JGFJXKFDPCIUDW-UHFFFAOYSA-N 1 1 439.437 5.641 50 0 IKAAMO CC(C)c1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(F)cc4)CC2)n1)CC[C@H](C)C3 ZINC000035892807 519872550 /nfs/dbraw/zinc/87/25/50/519872550.db2.gz LZIQBJPQRRCKMC-KRWDZBQOSA-N 1 1 438.616 5.401 50 0 IKAAMO CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(C)cc1)C[N@H+](CC)CC3 ZINC000035427404 519884124 /nfs/dbraw/zinc/88/41/24/519884124.db2.gz XPHSERKTOOPQGK-DEOSSOPVSA-N 1 1 448.636 5.250 50 0 IKAAMO CCCCCc1ccc(C(=O)Nc2ccc3[nH]cc(CC[N@@H+](CCC)CC4CC4)c3c2)cc1 ZINC000023317233 520323878 /nfs/dbraw/zinc/32/38/78/520323878.db2.gz RXHUFMFIPDFAEK-UHFFFAOYSA-N 1 1 445.651 6.817 50 0 IKAAMO CCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843636 520442626 /nfs/dbraw/zinc/44/26/26/520442626.db2.gz MMNCERGMCAPLTP-QFIPXVFZSA-N 1 1 438.971 5.495 50 0 IKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843636 520442631 /nfs/dbraw/zinc/44/26/31/520442631.db2.gz MMNCERGMCAPLTP-QFIPXVFZSA-N 1 1 438.971 5.495 50 0 IKAAMO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000012802669 520551277 /nfs/dbraw/zinc/55/12/77/520551277.db2.gz HLMSCAFDILTRBM-RUZDIDTESA-N 1 1 449.982 5.140 50 0 IKAAMO CCOc1cc(C[N@@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)ccc1OC(F)F ZINC000021585107 520695771 /nfs/dbraw/zinc/69/57/71/520695771.db2.gz LOAQFHVGINBGSR-UHFFFAOYSA-N 1 1 443.490 5.575 50 0 IKAAMO CCCC[C@@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447031 521123658 /nfs/dbraw/zinc/12/36/58/521123658.db2.gz XMOALVBFZYUAEM-LOSJGSFVSA-N 1 1 432.004 5.233 50 0 IKAAMO CCCC[C@](O)(c1ccc(OCC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447028 521254984 /nfs/dbraw/zinc/25/49/84/521254984.db2.gz XMOALVBFZYUAEM-DQEYMECFSA-N 1 1 432.004 5.233 50 0 IKAAMO CCOc1ccccc1-c1nc(C[NH+]2CCC(Oc3ccc(Cl)cc3)CC2)c(C)o1 ZINC000012092980 521438999 /nfs/dbraw/zinc/43/89/99/521438999.db2.gz DDBOYKOXGWMNOV-UHFFFAOYSA-N 1 1 426.944 5.746 50 0 IKAAMO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cccc(Cl)c1 ZINC000035844809 521533556 /nfs/dbraw/zinc/53/35/56/521533556.db2.gz WSBKSJQAIOXNQR-UHFFFAOYSA-N 1 1 438.999 5.725 50 0 IKAAMO CC[NH+]1CCN(C(=O)c2c(C(C)C)nn(-c3ccc(Cl)c(Cl)c3)c2C(C)C)CC1 ZINC000035981241 521668688 /nfs/dbraw/zinc/66/86/88/521668688.db2.gz OHKFVCRZQRRGIS-UHFFFAOYSA-N 1 1 437.415 5.204 50 0 IKAAMO CCCn1ncc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C ZINC000012708214 521672131 /nfs/dbraw/zinc/67/21/31/521672131.db2.gz IZBOKJBNUSMJDY-GOSISDBHSA-N 1 1 436.522 5.251 50 0 IKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cccc3c2CCCC3)C1 ZINC000020532244 521724561 /nfs/dbraw/zinc/72/45/61/521724561.db2.gz SLJAUZLFBJXQKQ-SFHVURJKSA-N 1 1 448.636 5.678 50 0 IKAAMO COC(=O)c1ccccc1C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1 ZINC000035840998 522261456 /nfs/dbraw/zinc/26/14/56/522261456.db2.gz MLNNQJBQRWUVRZ-UHFFFAOYSA-N 1 1 434.555 5.797 50 0 IKAAMO COc1cc(Cl)cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1OC ZINC000012431672 522540076 /nfs/dbraw/zinc/54/00/76/522540076.db2.gz RISWUGNNSZNSCL-OAQYLSRUSA-N 1 1 425.960 5.327 50 0 IKAAMO C[N@@H+](CCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1)C1CCCCC1 ZINC000035560174 522769373 /nfs/dbraw/zinc/76/93/73/522769373.db2.gz ATOCGWRLNCYMJL-UHFFFAOYSA-N 1 1 439.003 5.122 50 0 IKAAMO COc1cc(OC)c(NC(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)cc1Cl ZINC000020466981 522805053 /nfs/dbraw/zinc/80/50/53/522805053.db2.gz MRPNFKZIGOUYHY-UHFFFAOYSA-N 1 1 445.991 5.004 50 0 IKAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc(F)cc1F ZINC000012431333 523045653 /nfs/dbraw/zinc/04/56/53/523045653.db2.gz QSEVFXAUNZZTSA-KRWDZBQOSA-N 1 1 440.456 5.010 50 0 IKAAMO CCn1c(C)c(C(C)=O)c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1=S ZINC000020255559 523122246 /nfs/dbraw/zinc/12/22/46/523122246.db2.gz NOYMGARZIVMHHD-UHFFFAOYSA-N 1 1 446.620 5.055 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000012208081 523139326 /nfs/dbraw/zinc/13/93/26/523139326.db2.gz PPNDSXCLZLEOMC-IBGZPJMESA-N 1 1 436.502 5.491 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000012208081 523139338 /nfs/dbraw/zinc/13/93/38/523139338.db2.gz PPNDSXCLZLEOMC-IBGZPJMESA-N 1 1 436.502 5.491 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3OC)C2)cc1 ZINC000012229182 523140469 /nfs/dbraw/zinc/14/04/69/523140469.db2.gz LBCCVJZUKKLESZ-QFIPXVFZSA-N 1 1 430.548 5.222 50 0 IKAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)[C@@H]1CCCc2ccccc21 ZINC000012299753 523150356 /nfs/dbraw/zinc/15/03/56/523150356.db2.gz GVPUCQPFZRVBOM-OAQYLSRUSA-N 1 1 436.625 5.312 50 0 IKAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2sccn12)[C@H]1CCCc2ccccc21 ZINC000012299754 523151154 /nfs/dbraw/zinc/15/11/54/523151154.db2.gz GVPUCQPFZRVBOM-NRFANRHFSA-N 1 1 436.625 5.312 50 0 IKAAMO COc1ccc(-c2csc3ncnc(NCCC[N@H+]4CCc5ccccc5C4)c23)cc1 ZINC000021643178 523172760 /nfs/dbraw/zinc/17/27/60/523172760.db2.gz ZLVGSGSMHPKPNU-UHFFFAOYSA-N 1 1 430.577 5.227 50 0 IKAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000012099800 523485076 /nfs/dbraw/zinc/48/50/76/523485076.db2.gz XDQGSDFLDUCYBJ-UHFFFAOYSA-N 1 1 426.626 5.330 50 0 IKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cccc(SC)c1)[C@H]2c1ccccc1 ZINC000021045564 523719099 /nfs/dbraw/zinc/71/90/99/523719099.db2.gz LYYQJAAZINKSDN-DEOSSOPVSA-N 1 1 436.646 5.927 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cccc(SC)c1)[C@H]2c1ccccc1 ZINC000021045564 523719106 /nfs/dbraw/zinc/71/91/06/523719106.db2.gz LYYQJAAZINKSDN-DEOSSOPVSA-N 1 1 436.646 5.927 50 0 IKAAMO C[N@@H+]1C(c2ccccc2)=C2C(=C(c3ccccc3)S[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000035317316 523738975 /nfs/dbraw/zinc/73/89/75/523738975.db2.gz AGWKWLAMWBICBO-QCENPCRXSA-N 1 1 443.615 7.984 50 0 IKAAMO C[N@@H+]1C(c2ccccc2)=C2C(=C(c3ccccc3)S[C@@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000035317313 523739201 /nfs/dbraw/zinc/73/92/01/523739201.db2.gz AGWKWLAMWBICBO-GRKNLSHJSA-N 1 1 443.615 7.984 50 0 IKAAMO C[N@H+]1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C3CCCC3)c2=S)CC1 ZINC000022038944 523809095 /nfs/dbraw/zinc/80/90/95/523809095.db2.gz WZXUMOOOZFAVTE-UHFFFAOYSA-N 1 1 427.662 5.089 50 0 IKAAMO COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000012568135 523839651 /nfs/dbraw/zinc/83/96/51/523839651.db2.gz OJNMNUYRCCCUCU-HHHXNRCGSA-N 1 1 443.591 6.032 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476914 523843948 /nfs/dbraw/zinc/84/39/48/523843948.db2.gz HKCWDLQTETYBIC-HSZRJFAPSA-N 1 1 428.561 5.863 50 0 IKAAMO CCc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)o1 ZINC000020452181 523926100 /nfs/dbraw/zinc/92/61/00/523926100.db2.gz RGONRIVQJILZRH-QFIPXVFZSA-N 1 1 438.575 6.049 50 0 IKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 ZINC000022905023 523996276 /nfs/dbraw/zinc/99/62/76/523996276.db2.gz SYVMIBRSYMZSNT-UHFFFAOYSA-N 1 1 445.569 6.011 50 0 IKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 ZINC000022905023 523996279 /nfs/dbraw/zinc/99/62/79/523996279.db2.gz SYVMIBRSYMZSNT-UHFFFAOYSA-N 1 1 445.569 6.011 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000021527956 524099671 /nfs/dbraw/zinc/09/96/71/524099671.db2.gz CJALUMQFKCWFJQ-OAQYLSRUSA-N 1 1 435.587 5.142 50 0 IKAAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476845 524100817 /nfs/dbraw/zinc/10/08/17/524100817.db2.gz SGGSZWVXEJKQGU-XMMPIXPASA-N 1 1 443.572 6.222 50 0 IKAAMO C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000020624088 524125682 /nfs/dbraw/zinc/12/56/82/524125682.db2.gz GIAJDZFBAPFCBO-GOSISDBHSA-N 1 1 431.967 5.422 50 0 IKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795514 524152467 /nfs/dbraw/zinc/15/24/67/524152467.db2.gz SXGLTDFZQUPLKU-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021795514 524152478 /nfs/dbraw/zinc/15/24/78/524152478.db2.gz SXGLTDFZQUPLKU-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000012884539 524227809 /nfs/dbraw/zinc/22/78/09/524227809.db2.gz BJCHICZXAWGDFL-CREZILFCSA-N 1 1 426.000 5.743 50 0 biogenic IKAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cc4cc5cc(C)ccc5nc4s3)C2)cc1 ZINC000021087484 524467758 /nfs/dbraw/zinc/46/77/58/524467758.db2.gz RTZOFWDMIIJJHO-FQEVSTJZSA-N 1 1 429.589 5.318 50 0 IKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1C ZINC000021795542 524642700 /nfs/dbraw/zinc/64/27/00/524642700.db2.gz VQCOLMVTRNHHHB-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)c1C ZINC000021795542 524642709 /nfs/dbraw/zinc/64/27/09/524642709.db2.gz VQCOLMVTRNHHHB-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012453765 524752995 /nfs/dbraw/zinc/75/29/95/524752995.db2.gz JSUYQPIJWVUBEY-IBGZPJMESA-N 1 1 426.900 5.378 50 0 IKAAMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012453765 524752999 /nfs/dbraw/zinc/75/29/99/524752999.db2.gz JSUYQPIJWVUBEY-IBGZPJMESA-N 1 1 426.900 5.378 50 0 IKAAMO COc1ccc(OC)c(-c2nc(C[N@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)c1 ZINC000012301931 524796588 /nfs/dbraw/zinc/79/65/88/524796588.db2.gz WCZGUZCOOOVXIG-UHFFFAOYSA-N 1 1 446.551 5.102 50 0 IKAAMO COc1ccc(OC)c(-c2nc(C[N@@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)c1 ZINC000012301931 524796601 /nfs/dbraw/zinc/79/66/01/524796601.db2.gz WCZGUZCOOOVXIG-UHFFFAOYSA-N 1 1 446.551 5.102 50 0 IKAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012204998 524986175 /nfs/dbraw/zinc/98/61/75/524986175.db2.gz BFGMYOYQYDELPR-SFHVURJKSA-N 1 1 426.561 5.012 50 0 IKAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012205008 524987441 /nfs/dbraw/zinc/98/74/41/524987441.db2.gz BFGMYOYQYDELPR-GOSISDBHSA-N 1 1 426.561 5.012 50 0 IKAAMO Cc1ccccc1-c1ccc(C[N@H+]2CCOc3ccc([C@H](O)c4cccnc4)cc3C2)cc1 ZINC000012152216 525004346 /nfs/dbraw/zinc/00/43/46/525004346.db2.gz OJAQRYUDRSIYCQ-LJAQVGFWSA-N 1 1 436.555 5.533 50 0 IKAAMO Cc1ccccc1-c1ncc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000012301422 525013928 /nfs/dbraw/zinc/01/39/28/525013928.db2.gz FQSYAOGNKJLHRU-SANMLTNESA-N 1 1 448.655 5.088 50 0 IKAAMO Cc1ccc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c(Br)c1 ZINC000012769650 525064965 /nfs/dbraw/zinc/06/49/65/525064965.db2.gz PZOQRRFIIDUYII-FQEVSTJZSA-N 1 1 433.346 5.276 50 0 IKAAMO Cc1ccccc1C[N@H+](C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000012529086 525127275 /nfs/dbraw/zinc/12/72/75/525127275.db2.gz FFNRRPJHNGFQPC-GDLZYMKVSA-N 1 1 447.582 5.958 50 0 IKAAMO Cc1ccccc1C[N@@H+](C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000012529086 525127284 /nfs/dbraw/zinc/12/72/84/525127284.db2.gz FFNRRPJHNGFQPC-GDLZYMKVSA-N 1 1 447.582 5.958 50 0 IKAAMO Cc1ccc(Nc2nc(NCCC[N@@H+](Cc3ccccc3)C(C)C)nc3c2cnn3C)cc1 ZINC000021928923 525327997 /nfs/dbraw/zinc/32/79/97/525327997.db2.gz YGTRNOCFBVTULT-UHFFFAOYSA-N 1 1 443.599 5.128 50 0 IKAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000012529252 525405038 /nfs/dbraw/zinc/40/50/38/525405038.db2.gz DRLQYRAHNGPDIT-CCLHPLFOSA-N 1 1 441.575 5.401 50 0 IKAAMO Cc1[nH]c2ccc(NC(=O)C(C)(C)C)cc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021659665 525429805 /nfs/dbraw/zinc/42/98/05/525429805.db2.gz BUSSTCAPCNXAIY-DEOSSOPVSA-N 1 1 427.552 5.761 50 0 IKAAMO C[C@H]([NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1nnc2n1CCCCC2 ZINC000040088625 525446903 /nfs/dbraw/zinc/44/69/03/525446903.db2.gz KPBZRCJKPDSJET-INIZCTEOSA-N 1 1 428.939 5.227 50 0 IKAAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012535005 525656095 /nfs/dbraw/zinc/65/60/95/525656095.db2.gz ODLFGKBQTRKFHJ-HNNXBMFYSA-N 1 1 436.606 5.877 50 0 IKAAMO Cc1cc2ncn(CC3CC[NH+](CC(=O)Nc4ccccc4C(F)(F)F)CC3)c2cc1C ZINC000042381127 525683048 /nfs/dbraw/zinc/68/30/48/525683048.db2.gz JLKLWLZBUKWYKP-UHFFFAOYSA-N 1 1 444.501 5.023 50 0 IKAAMO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000012431142 525715151 /nfs/dbraw/zinc/71/51/51/525715151.db2.gz AKWFYJJRIDMFEB-UHFFFAOYSA-N 1 1 436.502 5.491 50 0 IKAAMO COc1cccc(C[N@@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)[C@@H](C)C(C)C)c1 ZINC000035841210 525923237 /nfs/dbraw/zinc/92/32/37/525923237.db2.gz MXHQNWXDWUEBBQ-FQEVSTJZSA-N 1 1 444.541 6.611 50 0 IKAAMO COc1cccc(Cn2cccc2C[N@H+](Cc2cccc(OC)c2)CC2CCCCC2)c1 ZINC000035841147 525924668 /nfs/dbraw/zinc/92/46/68/525924668.db2.gz SNLOUIJQXCXQLR-UHFFFAOYSA-N 1 1 432.608 6.136 50 0 IKAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1cccn1Cc1ccccc1)C1CCCCC1 ZINC000035840434 526285518 /nfs/dbraw/zinc/28/55/18/526285518.db2.gz QMANSBFNPVSWMB-NDEPHWFRSA-N 1 1 432.608 5.249 50 0 IKAAMO Fc1ccc(Cn2cccc2C[N@@H+](Cc2cccc(C(F)(F)F)c2)C2CCCCC2)cc1 ZINC000035843736 526347483 /nfs/dbraw/zinc/34/74/83/526347483.db2.gz LHRVYIPWLLZBAL-UHFFFAOYSA-N 1 1 444.516 7.029 50 0 IKAAMO c1c(C[N@H+]2CCC[C@@H]2c2ccccn2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000012308687 526397220 /nfs/dbraw/zinc/39/72/20/526397220.db2.gz LPOVPYCGQIMYBS-XMMPIXPASA-N 1 1 438.531 5.059 50 0 IKAAMO c1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)n(-c2ccccn2)c1 ZINC000012308842 526422492 /nfs/dbraw/zinc/42/24/92/526422492.db2.gz PIUWYLSUBZHTIW-VWLOTQADSA-N 1 1 443.639 5.314 50 0 IKAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000020780228 526493307 /nfs/dbraw/zinc/49/33/07/526493307.db2.gz NVULBQUATBINSR-UHFFFAOYSA-N 1 1 435.522 5.140 50 0 IKAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000022907902 526493654 /nfs/dbraw/zinc/49/36/54/526493654.db2.gz QPPUXQODVXAHPD-FQEVSTJZSA-N 1 1 441.394 5.040 50 0 IKAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000022907902 526493658 /nfs/dbraw/zinc/49/36/58/526493658.db2.gz QPPUXQODVXAHPD-FQEVSTJZSA-N 1 1 441.394 5.040 50 0 IKAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000022907777 526494538 /nfs/dbraw/zinc/49/45/38/526494538.db2.gz NNWODLIVVPGVLC-FQEVSTJZSA-N 1 1 441.394 5.040 50 0 IKAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000022907777 526494542 /nfs/dbraw/zinc/49/45/42/526494542.db2.gz NNWODLIVVPGVLC-FQEVSTJZSA-N 1 1 441.394 5.040 50 0 IKAAMO O=C(CC[C@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012302079 526569489 /nfs/dbraw/zinc/56/94/89/526569489.db2.gz HXYMRPQZLDIWLM-MRXNPFEDSA-N 1 1 430.474 5.213 50 0 IKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012302079 526569490 /nfs/dbraw/zinc/56/94/90/526569490.db2.gz HXYMRPQZLDIWLM-MRXNPFEDSA-N 1 1 430.474 5.213 50 0 IKAAMO Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000012740915 526602556 /nfs/dbraw/zinc/60/25/56/526602556.db2.gz CKPJOLDTPGYFHV-GASCZTMLSA-N 1 1 426.611 5.305 50 0 IKAAMO Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000012740915 526602566 /nfs/dbraw/zinc/60/25/66/526602566.db2.gz CKPJOLDTPGYFHV-GASCZTMLSA-N 1 1 426.611 5.305 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000012454763 526729982 /nfs/dbraw/zinc/72/99/82/526729982.db2.gz LPHUPCZQCFWKLK-IBGZPJMESA-N 1 1 435.490 5.036 50 0 IKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020994733 526732539 /nfs/dbraw/zinc/73/25/39/526732539.db2.gz CHOCYMZHFYUCBO-KRWDZBQOSA-N 1 1 441.453 6.190 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccccn2)c1C ZINC000035476892 526884161 /nfs/dbraw/zinc/88/41/61/526884161.db2.gz NALMRVOAUNUBFO-QHCPKHFHSA-N 1 1 428.561 5.917 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)cc[nH+]2)c2cccnc2)c1C ZINC000035476897 526885039 /nfs/dbraw/zinc/88/50/39/526885039.db2.gz BCZYXVSTRYLARZ-HSZRJFAPSA-N 1 1 428.561 5.917 50 0 IKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(Br)cc1F ZINC000012926595 526886572 /nfs/dbraw/zinc/88/65/72/526886572.db2.gz GCQCJSXOWOSVRC-LJQANCHMSA-N 1 1 437.309 5.107 50 0 IKAAMO Cc1sc2[nH]c(C[NH2+][C@H](C)c3ccc(F)c(F)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012890484 526893043 /nfs/dbraw/zinc/89/30/43/526893043.db2.gz ZPFMCSKOADHBIG-CYBMUJFWSA-N 1 1 425.504 5.397 50 0 IKAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000021795422 527003502 /nfs/dbraw/zinc/00/35/02/527003502.db2.gz RAKCCVHLOJBIEU-UHFFFAOYSA-N 1 1 430.434 5.257 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc(N(C)C)[nH+]1 ZINC000021795422 527003511 /nfs/dbraw/zinc/00/35/11/527003511.db2.gz RAKCCVHLOJBIEU-UHFFFAOYSA-N 1 1 430.434 5.257 50 0 IKAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000020536951 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MYMRHCZAYUWDBB-HRFSGMKKSA-N 1 1 446.566 5.265 50 0 IKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667471 555791762 /nfs/dbraw/zinc/79/17/62/555791762.db2.gz YAXFIAZKGNUNPQ-PPHZAIPVSA-N 1 1 444.550 5.019 50 0 IKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667471 555791763 /nfs/dbraw/zinc/79/17/63/555791763.db2.gz YAXFIAZKGNUNPQ-PPHZAIPVSA-N 1 1 444.550 5.019 50 0 IKAAMO Cc1ccc(C[N@H+](CCC(C)C)Cc2ccc(C(=O)NCc3cccc(F)c3)cc2)s1 ZINC000034670168 555792784 /nfs/dbraw/zinc/79/27/84/555792784.db2.gz FAUCTXMAPQGZMA-UHFFFAOYSA-N 1 1 438.612 6.174 50 0 IKAAMO CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671680 555793057 /nfs/dbraw/zinc/79/30/57/555793057.db2.gz HMYDGHQJZPGQCZ-NSOVKSMOSA-N 1 1 442.603 5.436 50 0 IKAAMO CCN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671564 555793159 /nfs/dbraw/zinc/79/31/59/555793159.db2.gz ROOMXRGYCUNMFW-ZBLYBZFDSA-N 1 1 428.576 5.080 50 0 IKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(OCC(=O)NC(C)C)cc3[C@@H]2c2ccccc2)c1 ZINC000034671862 555793447 /nfs/dbraw/zinc/79/34/47/555793447.db2.gz JLKVSOOTEBSARA-NDEPHWFRSA-N 1 1 428.576 5.046 50 0 IKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2OC)cc1 ZINC000002752870 555810686 /nfs/dbraw/zinc/81/06/86/555810686.db2.gz HCAYRYMSLOJJLD-UHFFFAOYSA-N 1 1 449.547 5.076 50 0 IKAAMO Cc1cc(C[N@@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccccc3C)C2)oc1C ZINC000034698809 555812358 /nfs/dbraw/zinc/81/23/58/555812358.db2.gz TXZOYSCXCOPWJM-NAKRPHOHSA-N 1 1 444.619 5.971 50 0 IKAAMO Cc1ccsc1C[N@@H+]1C[C@H](CN(C(=O)c2ccccc2)C(C)C)[C@@H](c2ccccc2C)C1 ZINC000034698791 555812396 /nfs/dbraw/zinc/81/23/96/555812396.db2.gz FGWTXUFTMJQVOO-RSXGOPAZSA-N 1 1 446.660 6.131 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)o1 ZINC000034698955 555812407 /nfs/dbraw/zinc/81/24/07/555812407.db2.gz LAYZZVWVEAYMPA-IXCJQBJRSA-N 1 1 444.619 5.910 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698799 555812419 /nfs/dbraw/zinc/81/24/19/555812419.db2.gz IDYBSXZMTOQFNX-NAKRPHOHSA-N 1 1 444.594 5.901 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698785 555812567 /nfs/dbraw/zinc/81/25/67/555812567.db2.gz ZWCOCJLHTMXBGQ-VPUSJEBWSA-N 1 1 444.594 5.901 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccsc2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698797 555812589 /nfs/dbraw/zinc/81/25/89/555812589.db2.gz JTQNFLGWCQNANH-RSXGOPAZSA-N 1 1 432.633 5.823 50 0 IKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000034699007 555812695 /nfs/dbraw/zinc/81/26/95/555812695.db2.gz RJNAEEVBEKVLCJ-RCZVLFRGSA-N 1 1 436.596 5.654 50 0 IKAAMO Cc1ccc([C@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699089 555812712 /nfs/dbraw/zinc/81/27/12/555812712.db2.gz DONBNZOENJWJPE-AOYPEHQESA-N 1 1 432.633 5.823 50 0 IKAAMO 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556129441 /nfs/dbraw/zinc/12/94/41/556129441.db2.gz QSOYIDVBDWSREM-UHFFFAOYSA-N 1 1 438.962 6.704 50 0 IKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)cc1 ZINC000002714486 556129810 /nfs/dbraw/zinc/12/98/10/556129810.db2.gz JODSMGWEZDCISC-UHFFFAOYSA-N 1 1 445.353 7.006 50 0 IKAAMO Clc1cccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000002715118 556130286 /nfs/dbraw/zinc/13/02/86/556130286.db2.gz ZMZPOFHZTWOPQD-UHFFFAOYSA-N 1 1 445.353 7.006 50 0 IKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cccc2ccccc21 ZINC000002768371 556139831 /nfs/dbraw/zinc/13/98/31/556139831.db2.gz CZQIHYHPNTUNNC-UHFFFAOYSA-N 1 1 439.555 6.212 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000002915344 556149081 /nfs/dbraw/zinc/14/90/81/556149081.db2.gz JYJZEMKRIHSWLE-RPBOFIJWSA-N 1 1 440.934 5.761 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000008414660 556167376 /nfs/dbraw/zinc/16/73/76/556167376.db2.gz SKFHLRLOYXFONB-WIYYLYMNSA-N 1 1 433.577 5.168 50 0 IKAAMO C[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1 ZINC000008438784 556174876 /nfs/dbraw/zinc/17/48/76/556174876.db2.gz YSOKTNCRCPDOCA-OPNRCYEZSA-N 1 1 427.673 5.162 50 0 IKAAMO CCN(CC)S(=O)(=O)c1ccc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000008870915 556229700 /nfs/dbraw/zinc/22/97/00/556229700.db2.gz YVLDZOFYHXFHEN-UHFFFAOYSA-N 1 1 437.487 5.336 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000008913969 556231558 /nfs/dbraw/zinc/23/15/58/556231558.db2.gz QFANSAHOUVUNCO-DNQXCXABSA-N 1 1 426.907 5.453 50 0 IKAAMO COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)C[NH+]1CCC(C)CC1 ZINC000009425616 556289952 /nfs/dbraw/zinc/28/99/52/556289952.db2.gz ZWWYHUGONREJDQ-UHFFFAOYSA-N 1 1 434.652 5.528 50 0 IKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000013778089 556307705 /nfs/dbraw/zinc/30/77/05/556307705.db2.gz KYVWHOUGNSMFTK-HNPKZYAISA-N 1 1 444.575 5.155 50 0 IKAAMO C[N@H+]1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000229875873 556337983 /nfs/dbraw/zinc/33/79/83/556337983.db2.gz GYOAHBGWMYFOGR-MSOLQXFVSA-N 1 1 434.750 6.435 50 0 IKAAMO COc1ccc2cc(-c3n[nH]cc3C[NH2+][C@H](c3nc4ccc(C)cc4[nH]3)C(C)C)ccc2c1 ZINC000011664742 556345228 /nfs/dbraw/zinc/34/52/28/556345228.db2.gz GMINVGCOMGNYJS-VWLOTQADSA-N 1 1 439.563 5.910 50 0 IKAAMO COc1cc(/C=C/C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1O ZINC000011701148 556347267 /nfs/dbraw/zinc/34/72/67/556347267.db2.gz WNITYRNEBMGHGR-RHRNASEZSA-N 1 1 432.520 5.025 50 0 IKAAMO O=C1CC[C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@@H]2N1Cc1ccc(C(F)(F)F)cc1 ZINC000011788944 556354605 /nfs/dbraw/zinc/35/46/05/556354605.db2.gz KDGXQRSCUAUXED-NQIIRXRSSA-N 1 1 436.905 5.372 50 0 IKAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)Nc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000011813931 556357235 /nfs/dbraw/zinc/35/72/35/556357235.db2.gz GCYGWTKFJQNNMU-UHFFFAOYSA-N 1 1 440.950 5.039 50 0 IKAAMO Cc1oc(-c2cccs2)nc1CN(C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000011817036 556359505 /nfs/dbraw/zinc/35/95/05/556359505.db2.gz VZPYMAANXRKUPN-UHFFFAOYSA-N 1 1 427.589 5.237 50 0 IKAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000011817910 556359927 /nfs/dbraw/zinc/35/99/27/556359927.db2.gz RMTLLXIHIDOLOB-OAQYLSRUSA-N 1 1 434.559 5.259 50 0 IKAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCC[C@H](COc4cccc(F)c4)C3)c(C)o2)c1 ZINC000011817975 556360472 /nfs/dbraw/zinc/36/04/72/556360472.db2.gz JELHWQANQIKVNZ-SFHVURJKSA-N 1 1 440.515 5.097 50 0 IKAAMO O=C(CCc1ccccc1F)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011873873 556370258 /nfs/dbraw/zinc/37/02/58/556370258.db2.gz MJNMGLATRKFGTC-HSZRJFAPSA-N 1 1 437.603 5.227 50 0 IKAAMO O=C(CCc1ccccc1F)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011873874 556370321 /nfs/dbraw/zinc/37/03/21/556370321.db2.gz MJNMGLATRKFGTC-QHCPKHFHSA-N 1 1 437.603 5.227 50 0 IKAAMO O=C(c1cc2ccccc2o1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000011874619 556370707 /nfs/dbraw/zinc/37/07/07/556370707.db2.gz YAUWEXCOWZTTHC-JOCHJYFZSA-N 1 1 437.628 5.016 50 0 IKAAMO O=C(c1cc2ccccc2o1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000011874619 556370710 /nfs/dbraw/zinc/37/07/10/556370710.db2.gz YAUWEXCOWZTTHC-JOCHJYFZSA-N 1 1 437.628 5.016 50 0 IKAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011935164 556378006 /nfs/dbraw/zinc/37/80/06/556378006.db2.gz AOWDZRRWLIPUML-SFHVURJKSA-N 1 1 438.522 5.294 50 0 IKAAMO CCCCc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)[nH]1 ZINC000011936745 556379127 /nfs/dbraw/zinc/37/91/27/556379127.db2.gz AJRCDANKWRYMHK-NRFANRHFSA-N 1 1 446.595 5.279 50 0 IKAAMO CCCCc1nc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c[nH]1 ZINC000011936745 556379129 /nfs/dbraw/zinc/37/91/29/556379129.db2.gz AJRCDANKWRYMHK-NRFANRHFSA-N 1 1 446.595 5.279 50 0 IKAAMO CCCCc1nc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c[nH]1 ZINC000011936745 556379132 /nfs/dbraw/zinc/37/91/32/556379132.db2.gz AJRCDANKWRYMHK-NRFANRHFSA-N 1 1 446.595 5.279 50 0 IKAAMO O=C(c1cc(F)c(F)cc1F)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011937469 556379139 /nfs/dbraw/zinc/37/91/39/556379139.db2.gz QYIKUIZKYFJZBR-LJQANCHMSA-N 1 1 445.529 5.186 50 0 IKAAMO C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nc2ccccc2o1 ZINC000012050024 556392158 /nfs/dbraw/zinc/39/21/58/556392158.db2.gz GGMCSLGSRHIWEZ-UHFFFAOYSA-N 1 1 438.487 5.041 50 0 IKAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1nc2ccccc2o1 ZINC000012050024 556392159 /nfs/dbraw/zinc/39/21/59/556392159.db2.gz GGMCSLGSRHIWEZ-UHFFFAOYSA-N 1 1 438.487 5.041 50 0 IKAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1oc2ccccc2c1COc1ccccc1 ZINC000014252510 556409507 /nfs/dbraw/zinc/40/95/07/556409507.db2.gz NGACEMAFJHQODR-NRFANRHFSA-N 1 1 426.516 5.016 50 0 IKAAMO C[NH+](C)[C@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)c1ccccc1Cl ZINC000013031431 556442569 /nfs/dbraw/zinc/44/25/69/556442569.db2.gz LSGUKRXOARVYCQ-LJQANCHMSA-N 1 1 443.403 6.380 50 0 IKAAMO O=C(c1ccc(Cl)cc1)[C@H]1C[N@@H+](C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000013041488 556447573 /nfs/dbraw/zinc/44/75/73/556447573.db2.gz CPVHOEXRGVOAQJ-ISKFKSNPSA-N 1 1 432.391 5.719 50 0 IKAAMO Cc1cc(Oc2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)ccc1Cl ZINC000013068638 556452612 /nfs/dbraw/zinc/45/26/12/556452612.db2.gz MPVQDRTWCAJGIC-UHFFFAOYSA-N 1 1 428.001 6.166 50 0 IKAAMO COc1cccc(-n2c(C[N@H+](C)CC(C)C)nnc2SCc2cccc(Cl)c2)c1 ZINC000014885318 556455113 /nfs/dbraw/zinc/45/51/13/556455113.db2.gz YVASRXBSYWMDML-UHFFFAOYSA-N 1 1 431.005 5.309 50 0 IKAAMO COc1cccc(-n2c(C[N@@H+](C)CC(C)C)nnc2SCc2cccc(Cl)c2)c1 ZINC000014885318 556455116 /nfs/dbraw/zinc/45/51/16/556455116.db2.gz YVASRXBSYWMDML-UHFFFAOYSA-N 1 1 431.005 5.309 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000014968588 556466514 /nfs/dbraw/zinc/46/65/14/556466514.db2.gz WCRLKABLZZZLCB-MRXNPFEDSA-N 1 1 434.939 5.127 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC000014968584 556466568 /nfs/dbraw/zinc/46/65/68/556466568.db2.gz WCRLKABLZZZLCB-INIZCTEOSA-N 1 1 434.939 5.127 50 0 IKAAMO Cc1ccccc1CN1CC[C@@H]([N@@H+](C)Cc2csc(-c3cccs3)n2)CCC1=O ZINC000014977759 556469615 /nfs/dbraw/zinc/46/96/15/556469615.db2.gz AOUKYHNZVXFZKW-FQEVSTJZSA-N 1 1 425.623 5.193 50 0 IKAAMO Cc1ccccc1CN1CC[C@H]([N@@H+](C)Cc2csc(-c3cccs3)n2)CCC1=O ZINC000014977762 556469624 /nfs/dbraw/zinc/46/96/24/556469624.db2.gz AOUKYHNZVXFZKW-HXUWFJFHSA-N 1 1 425.623 5.193 50 0 IKAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000014993393 556476209 /nfs/dbraw/zinc/47/62/09/556476209.db2.gz HTTSLYOTUZRYJU-QHCPKHFHSA-N 1 1 449.620 5.239 50 0 IKAAMO Cc1[nH]c2c(cccc2C(=O)NC[C@@H](C)Oc2cccc(C[N@@H+](C)Cc3ccoc3)c2)c1C ZINC000014999848 556479494 /nfs/dbraw/zinc/47/94/94/556479494.db2.gz GPVLMJXRUOXAAN-GOSISDBHSA-N 1 1 445.563 5.207 50 0 IKAAMO COc1cc2cc(C[N@@H+](C)Cc3ccsc3)c(=O)n(CC3CCCCC3)c2cc1OC ZINC000015001196 556479779 /nfs/dbraw/zinc/47/97/79/556479779.db2.gz JIDYIPMFOKKQMV-UHFFFAOYSA-N 1 1 440.609 5.293 50 0 IKAAMO O=C(NC[C@H]1CCC[N@H+](C2C3CC4CC(C3)CC2C4)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000015063724 556491423 /nfs/dbraw/zinc/49/14/23/556491423.db2.gz HKMUWVDXRLVARO-LEBZOEITSA-N 1 1 427.032 5.025 50 0 IKAAMO COCc1ccc(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)o1 ZINC000015064657 556492148 /nfs/dbraw/zinc/49/21/48/556492148.db2.gz KHWCPFRJHXLOJH-UHFFFAOYSA-N 1 1 433.596 5.044 50 0 IKAAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000015067034 556493301 /nfs/dbraw/zinc/49/33/01/556493301.db2.gz XTDADCYKYIVXOD-HXUWFJFHSA-N 1 1 434.634 5.702 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)cc1 ZINC000015071332 556496200 /nfs/dbraw/zinc/49/62/00/556496200.db2.gz PAPPXRHZSSNDHO-FQEVSTJZSA-N 1 1 436.502 5.491 50 0 IKAAMO CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000015071309 556496285 /nfs/dbraw/zinc/49/62/85/556496285.db2.gz ADMQXZZCTJVENH-OAQYLSRUSA-N 1 1 442.987 5.252 50 0 IKAAMO CCCCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000013574406 556524644 /nfs/dbraw/zinc/52/46/44/556524644.db2.gz PEAWUHWNJQBCHS-SANMLTNESA-N 1 1 448.607 5.232 50 0 IKAAMO CC(=O)N[C@H](CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(Cl)cc1 ZINC000032900678 556529815 /nfs/dbraw/zinc/52/98/15/556529815.db2.gz QVPQTYDPYCGFOS-XMMPIXPASA-N 1 1 442.003 5.311 50 0 IKAAMO COc1ccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1Br ZINC000032903624 556539950 /nfs/dbraw/zinc/53/99/50/556539950.db2.gz QDJSLGWUQFMIKL-UHFFFAOYSA-N 1 1 431.374 5.475 50 0 IKAAMO C[C@@H](NC(=O)C[NH2+]C(c1cccs1)c1cccs1)c1ccc(Br)cc1 ZINC000072308150 556564048 /nfs/dbraw/zinc/56/40/48/556564048.db2.gz HSVWUCVZJVWMIG-CYBMUJFWSA-N 1 1 435.412 5.129 50 0 IKAAMO Cc1c(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)sc2nc(C3CC3)nc(C)c12 ZINC000032908104 556564154 /nfs/dbraw/zinc/56/41/54/556564154.db2.gz VKODEJGXUGYXRM-UHFFFAOYSA-N 1 1 448.636 6.202 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000015946365 556567465 /nfs/dbraw/zinc/56/74/65/556567465.db2.gz GCEMVDDEIAMELI-QFIPXVFZSA-N 1 1 447.560 5.163 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)c(OC)c2)N3)C1 ZINC000016193288 556589033 /nfs/dbraw/zinc/58/90/33/556589033.db2.gz UJRKDSHUDUJGIJ-QHCPKHFHSA-N 1 1 449.576 5.143 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)N3)C1 ZINC000016193291 556589255 /nfs/dbraw/zinc/58/92/55/556589255.db2.gz UJRKDSHUDUJGIJ-HSZRJFAPSA-N 1 1 449.576 5.143 50 0 IKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2Cl)CC1 ZINC000016319773 556600161 /nfs/dbraw/zinc/60/01/61/556600161.db2.gz BEWLWHDKMJBDEK-UHFFFAOYSA-N 1 1 444.362 5.648 50 0 IKAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000016383757 556604025 /nfs/dbraw/zinc/60/40/25/556604025.db2.gz OEWQPOBBISIUCT-UHFFFAOYSA-N 1 1 434.392 5.602 50 0 IKAAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546913 556613723 /nfs/dbraw/zinc/61/37/23/556613723.db2.gz LETUBIIMOOANBF-JOCHJYFZSA-N 1 1 433.533 5.815 50 0 IKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546899 556613727 /nfs/dbraw/zinc/61/37/27/556613727.db2.gz WZGNUYXDTPXDFE-QFIPXVFZSA-N 1 1 433.533 5.815 50 0 IKAAMO Cc1cc[nH+]c(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)c1 ZINC000038547398 556613918 /nfs/dbraw/zinc/61/39/18/556613918.db2.gz AVZSLVDLFRGVAX-QHCPKHFHSA-N 1 1 444.560 5.772 50 0 IKAAMO COc1ccccc1[C@@H](Nc1cccc(C)[nH+]1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546924 556614000 /nfs/dbraw/zinc/61/40/00/556614000.db2.gz DEQHHHBVSVIHQZ-JOCHJYFZSA-N 1 1 433.533 5.815 50 0 IKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546957 556614009 /nfs/dbraw/zinc/61/40/09/556614009.db2.gz NDNVVWGLXFQNER-NRFANRHFSA-N 1 1 437.952 6.460 50 0 IKAAMO COc1ccccc1[C@@H](Nc1cccc(C)[nH+]1)c1cc(C)sc1NC(=O)c1ccccc1 ZINC000038550997 556614342 /nfs/dbraw/zinc/61/43/42/556614342.db2.gz QLRWMAYSUAZQJJ-XMMPIXPASA-N 1 1 443.572 6.222 50 0 IKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000038551019 556614714 /nfs/dbraw/zinc/61/47/14/556614714.db2.gz ZXMSIUHKFRCLHH-QHCPKHFHSA-N 1 1 431.536 6.353 50 0 IKAAMO Fc1ccc(OC2=CC[N@@H+](CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000039281602 556627691 /nfs/dbraw/zinc/62/76/91/556627691.db2.gz ORAFXRPIMNAPTG-UHFFFAOYSA-N 1 1 438.493 6.301 50 0 IKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000005055945 556627805 /nfs/dbraw/zinc/62/78/05/556627805.db2.gz MMSRMUUDBVMILG-DEOSSOPVSA-N 1 1 431.580 5.049 50 0 IKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000005056191 556628014 /nfs/dbraw/zinc/62/80/14/556628014.db2.gz AFCDIWFPIZGVAJ-LJQANCHMSA-N 1 1 429.992 5.354 50 0 IKAAMO O=C(c1ccccc1)N(C[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000247961769 556650718 /nfs/dbraw/zinc/65/07/18/556650718.db2.gz XTXXUZNVFNJAAJ-LSYYVWMOSA-N 1 1 441.619 5.705 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1O ZINC000042995763 556660679 /nfs/dbraw/zinc/66/06/79/556660679.db2.gz GOSLXGGIPJMYSR-QGZVFWFLSA-N 1 1 431.458 5.189 50 0 IKAAMO Clc1ccc(Oc2cccc(CN3CC[N@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000043164409 556661066 /nfs/dbraw/zinc/66/10/66/556661066.db2.gz CAUUZMHTQOKFAB-FTJBHMTQSA-N 1 1 425.016 6.361 50 0 IKAAMO O=C(/C=C/c1c(F)cccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017099304 556664502 /nfs/dbraw/zinc/66/45/02/556664502.db2.gz QPAFKBVURNAIMD-CCEZHUSRSA-N 1 1 434.942 5.426 50 0 IKAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000248260198 556677625 /nfs/dbraw/zinc/67/76/25/556677625.db2.gz VUAJCQXHVVSRPJ-DHLKQENFSA-N 1 1 440.628 5.261 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025212 556699327 /nfs/dbraw/zinc/69/93/27/556699327.db2.gz IPODMYQPTIZTQE-IBGZPJMESA-N 1 1 447.558 5.021 50 0 IKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@@H](c3nccs3)C3CC3)c2c1C ZINC000078903345 556736230 /nfs/dbraw/zinc/73/62/30/556736230.db2.gz UVHBJHWATQVZOX-LJQANCHMSA-N 1 1 427.643 5.560 50 0 IKAAMO CCO[C@@H]1C[C@H]([NH2+]Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C12CCCCC2 ZINC000078989961 556736695 /nfs/dbraw/zinc/73/66/95/556736695.db2.gz IWTVFJOUHWPWNG-LEWJYISDSA-N 1 1 448.032 5.699 50 0 IKAAMO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000055526914 556741643 /nfs/dbraw/zinc/74/16/43/556741643.db2.gz USDAPTBVPPHYDH-UHFFFAOYSA-N 1 1 449.982 5.313 50 0 IKAAMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1Cl ZINC000055545143 556741825 /nfs/dbraw/zinc/74/18/25/556741825.db2.gz BDDFVXJILJQYCK-UHFFFAOYSA-N 1 1 437.946 5.362 50 0 IKAAMO Cc1cc(C)cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000055539406 556741941 /nfs/dbraw/zinc/74/19/41/556741941.db2.gz BVYOEVRMLGSHCB-UHFFFAOYSA-N 1 1 433.983 5.531 50 0 IKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)Nc1cccc(Cl)c1 ZINC000055554096 556742231 /nfs/dbraw/zinc/74/22/31/556742231.db2.gz JDXMKFRERTZFBZ-UHFFFAOYSA-N 1 1 438.934 5.445 50 0 IKAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)cc2)cc1 ZINC000058169681 556767725 /nfs/dbraw/zinc/76/77/25/556767725.db2.gz VJLXNBPWOCOYHR-QHCPKHFHSA-N 1 1 443.572 5.894 50 0 IKAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)cc2)cc1 ZINC000058169681 556767729 /nfs/dbraw/zinc/76/77/29/556767729.db2.gz VJLXNBPWOCOYHR-QHCPKHFHSA-N 1 1 443.572 5.894 50 0 IKAAMO CC(C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000058170518 556767936 /nfs/dbraw/zinc/76/79/36/556767936.db2.gz MDOCNGHVYVKMOT-VWLOTQADSA-N 1 1 447.604 5.081 50 0 IKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CC=C(c3ccccc3)CC2)cc1Cl ZINC000058219024 556773284 /nfs/dbraw/zinc/77/32/84/556773284.db2.gz ODRMWOHSTVNXOY-VWLOTQADSA-N 1 1 432.951 5.818 50 0 IKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CC=C(c3ccccc3)CC2)cc1Cl ZINC000058219024 556773287 /nfs/dbraw/zinc/77/32/87/556773287.db2.gz ODRMWOHSTVNXOY-VWLOTQADSA-N 1 1 432.951 5.818 50 0 IKAAMO CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058268050 556776622 /nfs/dbraw/zinc/77/66/22/556776622.db2.gz TVXJLUHLHGEDOK-HXUWFJFHSA-N 1 1 433.518 5.021 50 0 IKAAMO CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058268050 556776627 /nfs/dbraw/zinc/77/66/27/556776627.db2.gz TVXJLUHLHGEDOK-HXUWFJFHSA-N 1 1 433.518 5.021 50 0 IKAAMO CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058268050 556776630 /nfs/dbraw/zinc/77/66/30/556776630.db2.gz TVXJLUHLHGEDOK-HXUWFJFHSA-N 1 1 433.518 5.021 50 0 IKAAMO CC(=O)c1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cs1 ZINC000064143417 556823056 /nfs/dbraw/zinc/82/30/56/556823056.db2.gz LPPZCECTZLGPFM-JOCHJYFZSA-N 1 1 425.642 5.393 50 0 IKAAMO COc1ccc(CC[N@@H+](C)[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)cc1OC ZINC000034362915 556823345 /nfs/dbraw/zinc/82/33/45/556823345.db2.gz UAICRBQQFGDXAR-NRFANRHFSA-N 1 1 440.008 6.280 50 0 IKAAMO CN(C)c1ccc(C=[NH+]Nc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCCC4)cc1 ZINC000034389105 556826662 /nfs/dbraw/zinc/82/66/62/556826662.db2.gz IGNIFCVXTVNJLV-UHFFFAOYSA-N 1 1 449.624 5.354 50 0 IKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720527 556876387 /nfs/dbraw/zinc/87/63/87/556876387.db2.gz IQHILWKENYEQEE-UHFFFAOYSA-N 1 1 425.359 5.541 50 0 IKAAMO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019721002 556876426 /nfs/dbraw/zinc/87/64/26/556876426.db2.gz GQSVKMYYHWBWKL-UHFFFAOYSA-N 1 1 425.359 5.541 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261085 556898347 /nfs/dbraw/zinc/89/83/47/556898347.db2.gz FEPRFOIARAKWRO-LJQANCHMSA-N 1 1 447.558 5.021 50 0 IKAAMO O=C(c1ccc(OC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)cc1)N1CCCCC1 ZINC000019800412 556917371 /nfs/dbraw/zinc/91/73/71/556917371.db2.gz PAJOEQQDZLYEFX-UHFFFAOYSA-N 1 1 430.951 5.149 50 0 IKAAMO O=C(c1cncc(-c2cccs2)c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835183 556928102 /nfs/dbraw/zinc/92/81/02/556928102.db2.gz HZFRSLPQAAISFT-UHFFFAOYSA-N 1 1 437.568 5.338 50 0 IKAAMO CCc1cc([C@@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880702 556937090 /nfs/dbraw/zinc/93/70/90/556937090.db2.gz MJAQOJALZGXRLN-HSZRJFAPSA-N 1 1 437.584 5.039 50 0 IKAAMO CCC[N@@H+](CC1CC1)[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000019890053 556938892 /nfs/dbraw/zinc/93/88/92/556938892.db2.gz FMWUSZZVKQEKSI-OAQYLSRUSA-N 1 1 433.577 5.026 50 0 IKAAMO Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000019897859 556940851 /nfs/dbraw/zinc/94/08/51/556940851.db2.gz ZGGXVPBFIYZNBO-CVDCTZTESA-N 1 1 444.556 5.011 50 0 IKAAMO Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000019897861 556940975 /nfs/dbraw/zinc/94/09/75/556940975.db2.gz ZGGXVPBFIYZNBO-WMZHIEFXSA-N 1 1 444.556 5.011 50 0 IKAAMO Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000019897862 556941001 /nfs/dbraw/zinc/94/10/01/556941001.db2.gz ZGGXVPBFIYZNBO-AUSIDOKSSA-N 1 1 444.556 5.011 50 0 IKAAMO CC(C)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019939878 556953285 /nfs/dbraw/zinc/95/32/85/556953285.db2.gz ARKAFNZJIJKQLP-UHFFFAOYSA-N 1 1 428.576 5.123 50 0 IKAAMO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc1CC2 ZINC000033266759 556977969 /nfs/dbraw/zinc/97/79/69/556977969.db2.gz JTSXWFJUTIWCKJ-GOSISDBHSA-N 1 1 448.636 5.002 50 0 IKAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000020149239 556990785 /nfs/dbraw/zinc/99/07/85/556990785.db2.gz SBPTYAHTDGHEJF-NRFANRHFSA-N 1 1 445.563 5.277 50 0 IKAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc4c(cccc4NC(C)=O)n3)C2)cc1 ZINC000020166719 556994054 /nfs/dbraw/zinc/99/40/54/556994054.db2.gz BAOHHHPXTCOJRR-LJQANCHMSA-N 1 1 433.577 5.010 50 0 IKAAMO CSc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)cn1 ZINC000020212550 556998907 /nfs/dbraw/zinc/99/89/07/556998907.db2.gz AJPZGOMKEAIFOY-UHFFFAOYSA-N 1 1 432.593 5.025 50 0 IKAAMO CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1Cl)C[N@@H+](C)CC3 ZINC000020328632 557008110 /nfs/dbraw/zinc/00/81/10/557008110.db2.gz SJWBZHSVVNOCEB-UHFFFAOYSA-N 1 1 440.421 5.065 50 0 IKAAMO CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1Cl)C[N@H+](C)CC3 ZINC000020328632 557008114 /nfs/dbraw/zinc/00/81/14/557008114.db2.gz SJWBZHSVVNOCEB-UHFFFAOYSA-N 1 1 440.421 5.065 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1C ZINC000020351470 557009091 /nfs/dbraw/zinc/00/90/91/557009091.db2.gz CUUYCJIZUVBXMH-SFHVURJKSA-N 1 1 447.535 5.496 50 0 IKAAMO OC(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000020421680 557015066 /nfs/dbraw/zinc/01/50/66/557015066.db2.gz MIWSTYFKHGVULN-UHFFFAOYSA-N 1 1 448.610 5.330 50 0 IKAAMO Cc1cccc(N[C@H](c2ccsc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1 ZINC000043220776 557023403 /nfs/dbraw/zinc/02/34/03/557023403.db2.gz RRJZFMCSUOIQEL-JOCHJYFZSA-N 1 1 449.601 6.439 50 0 IKAAMO CCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032540 557025053 /nfs/dbraw/zinc/02/50/53/557025053.db2.gz MAHQELQUGTYEFY-UHFFFAOYSA-N 1 1 432.593 5.039 50 0 IKAAMO CCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032540 557025055 /nfs/dbraw/zinc/02/50/55/557025055.db2.gz MAHQELQUGTYEFY-UHFFFAOYSA-N 1 1 432.593 5.039 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032524 557025123 /nfs/dbraw/zinc/02/51/23/557025123.db2.gz BWLPXCLCBKQIMK-UHFFFAOYSA-N 1 1 432.593 5.354 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000017288798 557045631 /nfs/dbraw/zinc/04/56/31/557045631.db2.gz AIPNKSNMEXCKPX-UHFFFAOYSA-N 1 1 425.604 5.717 50 0 IKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000017288798 557045634 /nfs/dbraw/zinc/04/56/34/557045634.db2.gz AIPNKSNMEXCKPX-UHFFFAOYSA-N 1 1 425.604 5.717 50 0 IKAAMO O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000048343446 557071264 /nfs/dbraw/zinc/07/12/64/557071264.db2.gz JMSBPJXVSNBOCI-NRFANRHFSA-N 1 1 428.536 5.181 50 0 IKAAMO Cc1cccc(CN(Cn2nc([C@H](C)[NH+](C)C)n(-c3ccc(F)cc3)c2=S)C2CC2)c1 ZINC000048354144 557072232 /nfs/dbraw/zinc/07/22/32/557072232.db2.gz WXLLETMEJISFCN-SFHVURJKSA-N 1 1 439.604 5.096 50 0 IKAAMO FC(F)(F)c1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5[nH]4)CC3)n2)cc1 ZINC000023251681 557078672 /nfs/dbraw/zinc/07/86/72/557078672.db2.gz RZXXASCXJJZBRX-UHFFFAOYSA-N 1 1 427.430 5.011 50 0 IKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4ccc(F)cc4)ccc3[nH+]2)cc1 ZINC000033310108 557093208 /nfs/dbraw/zinc/09/32/08/557093208.db2.gz IJMPUBXYAMVXRP-UHFFFAOYSA-N 1 1 441.506 5.438 50 0 IKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4ccccc4C)ccc3[nH+]2)cc1 ZINC000033310115 557093353 /nfs/dbraw/zinc/09/33/53/557093353.db2.gz QWXZAIHFWGJZBB-UHFFFAOYSA-N 1 1 437.543 5.608 50 0 IKAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016246772 557147714 /nfs/dbraw/zinc/14/77/14/557147714.db2.gz PYGXDHNUEDDHOA-UHFFFAOYSA-N 1 1 439.481 5.645 50 0 IKAAMO Fc1ccc(OC2=CC[N@@H+](C[C@@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 ZINC000095918259 557161726 /nfs/dbraw/zinc/16/17/26/557161726.db2.gz FYZQRYJEDDUFJB-AREMUKBSSA-N 1 1 431.507 5.111 50 0 IKAAMO CCOc1ccccc1NC(=O)[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1ccccc1 ZINC000024843409 557168283 /nfs/dbraw/zinc/16/82/83/557168283.db2.gz OYOMQARXXLVTDW-SANMLTNESA-N 1 1 429.564 5.868 50 0 IKAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc32)CC1 ZINC000025514993 557212581 /nfs/dbraw/zinc/21/25/81/557212581.db2.gz AVMFCVFHSHMWAI-UHFFFAOYSA-N 1 1 434.754 5.250 50 0 IKAAMO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023315677 557214671 /nfs/dbraw/zinc/21/46/71/557214671.db2.gz UGZNPKSIWGMDLV-GOSISDBHSA-N 1 1 439.003 5.637 50 0 IKAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000025575472 557215645 /nfs/dbraw/zinc/21/56/45/557215645.db2.gz LJSOACZAHXWTPC-GOTSBHOMSA-N 1 1 447.325 5.798 50 0 IKAAMO O=C(c1sccc1-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025748048 557224279 /nfs/dbraw/zinc/22/42/79/557224279.db2.gz VUEXDFWQOJHNDQ-UHFFFAOYSA-N 1 1 438.596 5.963 50 0 IKAAMO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)N1NC=NC1=[NH+]2 ZINC000025783757 557226106 /nfs/dbraw/zinc/22/61/06/557226106.db2.gz FQYHPBCXTOWINF-XZOQPEGZSA-N 1 1 430.870 5.283 50 0 IKAAMO C[C@@H](c1nn(CN2CCC[C@@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000026240790 557237781 /nfs/dbraw/zinc/23/77/81/557237781.db2.gz JIXVFDDGRDNDAW-HRAATJIYSA-N 1 1 443.567 5.099 50 0 IKAAMO Nc1nc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2sc3c(c21)CCCC3 ZINC000027354662 557260874 /nfs/dbraw/zinc/26/08/74/557260874.db2.gz MUYXFWVHTJIZCJ-UHFFFAOYSA-N 1 1 435.622 5.142 50 0 IKAAMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)cc1Cl ZINC000012843151 557262497 /nfs/dbraw/zinc/26/24/97/557262497.db2.gz YISLDXQGRCPAHH-UHFFFAOYSA-N 1 1 437.946 5.362 50 0 IKAAMO C[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000101084931 557282521 /nfs/dbraw/zinc/28/25/21/557282521.db2.gz YSOKTNCRCPDOCA-GADYRWAYSA-N 1 1 427.673 5.162 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000023332390 557344445 /nfs/dbraw/zinc/34/44/45/557344445.db2.gz FSSXBKMMLFPUPQ-XMMPIXPASA-N 1 1 439.386 5.849 50 0 IKAAMO Cc1oc(C(C)(C)C)cc1C(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023426681 557353768 /nfs/dbraw/zinc/35/37/68/557353768.db2.gz VCHIIEJDFKNHJT-UHFFFAOYSA-N 1 1 442.603 5.532 50 0 IKAAMO COc1ccc(OC)c(-c2cccc(-c3nc(C[N@H+]4CC[C@@H]5CCCC[C@@H]5C4)cs3)c2)c1 ZINC000023442505 557358346 /nfs/dbraw/zinc/35/83/46/557358346.db2.gz XEFQBYMJDPUSMO-SIKLNZKXSA-N 1 1 448.632 6.506 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3csc4ccccc34)CC2)cc1 ZINC000023455686 557362411 /nfs/dbraw/zinc/36/24/11/557362411.db2.gz FQPBBLNBOVWGCU-SANMLTNESA-N 1 1 426.585 5.757 50 0 IKAAMO Cc1cccc(C)c1-n1nnnc1C1([NH+](Cc2ccccc2)Cc2ccccc2)CCCC1 ZINC000102932670 557412999 /nfs/dbraw/zinc/41/29/99/557412999.db2.gz JYUODMYLZAWUMS-UHFFFAOYSA-N 1 1 437.591 5.751 50 0 IKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NC4CC4)cc3[C@@H]2c2ccccc2)c1 ZINC000105022701 557473074 /nfs/dbraw/zinc/47/30/74/557473074.db2.gz ACMDUCRFEHHFLQ-PIKZIKFNSA-N 1 1 440.587 5.189 50 0 IKAAMO Cc1cccc(C(=O)N(C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000105042259 557473523 /nfs/dbraw/zinc/47/35/23/557473523.db2.gz PVTGCPAMFRJUOW-GJZUVCINSA-N 1 1 432.539 5.248 50 0 IKAAMO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000106916156 557533702 /nfs/dbraw/zinc/53/37/02/557533702.db2.gz MCJLBIKREMNEHK-CSMYWGQOSA-N 1 1 425.413 5.037 50 0 IKAAMO Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843630 557811303 /nfs/dbraw/zinc/81/13/03/557811303.db2.gz AJWLGUNRLUABCH-GOTSBHOMSA-N 1 1 430.870 5.283 50 0 IKAAMO COC(=O)c1ccc(C[N@@H+]2CCOc3c(cc(-c4ccc(SC)cc4)cc3OC)C2)cc1 ZINC000014994140 557838475 /nfs/dbraw/zinc/83/84/75/557838475.db2.gz IVUPBSIBALCWFI-UHFFFAOYSA-N 1 1 449.572 5.265 50 0 IKAAMO COC(=O)c1ccc(C[N@H+]2CCOc3c(cc(-c4ccc(SC)cc4)cc3OC)C2)cc1 ZINC000014994140 557838476 /nfs/dbraw/zinc/83/84/76/557838476.db2.gz IVUPBSIBALCWFI-UHFFFAOYSA-N 1 1 449.572 5.265 50 0 IKAAMO COc1ccc(NC(=O)[C@H]2CC[C@H](c3ccccc3)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669829 557848104 /nfs/dbraw/zinc/84/81/04/557848104.db2.gz PYMSULKAMRDHTH-BKMJKUGQSA-N 1 1 430.548 5.296 50 0 IKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000003182936 562932623 /nfs/dbraw/zinc/93/26/23/562932623.db2.gz ZLWQGNABQLEYHG-IGKIAQTJSA-N 1 1 448.570 5.296 50 0 IKAAMO C[N@H+]1CCCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc32)CC1 ZINC000003242569 562933248 /nfs/dbraw/zinc/93/32/48/562933248.db2.gz WQZLWZHPTWQNRV-UHFFFAOYSA-N 1 1 448.781 5.640 50 0 IKAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000003957627 562939978 /nfs/dbraw/zinc/93/99/78/562939978.db2.gz DSNQQLJMRBRUGG-UHFFFAOYSA-N 1 1 427.564 5.230 50 0 IKAAMO CCOc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590211 562951564 /nfs/dbraw/zinc/95/15/64/562951564.db2.gz TYDRVVYALGVBST-SFHVURJKSA-N 1 1 438.597 5.198 50 0 IKAAMO CC[N@@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)Cc1ccccc1 ZINC000008599178 562954635 /nfs/dbraw/zinc/95/46/35/562954635.db2.gz IGVRLFUUUOFTKW-UHFFFAOYSA-N 1 1 437.996 5.745 50 0 IKAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc2ccccc2o1 ZINC000012026942 562980438 /nfs/dbraw/zinc/98/04/38/562980438.db2.gz LAWLMWXCXTWFNM-IBGZPJMESA-N 1 1 444.497 5.478 50 0 IKAAMO O=C(CCN1CC[N@H+]2CCCC[C@@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019370551 563022755 /nfs/dbraw/zinc/02/27/55/563022755.db2.gz UDGRQZRWGPZOAJ-GOSISDBHSA-N 1 1 428.001 5.030 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)[nH+]2)c2cccs2)c1C ZINC000038547540 563097969 /nfs/dbraw/zinc/09/79/69/563097969.db2.gz GBCAQCPCCOUMDX-JOCHJYFZSA-N 1 1 433.602 6.584 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000969895 568647245 /nfs/dbraw/zinc/64/72/45/568647245.db2.gz UGBBWRMDBUNWAC-RPWUZVMVSA-N 1 1 444.897 5.592 50 0 IKAAMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)[C@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000000974408 568647668 /nfs/dbraw/zinc/64/76/68/568647668.db2.gz ZOLFQQCIFXIQCB-DEOSSOPVSA-N 1 1 428.919 5.141 50 0 IKAAMO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c1 ZINC000015669111 568801744 /nfs/dbraw/zinc/80/17/44/568801744.db2.gz XUOARWAZTWQIFS-UHFFFAOYSA-N 1 1 434.584 5.009 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678367 568804724 /nfs/dbraw/zinc/80/47/24/568804724.db2.gz YNWKXNCFPZKBBO-DEOSSOPVSA-N 1 1 449.614 5.532 50 0 IKAAMO COc1cccc(C[N@@H+](C[C@H](O)COc2ccccc2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000006051579 568819866 /nfs/dbraw/zinc/81/98/66/568819866.db2.gz DTGUXZWHHOWIRO-IPOSCIHWSA-N 1 1 435.608 5.214 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000019703245 568836869 /nfs/dbraw/zinc/83/68/69/568836869.db2.gz ZMUNWOYASSHYBX-FCHUYYIVSA-N 1 1 425.370 5.139 50 0 biogenic IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000019703245 568836870 /nfs/dbraw/zinc/83/68/70/568836870.db2.gz ZMUNWOYASSHYBX-FCHUYYIVSA-N 1 1 425.370 5.139 50 0 biogenic IKAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000106679549 568839176 /nfs/dbraw/zinc/83/91/76/568839176.db2.gz PVSXJQQYPSBHFU-RTBURBONSA-N 1 1 439.987 5.866 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000106679549 568839177 /nfs/dbraw/zinc/83/91/77/568839177.db2.gz PVSXJQQYPSBHFU-RTBURBONSA-N 1 1 439.987 5.866 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccccc3C)oc1C)[C@H]2c1ccccc1 ZINC000015864862 568850276 /nfs/dbraw/zinc/85/02/76/568850276.db2.gz RSKCCVXMDUHQSA-SANMLTNESA-N 1 1 442.628 7.038 50 0 IKAAMO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2cc(C)ccc12 ZINC000016627606 568926748 /nfs/dbraw/zinc/92/67/48/568926748.db2.gz CCHMGOGYSKWUBG-UHFFFAOYSA-N 1 1 433.335 5.259 50 0 IKAAMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2cc(C)ccc12 ZINC000016627606 568926749 /nfs/dbraw/zinc/92/67/49/568926749.db2.gz CCHMGOGYSKWUBG-UHFFFAOYSA-N 1 1 433.335 5.259 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](O)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000019703247 568930631 /nfs/dbraw/zinc/93/06/31/568930631.db2.gz ZMUNWOYASSHYBX-VXKWHMMOSA-N 1 1 425.370 5.139 50 0 biogenic IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)[C@H]3CCC1 ZINC000019703247 568930633 /nfs/dbraw/zinc/93/06/33/568930633.db2.gz ZMUNWOYASSHYBX-VXKWHMMOSA-N 1 1 425.370 5.139 50 0 biogenic IKAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065623 568945322 /nfs/dbraw/zinc/94/53/22/568945322.db2.gz YWWNIAIRIWKJDM-FQEVSTJZSA-N 1 1 437.559 5.407 50 0 IKAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065623 568945323 /nfs/dbraw/zinc/94/53/23/568945323.db2.gz YWWNIAIRIWKJDM-FQEVSTJZSA-N 1 1 437.559 5.407 50 0 IKAAMO Cc1cccc(N[C@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1 ZINC000064790097 568957520 /nfs/dbraw/zinc/95/75/20/568957520.db2.gz OBUAFTKVUWQOPI-JOCHJYFZSA-N 1 1 449.601 6.439 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801663 568961487 /nfs/dbraw/zinc/96/14/87/568961487.db2.gz OVRFUIMTMAFFJA-UHFFFAOYSA-N 1 1 444.583 6.534 50 0 IKAAMO COCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccs1 ZINC000036145503 568961701 /nfs/dbraw/zinc/96/17/01/568961701.db2.gz FQOQUBXMHCWXDU-UHFFFAOYSA-N 1 1 433.573 5.274 50 0 IKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccs1 ZINC000036145503 568961703 /nfs/dbraw/zinc/96/17/03/568961703.db2.gz FQOQUBXMHCWXDU-UHFFFAOYSA-N 1 1 433.573 5.274 50 0 IKAAMO CC(C)C[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1F ZINC000036167889 568968560 /nfs/dbraw/zinc/96/85/60/568968560.db2.gz YMXXTFVORFBUPE-UHFFFAOYSA-N 1 1 443.562 6.361 50 0 IKAAMO CCC[N@H+](Cc1ccc(C(O)(C=C(C)C)C=C(C)C)o1)Cc1cccc(OC)c1OC ZINC000036202410 568972478 /nfs/dbraw/zinc/97/24/78/568972478.db2.gz NPXQTIFSYCNLPC-UHFFFAOYSA-N 1 1 427.585 5.829 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(O)(C=C(C)C)C=C(C)C)o1)Cc1cccc(OC)c1OC ZINC000036202410 568972479 /nfs/dbraw/zinc/97/24/79/568972479.db2.gz NPXQTIFSYCNLPC-UHFFFAOYSA-N 1 1 427.585 5.829 50 0 IKAAMO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)c1 ZINC000169679928 568990537 /nfs/dbraw/zinc/99/05/37/568990537.db2.gz BFMPFGNAXIQXGE-UKILVPOCSA-N 1 1 442.594 5.629 50 0 IKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccccc3C)C2)oc1C ZINC000169677941 568990560 /nfs/dbraw/zinc/99/05/60/568990560.db2.gz TXZOYSCXCOPWJM-LSYYVWMOSA-N 1 1 444.619 5.971 50 0 IKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccccc2)C(C)C)[C@@H](c2ccc(C)cc2)C1 ZINC000169681696 568992580 /nfs/dbraw/zinc/99/25/80/568992580.db2.gz BWNFSHOBSPVFIE-IZZNHLLZSA-N 1 1 446.660 6.131 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](C)O ZINC000036301670 568993154 /nfs/dbraw/zinc/99/31/54/568993154.db2.gz LAYLNUJEASYTKY-QGZVFWFLSA-N 1 1 443.975 5.228 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301825 568993941 /nfs/dbraw/zinc/99/39/41/568993941.db2.gz SNQPJPYBKFPKEF-JOCHJYFZSA-N 1 1 439.987 5.609 50 0 IKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303900 568994307 /nfs/dbraw/zinc/99/43/07/568994307.db2.gz HYDAXISBYPZFBV-QFIPXVFZSA-N 1 1 437.584 5.355 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304167 568994319 /nfs/dbraw/zinc/99/43/19/568994319.db2.gz XWCNFIUOXHTVNS-OAQYLSRUSA-N 1 1 443.538 5.624 50 0 IKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304165 568994332 /nfs/dbraw/zinc/99/43/32/568994332.db2.gz XWCNFIUOXHTVNS-NRFANRHFSA-N 1 1 443.538 5.624 50 0 IKAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036304996 568994731 /nfs/dbraw/zinc/99/47/31/568994731.db2.gz KOAUZMZLSVZFIS-LJQANCHMSA-N 1 1 425.960 5.268 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305221 568994906 /nfs/dbraw/zinc/99/49/06/568994906.db2.gz LOJBANWOJCUDGX-NRFANRHFSA-N 1 1 439.987 5.516 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305040 568994947 /nfs/dbraw/zinc/99/49/47/568994947.db2.gz DWQWFVGXAHDWLE-FQEVSTJZSA-N 1 1 439.987 5.516 50 0 IKAAMO C[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305051 568995039 /nfs/dbraw/zinc/99/50/39/568995039.db2.gz PTQLWNUSDOPKFN-KRWDZBQOSA-N 1 1 425.960 5.126 50 0 IKAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000036306159 568995430 /nfs/dbraw/zinc/99/54/30/568995430.db2.gz KBCMZDMWWUAEON-TZIWHRDSSA-N 1 1 437.584 5.259 50 0 IKAAMO 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O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000196307824 569207868 /nfs/dbraw/zinc/20/78/68/569207868.db2.gz BIJWIKWIRLDHCU-UHFFFAOYSA-N 1 1 449.392 5.039 50 0 IKAAMO C[C@@H]1CC[C@@]2(C)[C@H]3C[C@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@H](C)CC[C@@H]4[C@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000252640278 569208604 /nfs/dbraw/zinc/20/86/04/569208604.db2.gz YSOKTNCRCPDOCA-BGRULFNMSA-N 1 1 427.673 5.162 50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000002246491 569214341 /nfs/dbraw/zinc/21/43/41/569214341.db2.gz ACSNALGVCSBTNO-LEWJYISDSA-N 1 1 436.899 5.345 50 0 IKAAMO Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002255050 569216744 /nfs/dbraw/zinc/21/67/44/569216744.db2.gz UPLPLZCOZIBLIY-DNQXCXABSA-N 1 1 444.897 5.592 50 0 IKAAMO Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002255048 569216823 /nfs/dbraw/zinc/21/68/23/569216823.db2.gz UPLPLZCOZIBLIY-BJKOFHAPSA-N 1 1 444.897 5.592 50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002256142 569216889 /nfs/dbraw/zinc/21/68/89/569216889.db2.gz LVQQGWHHVQFJNP-GOTSBHOMSA-N 1 1 430.870 5.283 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@H](C)C2 ZINC000239235613 569268723 /nfs/dbraw/zinc/26/87/23/569268723.db2.gz WHUDWKMLMXDFHW-JKSUJKDBSA-N 1 1 443.588 5.077 50 0 IKAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@H](C)C2 ZINC000239235613 569268724 /nfs/dbraw/zinc/26/87/24/569268724.db2.gz WHUDWKMLMXDFHW-JKSUJKDBSA-N 1 1 443.588 5.077 50 0 IKAAMO Cc1cccc(N2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]2C)c1 ZINC000241132817 569269072 /nfs/dbraw/zinc/26/90/72/569269072.db2.gz JLYCXJWRLSBINT-DHIUTWEWSA-N 1 1 443.591 5.112 50 0 IKAAMO Cc1cccc(N2CC[N@H+]([C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]2C)c1 ZINC000241132817 569269073 /nfs/dbraw/zinc/26/90/73/569269073.db2.gz JLYCXJWRLSBINT-DHIUTWEWSA-N 1 1 443.591 5.112 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3sccc3C)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000253388929 569272353 /nfs/dbraw/zinc/27/23/53/569272353.db2.gz REBILFASLJNVIA-LADGPHEKSA-N 1 1 442.669 5.421 50 0 IKAAMO CC[C@H](C)COC(=O)c1c(N)n(-c2ccc([NH+](CC)CC)cc2)c2nc3ccccc3nc12 ZINC000002375363 569289288 /nfs/dbraw/zinc/28/92/88/569289288.db2.gz LKDATXUJHDZDIC-KRWDZBQOSA-N 1 1 445.567 5.205 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369079 569314742 /nfs/dbraw/zinc/31/47/42/569314742.db2.gz PIWLFKBUABAZQF-NRFANRHFSA-N 1 1 439.003 5.128 50 0 IKAAMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@H]12 ZINC000078725993 569318704 /nfs/dbraw/zinc/31/87/04/569318704.db2.gz XLGCRVRNEPZDCK-KHDMTIDOSA-N 1 1 445.007 5.074 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000019880300 569331617 /nfs/dbraw/zinc/33/16/17/569331617.db2.gz NTZSYEBPJSABIX-OAQYLSRUSA-N 1 1 425.623 5.016 50 0 IKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(OC)c(Cl)c1 ZINC000020107869 569334421 /nfs/dbraw/zinc/33/44/21/569334421.db2.gz QXDXRARZNSESPB-UHFFFAOYSA-N 1 1 440.078 5.731 50 0 IKAAMO C[N@@H+](CCc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1)C1CC1 ZINC000095460073 569369538 /nfs/dbraw/zinc/36/95/38/569369538.db2.gz MRSFPHPAAQUCCI-UHFFFAOYSA-N 1 1 428.536 5.220 50 0 IKAAMO CCc1nc([C@H](C)NC(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000095460785 569369717 /nfs/dbraw/zinc/36/97/17/569369717.db2.gz IYDKMQODXPBXBZ-RXVVDRJESA-N 1 1 444.645 5.368 50 0 IKAAMO CC[C@H](NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460880 569369786 /nfs/dbraw/zinc/36/97/86/569369786.db2.gz SSZZUUQWLAQVBV-QFIPXVFZSA-N 1 1 442.567 5.718 50 0 IKAAMO Brc1ccccc1-c1nnc(C[N@H+]2CC=C(c3cncc4ccccc43)CC2)o1 ZINC000096012869 569380135 /nfs/dbraw/zinc/38/01/35/569380135.db2.gz HXRDVHXAIXXLPM-UHFFFAOYSA-N 1 1 447.336 5.337 50 0 IKAAMO Brc1ccccc1-c1nnc(C[N@@H+]2CC=C(c3cncc4ccccc43)CC2)o1 ZINC000096012869 569380137 /nfs/dbraw/zinc/38/01/37/569380137.db2.gz HXRDVHXAIXXLPM-UHFFFAOYSA-N 1 1 447.336 5.337 50 0 IKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)cc2)CC1 ZINC000096276156 569388549 /nfs/dbraw/zinc/38/85/49/569388549.db2.gz ICIMWFNJQOBRGE-IBGZPJMESA-N 1 1 430.379 5.161 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccc(C(F)(F)F)c3)[NH+]3CCCC3)no2)cc1 ZINC000334162267 569402154 /nfs/dbraw/zinc/40/21/54/569402154.db2.gz LNPZPSBHIQEDMY-OAQYLSRUSA-N 1 1 443.469 5.236 50 0 IKAAMO Cc1c(-c2ccc(C)cc2)nn2c1nc(C)cc2N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096766516 569402385 /nfs/dbraw/zinc/40/23/85/569402385.db2.gz GHWBVEVOKPHBHP-UHFFFAOYSA-N 1 1 445.998 5.297 50 0 IKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccc(Cl)c2)cc1 ZINC000002714006 569417881 /nfs/dbraw/zinc/41/78/81/569417881.db2.gz YWWCOECXXOHDHG-UHFFFAOYSA-N 1 1 428.898 6.492 50 0 IKAAMO O=C1CCCN1CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002715010 569417939 /nfs/dbraw/zinc/41/79/39/569417939.db2.gz BOBSZYXTOWRCAW-UHFFFAOYSA-N 1 1 445.954 5.165 50 0 IKAAMO Cc1nc(-c2ccc(C[NH2+][C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cs1 ZINC000057312434 569430781 /nfs/dbraw/zinc/43/07/81/569430781.db2.gz IETJKYJAJNQXBS-DEOSSOPVSA-N 1 1 447.629 6.266 50 0 IKAAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1Cl ZINC000057315267 569430995 /nfs/dbraw/zinc/43/09/95/569430995.db2.gz MOQHVSUZGPMNEC-HNNXBMFYSA-N 1 1 425.891 5.021 50 0 IKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCC2)Nc1ccccc1OC(F)F ZINC000057323005 569431178 /nfs/dbraw/zinc/43/11/78/569431178.db2.gz QYLXPAJZUZTEPQ-HSZRJFAPSA-N 1 1 442.531 5.546 50 0 IKAAMO COc1cccc(CN2C[C@@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000227049319 569431400 /nfs/dbraw/zinc/43/14/00/569431400.db2.gz OZQKILQMNRJXOJ-ZJSXRUAMSA-N 1 1 432.530 5.416 50 0 IKAAMO COc1cccc(CN2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000227049329 569431431 /nfs/dbraw/zinc/43/14/31/569431431.db2.gz OZQKILQMNRJXOJ-XUZZJYLKSA-N 1 1 432.530 5.416 50 0 IKAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000057364153 569432168 /nfs/dbraw/zinc/43/21/68/569432168.db2.gz RXUXDSIGOUTHTF-UHFFFAOYSA-N 1 1 435.527 5.257 50 0 IKAAMO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000002974925 569433531 /nfs/dbraw/zinc/43/35/31/569433531.db2.gz GGYIHUAHJDCRLH-NQIIRXRSSA-N 1 1 445.010 7.368 50 0 IKAAMO Cc1nn2c(nc(C[N@H+](Cc3c(F)cccc3Cl)[C@@H]3CCC[C@H](C)[C@H]3C)cc2=O)s1 ZINC000230094567 569436225 /nfs/dbraw/zinc/43/62/25/569436225.db2.gz NBVDQWMITURYPV-LRDNONRASA-N 1 1 448.995 5.079 50 0 IKAAMO Cc1nn2c(nc(C[N@@H+](Cc3c(F)cccc3Cl)[C@@H]3CCC[C@H](C)[C@H]3C)cc2=O)s1 ZINC000230094567 569436226 /nfs/dbraw/zinc/43/62/26/569436226.db2.gz NBVDQWMITURYPV-LRDNONRASA-N 1 1 448.995 5.079 50 0 IKAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(Sc2ccc(Cl)cc2)nc2ccccc21 ZINC000003039990 569438019 /nfs/dbraw/zinc/43/80/19/569438019.db2.gz PCGHNMAPJUYOFJ-UHFFFAOYSA-N 1 1 442.028 5.891 50 0 IKAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000057541858 569439565 /nfs/dbraw/zinc/43/95/65/569439565.db2.gz GZQOVTRWNODYQI-QKKBWIMNSA-N 1 1 432.948 5.564 50 0 IKAAMO C[N@@H+]1[C@H](c2ccccc2)SC2(c3ccccc3Sc3ccccc32)[C@@H]1c1ccccc1 ZINC000230213858 569440147 /nfs/dbraw/zinc/44/01/47/569440147.db2.gz RFLHEKITURKEQY-SVBPBHIXSA-N 1 1 437.633 7.514 50 0 IKAAMO C[N@H+]1[C@H](c2ccccc2)SC2(c3ccccc3Sc3ccccc32)[C@@H]1c1ccccc1 ZINC000230213858 569440148 /nfs/dbraw/zinc/44/01/48/569440148.db2.gz RFLHEKITURKEQY-SVBPBHIXSA-N 1 1 437.633 7.514 50 0 IKAAMO CN(Cc1ccccc1)c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21 ZINC000003357544 569447709 /nfs/dbraw/zinc/44/77/09/569447709.db2.gz BBMSLHBWZFTXAQ-UHFFFAOYSA-N 1 1 428.605 5.981 50 0 IKAAMO Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160626 569449201 /nfs/dbraw/zinc/44/92/01/569449201.db2.gz WEORTFXUPOBZQG-AREMUKBSSA-N 1 1 441.575 5.334 50 0 IKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000004099980 569458938 /nfs/dbraw/zinc/45/89/38/569458938.db2.gz INXGAHHQCIHNOR-QMGVEFKFSA-N 1 1 443.631 6.897 50 0 IKAAMO CC(C)Cc1[nH+]c2c(Br)cc(Br)cn2c1NC1CCCCC1 ZINC000004157470 569460574 /nfs/dbraw/zinc/46/05/74/569460574.db2.gz JAFHVIINIZPUDP-UHFFFAOYSA-N 1 1 429.200 5.802 50 0 IKAAMO CCc1cc([C@@H](c2ccc3c(c2)OCO3)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545943 569463314 /nfs/dbraw/zinc/46/33/14/569463314.db2.gz XOICEHIOLZCCCC-JOCHJYFZSA-N 1 1 438.549 5.460 50 0 IKAAMO COc1ccc(OC)c([C@@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)c1 ZINC000038545908 569463328 /nfs/dbraw/zinc/46/33/28/569463328.db2.gz FYYJAMPVPREDCC-QFIPXVFZSA-N 1 1 440.565 5.494 50 0 IKAAMO CCc1cc([C@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546449 569463542 /nfs/dbraw/zinc/46/35/42/569463542.db2.gz FPCURBIOIIGUAI-NRFANRHFSA-N 1 1 444.000 5.146 50 0 IKAAMO Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1 ZINC000038546509 569463547 /nfs/dbraw/zinc/46/35/47/569463547.db2.gz OSZAVWRHJSSPKN-DEOSSOPVSA-N 1 1 449.620 5.117 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2F)N2CC[NH+](C)CC2)c1C ZINC000038546741 569463690 /nfs/dbraw/zinc/46/36/90/569463690.db2.gz KLLVJCAKPJQWGP-NRFANRHFSA-N 1 1 443.613 5.155 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c1C ZINC000038547038 569463754 /nfs/dbraw/zinc/46/37/54/569463754.db2.gz DZUWJZNPGSWJDT-DEOSSOPVSA-N 1 1 445.563 6.661 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)cc[nH+]2)c2cccs2)c1C ZINC000038547537 569463822 /nfs/dbraw/zinc/46/38/22/569463822.db2.gz HZUMYJQCVUWHLG-QFIPXVFZSA-N 1 1 433.602 6.584 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547095 569463824 /nfs/dbraw/zinc/46/38/24/569463824.db2.gz QQSPUSPRLDGRJD-QHCPKHFHSA-N 1 1 447.560 6.069 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c1C ZINC000038547584 569463858 /nfs/dbraw/zinc/46/38/58/569463858.db2.gz LODMEEUIFHUEEM-QFIPXVFZSA-N 1 1 435.524 6.254 50 0 IKAAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)c1 ZINC000038547551 569463868 /nfs/dbraw/zinc/46/38/68/569463868.db2.gz PJBJTJHRIGWDNH-QHCPKHFHSA-N 1 1 447.560 6.124 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547772 569463872 /nfs/dbraw/zinc/46/38/72/569463872.db2.gz LQEGYBKGADQTCN-QFIPXVFZSA-N 1 1 435.524 6.200 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547744 569463878 /nfs/dbraw/zinc/46/38/78/569463878.db2.gz YWGWPYZPCMAIOW-HSZRJFAPSA-N 1 1 447.560 6.069 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547776 569463886 /nfs/dbraw/zinc/46/38/86/569463886.db2.gz WLSOMEUTLIYMPC-QFIPXVFZSA-N 1 1 435.524 6.200 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c1C ZINC000038547596 569463894 /nfs/dbraw/zinc/46/38/94/569463894.db2.gz UTUUWCAJVLWJMM-QFIPXVFZSA-N 1 1 435.524 6.254 50 0 IKAAMO COc1ccccc1[C@H](Nc1cc(C)cc[nH+]1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000038547553 569463908 /nfs/dbraw/zinc/46/39/08/569463908.db2.gz XENHQRXNQVSBMP-QHCPKHFHSA-N 1 1 447.560 6.124 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccc(C)cc2)c1C ZINC000038547628 569463912 /nfs/dbraw/zinc/46/39/12/569463912.db2.gz ZQIJUPIPUMPSHB-HSZRJFAPSA-N 1 1 431.561 6.424 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547784 569463916 /nfs/dbraw/zinc/46/39/16/569463916.db2.gz XQMAQOPGRGEBFT-QFIPXVFZSA-N 1 1 435.524 6.200 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c1C ZINC000038547576 569463922 /nfs/dbraw/zinc/46/39/22/569463922.db2.gz QXMOTJUXHHILCE-QFIPXVFZSA-N 1 1 435.524 6.254 50 0 IKAAMO O=C1N[C@@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722390 569471853 /nfs/dbraw/zinc/47/18/53/569471853.db2.gz PNOSBHMWSPWLBJ-HXUWFJFHSA-N 1 1 444.387 5.467 50 0 IKAAMO O=C1N[C@@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722390 569471854 /nfs/dbraw/zinc/47/18/54/569471854.db2.gz PNOSBHMWSPWLBJ-HXUWFJFHSA-N 1 1 444.387 5.467 50 0 IKAAMO O=C1N[C@@H](c2ccc3ccccc3c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722577 569471857 /nfs/dbraw/zinc/47/18/57/569471857.db2.gz NUTNAYUGESEVSS-XMMPIXPASA-N 1 1 425.557 5.314 50 0 IKAAMO O=C1N[C@@H](c2ccc3ccccc3c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722577 569471858 /nfs/dbraw/zinc/47/18/58/569471858.db2.gz NUTNAYUGESEVSS-XMMPIXPASA-N 1 1 425.557 5.314 50 0 IKAAMO CC(=O)Nc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1Sc1ccc(C)cc1 ZINC000008811502 569476570 /nfs/dbraw/zinc/47/65/70/569476570.db2.gz SAILRPPBBVAXNV-LJQANCHMSA-N 1 1 439.625 5.099 50 0 IKAAMO COc1ccc([C@H]2CCCCC[N@H+]2Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000008880977 569482858 /nfs/dbraw/zinc/48/28/58/569482858.db2.gz ONIIWURLKHRGIM-JOCHJYFZSA-N 1 1 444.535 5.826 50 0 IKAAMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000040033491 569483106 /nfs/dbraw/zinc/48/31/06/569483106.db2.gz MODKXLFNXCJTTB-RDJZCZTQSA-N 1 1 444.457 5.167 50 0 IKAAMO Cc1ccc(-c2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](C(C)C)C5)o2)cc1Cl ZINC000008923103 569486961 /nfs/dbraw/zinc/48/69/61/569486961.db2.gz UUGBGXKHRVSZFT-OAQYLSRUSA-N 1 1 441.984 6.165 50 0 IKAAMO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000040139324 569490801 /nfs/dbraw/zinc/49/08/01/569490801.db2.gz IEXZYJMPPPXKKR-NQIIRXRSSA-N 1 1 442.987 5.116 50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000009066033 569499887 /nfs/dbraw/zinc/49/98/87/569499887.db2.gz ZTXVXQYFQRBAAP-GOTSBHOMSA-N 1 1 430.870 5.283 50 0 IKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc1 ZINC000009087754 569500827 /nfs/dbraw/zinc/50/08/27/569500827.db2.gz KYVWHOUGNSMFTK-VCTRFXNDSA-N 1 1 444.575 5.155 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000245258140 569501655 /nfs/dbraw/zinc/50/16/55/569501655.db2.gz LAPRBDWKIGWNPR-LKUPVBHCSA-N 1 1 429.992 5.210 50 0 IKAAMO CCc1cccc2c([C@H](CC(=O)NCCC[N@H+]3CCCC[C@H]3C)c3cccc(F)c3)c[nH]c21 ZINC000245329671 569504095 /nfs/dbraw/zinc/50/40/95/569504095.db2.gz VKFYBNWQKVTINI-CJFMBICVSA-N 1 1 449.614 5.772 50 0 IKAAMO Cc1cccc(C(=O)N(C[C@@H]2C[N@@H+](Cc3ccco3)C[C@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000245343487 569504497 /nfs/dbraw/zinc/50/44/97/569504497.db2.gz PVTGCPAMFRJUOW-NVQXNPDNSA-N 1 1 432.539 5.248 50 0 IKAAMO Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(c4nc5ccccc5s4)CC3)c2)cs1 ZINC000009167724 569509110 /nfs/dbraw/zinc/50/91/10/569509110.db2.gz LMRHYFJTFCYKAV-UHFFFAOYSA-N 1 1 448.617 5.546 50 0 IKAAMO Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000009229127 569513719 /nfs/dbraw/zinc/51/37/19/569513719.db2.gz ZSAUWUGUFZJRAU-SFHVURJKSA-N 1 1 438.015 5.564 50 0 IKAAMO Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1 ZINC000009516677 569543506 /nfs/dbraw/zinc/54/35/06/569543506.db2.gz PIJPPFAFFBOTRW-AREMUKBSSA-N 1 1 441.575 5.091 50 0 IKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000009531301 569545127 /nfs/dbraw/zinc/54/51/27/569545127.db2.gz MUCKECRIZRAIKH-PZJWPPBQSA-N 1 1 440.591 6.723 50 0 IKAAMO CCCCN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000009531686 569545225 /nfs/dbraw/zinc/54/52/25/569545225.db2.gz CCLGGXSOBXGPSH-UHFFFAOYSA-N 1 1 435.369 6.086 50 0 IKAAMO C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000009595263 569550693 /nfs/dbraw/zinc/55/06/93/569550693.db2.gz DATLGXZREYEJHQ-UHFFFAOYSA-N 1 1 439.968 5.180 50 0 IKAAMO C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000009595263 569550694 /nfs/dbraw/zinc/55/06/94/569550694.db2.gz DATLGXZREYEJHQ-UHFFFAOYSA-N 1 1 439.968 5.180 50 0 IKAAMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(c2ccccc2)c2ccccc2)cc1 ZINC000009598489 569551009 /nfs/dbraw/zinc/55/10/09/569551009.db2.gz IQLIFNSBWQZMQR-UHFFFAOYSA-N 1 1 439.946 6.865 50 0 IKAAMO CCC1=Nc2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608085 569552078 /nfs/dbraw/zinc/55/20/78/569552078.db2.gz UMXFESLBKNMVOD-UHFFFAOYSA-N 1 1 449.664 6.375 50 0 IKAAMO CCCC1=Nc2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)ccc2Sc2ccc(C)cc21 ZINC000009608128 569552092 /nfs/dbraw/zinc/55/20/92/569552092.db2.gz KZSDSGQTWWXCQV-FQEVSTJZSA-N 1 1 449.664 6.375 50 0 IKAAMO CCCC1=Nc2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3CC)ccc2Sc2ccccc21 ZINC000009607970 569552120 /nfs/dbraw/zinc/55/21/20/569552120.db2.gz LGYHUJOLZJSDJW-OAQYLSRUSA-N 1 1 449.664 6.457 50 0 IKAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000009619939 569553431 /nfs/dbraw/zinc/55/34/31/569553431.db2.gz HRJJOWSSYLATPI-XMMPIXPASA-N 1 1 447.629 5.443 50 0 IKAAMO Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000009645469 569556136 /nfs/dbraw/zinc/55/61/36/569556136.db2.gz BNTJDQPYLKLDON-VWLOTQADSA-N 1 1 427.523 5.920 50 0 IKAAMO Cc1ccc(C)c(Nc2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3n2)c1 ZINC000009680774 569560166 /nfs/dbraw/zinc/56/01/66/569560166.db2.gz CDWAUNXVXDDJGO-OYRHEFFESA-N 1 1 444.623 5.693 50 0 IKAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000009789113 569568059 /nfs/dbraw/zinc/56/80/59/569568059.db2.gz ZUZNYDUVWDRAIB-VWLOTQADSA-N 1 1 446.595 5.362 50 0 IKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000009789113 569568060 /nfs/dbraw/zinc/56/80/60/569568060.db2.gz ZUZNYDUVWDRAIB-VWLOTQADSA-N 1 1 446.595 5.362 50 0 IKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1cccc(OC)c1 ZINC000009968673 569575895 /nfs/dbraw/zinc/57/58/95/569575895.db2.gz QFILAZDOFCAJFI-RYTSNQFKSA-N 1 1 443.631 6.897 50 0 IKAAMO Fc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000054290399 193930322 /nfs/dbraw/zinc/93/03/22/193930322.db2.gz RXPYBXFEFCZKCR-UHFFFAOYSA-N 1 1 438.959 5.473 50 0 IKAAMO C(=C/c1ccccc1)\C[NH+]1CCN(c2nc(-c3ccccc3)nc3c4ccccc4oc32)CC1 ZINC000009158927 533353605 /nfs/dbraw/zinc/35/36/05/533353605.db2.gz NTVGQKFJFIZTBB-FMIVXFBMSA-N 1 1 446.554 5.878 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000002715237 132256507 /nfs/dbraw/zinc/25/65/07/132256507.db2.gz KBLAWJVQNXOOKK-WOJBJXKFSA-N 1 1 426.564 5.969 50 0 IKAAMO Brc1ccc([C@@H]([NH2+]CCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021367006 518216064 /nfs/dbraw/zinc/21/60/64/518216064.db2.gz KYKSNCCSTPCWAJ-OAQYLSRUSA-N 1 1 434.337 5.421 50 0 IKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(Cl)c(Cl)c1 ZINC000035843764 519652490 /nfs/dbraw/zinc/65/24/90/519652490.db2.gz VYSQFZYHSBEZHD-UHFFFAOYSA-N 1 1 433.398 7.031 50 0 IKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035840693 519652631 /nfs/dbraw/zinc/65/26/31/519652631.db2.gz DSSFUSXNNQFGNJ-GDLZYMKVSA-N 1 1 446.679 6.286 50 0 IKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843575 519709735 /nfs/dbraw/zinc/70/97/35/519709735.db2.gz WZHJKSADIHDKIR-RUZDIDTESA-N 1 1 442.644 5.855 50 0 IKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843576 519709982 /nfs/dbraw/zinc/70/99/82/519709982.db2.gz WZHJKSADIHDKIR-VWLOTQADSA-N 1 1 442.644 5.855 50 0 IKAAMO CCC[N@H+]1CCc2c(c(CN(C(=O)C3CCCCC3)C(C)C)nn2-c2ccc(C)cc2)C1 ZINC000035926206 519863644 /nfs/dbraw/zinc/86/36/44/519863644.db2.gz SEZKUSXJDCBDER-UHFFFAOYSA-N 1 1 436.644 5.266 50 0 IKAAMO CCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(C)cc1)C[N@H+](CC)CC3 ZINC000035427406 519884065 /nfs/dbraw/zinc/88/40/65/519884065.db2.gz XPHSERKTOOPQGK-XMMPIXPASA-N 1 1 448.636 5.250 50 0 IKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000035843641 520442692 /nfs/dbraw/zinc/44/26/92/520442692.db2.gz JENNSLIZBJXLAP-JOCHJYFZSA-N 1 1 437.436 5.870 50 0 IKAAMO CCOc1cc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)ccc1OC ZINC000012438602 520696888 /nfs/dbraw/zinc/69/68/88/520696888.db2.gz SSTVUCKDVUPLRR-LJQANCHMSA-N 1 1 445.003 5.056 50 0 IKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@@H](c2ccccc2)c2ccccn2)n1 ZINC000012585751 520762798 /nfs/dbraw/zinc/76/27/98/520762798.db2.gz LSNPWDXSCGRYGE-QHCPKHFHSA-N 1 1 431.609 5.746 50 0 IKAAMO CCOc1ccc(-c2nc(C[N@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1 ZINC000012302778 520816031 /nfs/dbraw/zinc/81/60/31/520816031.db2.gz HYXKACSKFVFZKS-UHFFFAOYSA-N 1 1 430.552 5.483 50 0 IKAAMO CCOc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1 ZINC000012302778 520816036 /nfs/dbraw/zinc/81/60/36/520816036.db2.gz HYXKACSKFVFZKS-UHFFFAOYSA-N 1 1 430.552 5.483 50 0 IKAAMO CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021795488 521098098 /nfs/dbraw/zinc/09/80/98/521098098.db2.gz LVHQPTDESUMMEW-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021795488 521098108 /nfs/dbraw/zinc/09/81/08/521098108.db2.gz LVHQPTDESUMMEW-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO CCOc1ccc([C@@](O)(CCC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447040 521250844 /nfs/dbraw/zinc/25/08/44/521250844.db2.gz CMGZZHHJWZJKQF-UIOOFZCWSA-N 1 1 446.031 5.479 50 0 IKAAMO CCCC[C@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447034 521255760 /nfs/dbraw/zinc/25/57/60/521255760.db2.gz XMOALVBFZYUAEM-RPBOFIJWSA-N 1 1 432.004 5.233 50 0 IKAAMO CCOc1ccc([C@](O)(CCC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447049 521277332 /nfs/dbraw/zinc/27/73/32/521277332.db2.gz CMGZZHHJWZJKQF-CLJLJLNGSA-N 1 1 446.031 5.479 50 0 IKAAMO CCCCc1ncc(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]1 ZINC000012305208 521289978 /nfs/dbraw/zinc/28/99/78/521289978.db2.gz CVGSLMUBHMLVDG-UHFFFAOYSA-N 1 1 445.655 5.370 50 0 IKAAMO CC[N@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012714739 521330402 /nfs/dbraw/zinc/33/04/02/521330402.db2.gz WHRXNERUIONHKB-XMMPIXPASA-N 1 1 448.586 5.185 50 0 IKAAMO CC[N@H+](Cc1ccc(Oc2ncccn2)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012714735 521331031 /nfs/dbraw/zinc/33/10/31/521331031.db2.gz WHRXNERUIONHKB-DEOSSOPVSA-N 1 1 448.586 5.185 50 0 IKAAMO CC[N@H+]1CCC[C@H]1CN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000022037937 521658390 /nfs/dbraw/zinc/65/83/90/521658390.db2.gz SUMBPUAQPZQJBA-FXAWDEMLSA-N 1 1 439.909 5.113 50 0 IKAAMO CCN1CCC[C@H]1C[NH2+][C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000022037937 521658393 /nfs/dbraw/zinc/65/83/93/521658393.db2.gz SUMBPUAQPZQJBA-FXAWDEMLSA-N 1 1 439.909 5.113 50 0 IKAAMO CC[NH+]1CCN([C@@H](c2cccs2)c2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000022917857 521692482 /nfs/dbraw/zinc/69/24/82/521692482.db2.gz JYAOTWZPMGUUJO-QFIPXVFZSA-N 1 1 439.650 5.406 50 0 IKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](CCC(C)C)NC(=O)NC2CCCC2)C1 ZINC000020532206 521724736 /nfs/dbraw/zinc/72/47/36/521724736.db2.gz JOGXTVLTLGVFAQ-NRFANRHFSA-N 1 1 442.673 5.636 50 0 IKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cccc3c2CCCC3)C1 ZINC000020532243 521724917 /nfs/dbraw/zinc/72/49/17/521724917.db2.gz SLJAUZLFBJXQKQ-GOSISDBHSA-N 1 1 448.636 5.678 50 0 IKAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](COc4cccc(F)c4)C3)c(C)o2)ccc1F ZINC000012304170 521903081 /nfs/dbraw/zinc/90/30/81/521903081.db2.gz GCDVDDPGVLWSHL-QGZVFWFLSA-N 1 1 428.479 5.228 50 0 IKAAMO COC(=O)c1ccc(-c2nc(C[NH+]3CCC(Oc4ccc(Cl)cc4)CC3)c(C)o2)cc1 ZINC000012228844 521926341 /nfs/dbraw/zinc/92/63/41/521926341.db2.gz YYAPEYRNLSIJGV-UHFFFAOYSA-N 1 1 440.927 5.133 50 0 IKAAMO COC(=O)c1ccc(C[N@@H+](Cc2cccn2Cc2ccc(F)cc2)C2CCCCC2)cc1 ZINC000035843738 522001832 /nfs/dbraw/zinc/00/18/32/522001832.db2.gz RHBJPESWGTVCCV-UHFFFAOYSA-N 1 1 434.555 5.797 50 0 IKAAMO C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)[C@H]1CCC(=O)N(Cc2ccc(F)cc2F)CC1 ZINC000012123977 522698567 /nfs/dbraw/zinc/69/85/67/522698567.db2.gz HHZSZFDOTQMXKI-KROKWJMESA-N 1 1 430.583 5.384 50 0 IKAAMO CC[C@@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532211 522750677 /nfs/dbraw/zinc/75/06/77/522750677.db2.gz BTMYUAQTDYROAJ-HXUWFJFHSA-N 1 1 436.625 5.806 50 0 IKAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000012418665 522934265 /nfs/dbraw/zinc/93/42/65/522934265.db2.gz FHCDSSAQYVTDRX-CYSDGLOUSA-N 1 1 445.987 5.234 50 0 biogenic,in-vitro IKAAMO CCn1c(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)nc2ccccc21 ZINC000012445662 523191534 /nfs/dbraw/zinc/19/15/34/523191534.db2.gz MROKJOYTZMXCET-FQEVSTJZSA-N 1 1 434.584 5.004 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](COc4ccccc4F)C3)c(C)o2)cc1OC ZINC000012579978 523204729 /nfs/dbraw/zinc/20/47/29/523204729.db2.gz OAQWLYPEOLKNIO-SFHVURJKSA-N 1 1 440.515 5.097 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1 ZINC000020540189 523204782 /nfs/dbraw/zinc/20/47/82/523204782.db2.gz OTENVPSCZFZHSP-KRWDZBQOSA-N 1 1 433.508 5.188 50 0 IKAAMO COCCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843744 523264050 /nfs/dbraw/zinc/26/40/50/523264050.db2.gz RPWYLRRDBNKHLB-UHFFFAOYSA-N 1 1 434.477 5.733 50 0 IKAAMO CCn1nc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902077 523610047 /nfs/dbraw/zinc/61/00/47/523610047.db2.gz QRICUEGJUXATQW-NRFANRHFSA-N 1 1 444.623 5.387 50 0 IKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)[C@H]2c1ccccc1 ZINC000021045790 523718360 /nfs/dbraw/zinc/71/83/60/523718360.db2.gz GTXBSUDYMULIED-QHCPKHFHSA-N 1 1 442.987 5.998 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)[C@H]2c1ccccc1 ZINC000021045790 523718366 /nfs/dbraw/zinc/71/83/66/523718366.db2.gz GTXBSUDYMULIED-QHCPKHFHSA-N 1 1 442.987 5.998 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476927 523843401 /nfs/dbraw/zinc/84/34/01/523843401.db2.gz DFWTYXJPZLYOMH-QFIPXVFZSA-N 1 1 433.602 6.529 50 0 IKAAMO COc1ccc(C[N@H+](C)Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)c2cccnc12 ZINC000012204571 524008045 /nfs/dbraw/zinc/00/80/45/524008045.db2.gz RHIUYUAXEJRHHD-UHFFFAOYSA-N 1 1 441.453 5.858 50 0 IKAAMO COc1ccc(C[N@@H+](C)Cc2nc(-c3cccc(C(F)(F)F)c3)oc2C)c2cccnc12 ZINC000012204571 524008052 /nfs/dbraw/zinc/00/80/52/524008052.db2.gz RHIUYUAXEJRHHD-UHFFFAOYSA-N 1 1 441.453 5.858 50 0 IKAAMO COc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476843 524102005 /nfs/dbraw/zinc/10/20/05/524102005.db2.gz NWYYVTXJSXUJHY-XMMPIXPASA-N 1 1 443.572 6.222 50 0 IKAAMO COc1cccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476842 524162753 /nfs/dbraw/zinc/16/27/53/524162753.db2.gz NWYYVTXJSXUJHY-DEOSSOPVSA-N 1 1 443.572 6.222 50 0 IKAAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)c1 ZINC000035476844 524162811 /nfs/dbraw/zinc/16/28/11/524162811.db2.gz SGGSZWVXEJKQGU-DEOSSOPVSA-N 1 1 443.572 6.222 50 0 IKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737371 524364085 /nfs/dbraw/zinc/36/40/85/524364085.db2.gz YRTYIEAXPZOWKH-OFXLYPJESA-N 1 1 449.620 5.155 50 0 IKAAMO C[C@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000012279821 524469727 /nfs/dbraw/zinc/46/97/27/524469727.db2.gz SDFADHJBHDGTJB-QGZVFWFLSA-N 1 1 446.469 5.128 50 0 IKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021795506 524579024 /nfs/dbraw/zinc/57/90/24/524579024.db2.gz LGKMFIUABDTJQR-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021795506 524579032 /nfs/dbraw/zinc/57/90/32/524579032.db2.gz LGKMFIUABDTJQR-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO COc1ccccc1NC(=O)Cc1nc(C[NH2+][C@@H](C)c2cccc3ccccc32)cs1 ZINC000012874105 524603954 /nfs/dbraw/zinc/60/39/54/524603954.db2.gz ZMEFQHLZCKNGFA-KRWDZBQOSA-N 1 1 431.561 5.337 50 0 IKAAMO Cc1ccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3ccsc32)cc1 ZINC000035843827 524767549 /nfs/dbraw/zinc/76/75/49/524767549.db2.gz DSXLZZBBKLURFD-UHFFFAOYSA-N 1 1 429.589 5.018 50 0 IKAAMO COc1ccc(OC)c(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012308542 524825311 /nfs/dbraw/zinc/82/53/11/524825311.db2.gz YUNZDJBUTVIQIU-HSZRJFAPSA-N 1 1 437.628 5.146 50 0 IKAAMO Cc1ccccc1-c1ccc(C[N@H+]2CCOc3ccc([C@@H](O)c4cccnc4)cc3C2)cc1 ZINC000012152215 525003830 /nfs/dbraw/zinc/00/38/30/525003830.db2.gz OJAQRYUDRSIYCQ-GDLZYMKVSA-N 1 1 436.555 5.533 50 0 IKAAMO Cc1cc(NC(=O)C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)n(-c2ccccc2)n1 ZINC000012568005 525147388 /nfs/dbraw/zinc/14/73/88/525147388.db2.gz BTSOAFJXOSDQIR-MHZLTWQESA-N 1 1 436.515 5.245 50 0 IKAAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476839 525204136 /nfs/dbraw/zinc/20/41/36/525204136.db2.gz PKHOEMWHYIKXQW-XMMPIXPASA-N 1 1 443.572 6.222 50 0 IKAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000035088447 525238231 /nfs/dbraw/zinc/23/82/31/525238231.db2.gz DRLQYRAHNGPDIT-HRFSGMKKSA-N 1 1 441.575 5.401 50 0 IKAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cc(C)[nH+]c2C)cc1 ZINC000012602540 525239266 /nfs/dbraw/zinc/23/92/66/525239266.db2.gz PAHYCQZPTUXGFM-SANMLTNESA-N 1 1 438.531 5.040 50 0 IKAAMO COc1ccc([C@@](O)(CCC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446975 525283509 /nfs/dbraw/zinc/28/35/09/525283509.db2.gz BKARIVRTTVHMED-RPBOFIJWSA-N 1 1 432.004 5.088 50 0 IKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1cccc(F)c1 ZINC000035840821 525314004 /nfs/dbraw/zinc/31/40/04/525314004.db2.gz JIWCFEDUMFDOCQ-AREMUKBSSA-N 1 1 438.587 5.272 50 0 IKAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000021793916 525321947 /nfs/dbraw/zinc/32/19/47/525321947.db2.gz YDHFYDYTVSXUGB-UHFFFAOYSA-N 1 1 443.595 5.097 50 0 IKAAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476838 525375843 /nfs/dbraw/zinc/37/58/43/525375843.db2.gz PKHOEMWHYIKXQW-DEOSSOPVSA-N 1 1 443.572 6.222 50 0 IKAAMO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000021659624 525430646 /nfs/dbraw/zinc/43/06/46/525430646.db2.gz FPNUDDKOIGOCIH-RUZDIDTESA-N 1 1 437.503 5.622 50 0 IKAAMO Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021805671 525430853 /nfs/dbraw/zinc/43/08/53/525430853.db2.gz GEHFKRATFUUQHB-MHZLTWQESA-N 1 1 447.542 6.029 50 0 IKAAMO C[C@@H]([NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1)c1nnc2n1CCCCC2 ZINC000040088626 525527770 /nfs/dbraw/zinc/52/77/70/525527770.db2.gz KPBZRCJKPDSJET-MRXNPFEDSA-N 1 1 428.939 5.227 50 0 IKAAMO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(Cl)cc1 ZINC000012739527 525560075 /nfs/dbraw/zinc/56/00/75/525560075.db2.gz UNAUDTFDRASUOL-GFCCVEGCSA-N 1 1 430.360 5.809 50 0 IKAAMO C[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000035930588 525714730 /nfs/dbraw/zinc/71/47/30/525714730.db2.gz BPODYCZWRPAIBO-MXGGMJLHSA-N 1 1 437.627 7.295 50 0 IKAAMO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cccc(F)c3F)CC2)c1 ZINC000012576642 525715915 /nfs/dbraw/zinc/71/59/15/525715915.db2.gz GOXRTALNOKECMV-UHFFFAOYSA-N 1 1 436.502 5.491 50 0 IKAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](c4ccc(Cl)cc4)C3)c(C)o2)c1OC ZINC000020780072 525723975 /nfs/dbraw/zinc/72/39/75/525723975.db2.gz KHFSRTWDATXEKC-SFHVURJKSA-N 1 1 426.944 5.700 50 0 IKAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000012803348 525772134 /nfs/dbraw/zinc/77/21/34/525772134.db2.gz AVPIZWUSMODFHM-RUZDIDTESA-N 1 1 447.604 5.047 50 0 IKAAMO Cc1ccsc1[C@H]1CCCCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000033087087 525890725 /nfs/dbraw/zinc/89/07/25/525890725.db2.gz IEDRUDOPPACPOA-JOCHJYFZSA-N 1 1 433.646 7.088 50 0 IKAAMO COc1cccc(C[N@@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)[C@H](C)C(C)C)c1 ZINC000035841208 525923113 /nfs/dbraw/zinc/92/31/13/525923113.db2.gz MXHQNWXDWUEBBQ-HXUWFJFHSA-N 1 1 444.541 6.611 50 0 IKAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000012244914 526034445 /nfs/dbraw/zinc/03/44/45/526034445.db2.gz QZPVXHSWRFPXNM-NQIIRXRSSA-N 1 1 436.987 5.304 50 0 IKAAMO Fc1ccc(Cn2cccc2C[N@@H+](Cc2c(F)cccc2F)CC2CCCCC2)cc1 ZINC000035843780 526347304 /nfs/dbraw/zinc/34/73/04/526347304.db2.gz HOPOHGSQASXWEK-UHFFFAOYSA-N 1 1 426.526 6.536 50 0 IKAAMO Fc1ccc(Cn2cccc2C[N@H+](Cc2c(F)cccc2F)CC2CCCCC2)cc1 ZINC000035843780 526347310 /nfs/dbraw/zinc/34/73/10/526347310.db2.gz HOPOHGSQASXWEK-UHFFFAOYSA-N 1 1 426.526 6.536 50 0 IKAAMO c1c(-c2ccccc2)sc2nc(-c3ccccc3)nc(NCCC[NH+]3CCOCC3)c12 ZINC000021548870 526396728 /nfs/dbraw/zinc/39/67/28/526396728.db2.gz ZJVSOPYQQRGSQQ-UHFFFAOYSA-N 1 1 430.577 5.160 50 0 IKAAMO O=C(CC[NH+]1CCN(Cc2csc3ccccc23)CC1)Nc1c(Cl)cccc1Cl ZINC000022916962 526488086 /nfs/dbraw/zinc/48/80/86/526488086.db2.gz ZPVWASBAQLXZMI-UHFFFAOYSA-N 1 1 448.419 5.355 50 0 IKAAMO Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000012740911 526602496 /nfs/dbraw/zinc/60/24/96/526602496.db2.gz CKPJOLDTPGYFHV-HUUCEWRRSA-N 1 1 426.611 5.305 50 0 IKAAMO Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000012740917 526602722 /nfs/dbraw/zinc/60/27/22/526602722.db2.gz CKPJOLDTPGYFHV-GJZGRUSLSA-N 1 1 426.611 5.305 50 0 IKAAMO O=C(C[NH+]1CCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 ZINC000012759367 526734265 /nfs/dbraw/zinc/73/42/65/526734265.db2.gz MZVNNQLMDUHOKI-UHFFFAOYSA-N 1 1 441.962 6.257 50 0 IKAAMO Cc1oc(-c2cccs2)nc1CN(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012468578 526747478 /nfs/dbraw/zinc/74/74/78/526747478.db2.gz WWTVSSQQSUGILN-QFIPXVFZSA-N 1 1 443.657 5.347 50 0 IKAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012705574 526748041 /nfs/dbraw/zinc/74/80/41/526748041.db2.gz WNHHNSZCDUGQRK-QGZVFWFLSA-N 1 1 427.545 5.482 50 0 IKAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012705574 526748048 /nfs/dbraw/zinc/74/80/48/526748048.db2.gz WNHHNSZCDUGQRK-QGZVFWFLSA-N 1 1 427.545 5.482 50 0 IKAAMO Cc1oc2c(ccc3c2CN(C[C@@H]2CCC[N@H+]4CCCC[C@H]24)CO3)c(=O)c1-c1ccccc1 ZINC000020763608 526779142 /nfs/dbraw/zinc/77/91/42/526779142.db2.gz VJJJBNQJHYLWDK-XUZZJYLKSA-N 1 1 444.575 5.185 50 0 biogenic IKAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035271205 526815049 /nfs/dbraw/zinc/81/50/49/526815049.db2.gz IJTHSHYWZIATEW-SBUREZEXSA-N 1 1 437.634 5.073 50 0 IKAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035271205 526815057 /nfs/dbraw/zinc/81/50/57/526815057.db2.gz IJTHSHYWZIATEW-SBUREZEXSA-N 1 1 437.634 5.073 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c1C ZINC000035476885 526884139 /nfs/dbraw/zinc/88/41/39/526884139.db2.gz NIPRBUSOGCLZBF-XMMPIXPASA-N 1 1 445.563 6.661 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)[nH+]2)c2ccccn2)c1C ZINC000035476893 526884926 /nfs/dbraw/zinc/88/49/26/526884926.db2.gz NALMRVOAUNUBFO-HSZRJFAPSA-N 1 1 428.561 5.917 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c1C ZINC000035476884 526884963 /nfs/dbraw/zinc/88/49/63/526884963.db2.gz NIPRBUSOGCLZBF-DEOSSOPVSA-N 1 1 445.563 6.661 50 0 IKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(Br)cc1F ZINC000012926600 526890763 /nfs/dbraw/zinc/89/07/63/526890763.db2.gz GCQCJSXOWOSVRC-IBGZPJMESA-N 1 1 437.309 5.107 50 0 IKAAMO O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012718444 526899605 /nfs/dbraw/zinc/89/96/05/526899605.db2.gz QLDCGJUGBRODIJ-QFIPXVFZSA-N 1 1 449.542 5.167 50 0 IKAAMO Clc1ccc(-c2nnc([C@@H](c3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000021916559 526935695 /nfs/dbraw/zinc/93/56/95/526935695.db2.gz DFUYRYMOAXXHAN-XMMPIXPASA-N 1 1 444.966 5.297 50 0 IKAAMO Clc1ccc(Oc2cccc(CN3CC[N@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000252469971 526958815 /nfs/dbraw/zinc/95/88/15/526958815.db2.gz CAUUZMHTQOKFAB-CLJLJLNGSA-N 1 1 425.016 6.361 50 0 IKAAMO Cn1c(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000012202067 527053424 /nfs/dbraw/zinc/05/34/24/527053424.db2.gz SWPFEBCLKKKORA-KRWDZBQOSA-N 1 1 444.501 5.223 50 0 IKAAMO Cn1c(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000012202067 527053432 /nfs/dbraw/zinc/05/34/32/527053432.db2.gz SWPFEBCLKKKORA-KRWDZBQOSA-N 1 1 444.501 5.223 50 0 IKAAMO Cn1c(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000012202075 527054884 /nfs/dbraw/zinc/05/48/84/527054884.db2.gz SWPFEBCLKKKORA-QGZVFWFLSA-N 1 1 444.501 5.223 50 0 IKAAMO Cn1c(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 ZINC000012202075 527054888 /nfs/dbraw/zinc/05/48/88/527054888.db2.gz SWPFEBCLKKKORA-QGZVFWFLSA-N 1 1 444.501 5.223 50 0 IKAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000009531207 535606602 /nfs/dbraw/zinc/60/66/02/535606602.db2.gz KDFDVLLDPVRLHG-UHFFFAOYSA-N 1 1 440.547 5.175 50 0 IKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000633741 555516071 /nfs/dbraw/zinc/51/60/71/555516071.db2.gz VFKJIMSMWKLQNW-DNQXCXABSA-N 1 1 442.906 5.153 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)cc1 ZINC000001447573 555699229 /nfs/dbraw/zinc/69/92/29/555699229.db2.gz VBYPUMRSTXPRPV-UHFFFAOYSA-N 1 1 434.499 5.737 50 0 IKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccco2)c1 ZINC000001447549 555699285 /nfs/dbraw/zinc/69/92/85/555699285.db2.gz HNGMJBFXWQCARD-UHFFFAOYSA-N 1 1 434.421 6.311 50 0 IKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)cc1 ZINC000001447607 555699312 /nfs/dbraw/zinc/69/93/12/555699312.db2.gz DSPPIVBSUJMIBC-LJQANCHMSA-N 1 1 449.352 5.441 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)cc1Cl ZINC000001447685 555699555 /nfs/dbraw/zinc/69/95/55/555699555.db2.gz XYVCARSFBDMWBL-UHFFFAOYSA-N 1 1 425.923 6.056 50 0 IKAAMO COC[C@@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000001447714 555699569 /nfs/dbraw/zinc/69/95/69/555699569.db2.gz QFXZPOJNAGPDPA-OAHLLOKOSA-N 1 1 437.341 5.297 50 0 IKAAMO COC(=O)CN1C(c2ccccc2)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002070288 555734533 /nfs/dbraw/zinc/73/45/33/555734533.db2.gz RSJCKHZEGPQSEV-JOCHJYFZSA-N 1 1 435.321 5.105 50 0 IKAAMO Cc1cccc(-c2noc(C[NH+]3CCC4(C[C@H]4c4nnc(-c5cccc(F)c5)o4)CC3)n2)c1 ZINC000071890591 555747885 /nfs/dbraw/zinc/74/78/85/555747885.db2.gz OQBLNLIECCWNLO-FQEVSTJZSA-N 1 1 445.498 5.004 50 0 IKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000002247358 555761882 /nfs/dbraw/zinc/76/18/82/555761882.db2.gz FDNCQVNUFFBWQC-RPWUZVMVSA-N 1 1 442.906 5.153 50 0 IKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000002247359 555761890 /nfs/dbraw/zinc/76/18/90/555761890.db2.gz FDNCQVNUFFBWQC-BJKOFHAPSA-N 1 1 442.906 5.153 50 0 IKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000002247360 555761934 /nfs/dbraw/zinc/76/19/34/555761934.db2.gz FDNCQVNUFFBWQC-DNQXCXABSA-N 1 1 442.906 5.153 50 0 IKAAMO CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667464 555791403 /nfs/dbraw/zinc/79/14/03/555791403.db2.gz MYMRHCZAYUWDBB-DCFHFQCYSA-N 1 1 446.566 5.265 50 0 IKAAMO CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667464 555791406 /nfs/dbraw/zinc/79/14/06/555791406.db2.gz MYMRHCZAYUWDBB-DCFHFQCYSA-N 1 1 446.566 5.265 50 0 IKAAMO CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667465 555791470 /nfs/dbraw/zinc/79/14/70/555791470.db2.gz MYMRHCZAYUWDBB-NFQMXDRXSA-N 1 1 446.566 5.265 50 0 IKAAMO CC(C)NC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667465 555791472 /nfs/dbraw/zinc/79/14/72/555791472.db2.gz MYMRHCZAYUWDBB-NFQMXDRXSA-N 1 1 446.566 5.265 50 0 IKAAMO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671810 555793088 /nfs/dbraw/zinc/79/30/88/555793088.db2.gz DSRVWTDQIQUZFF-KDYSTLNUSA-N 1 1 428.576 5.046 50 0 IKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cc(OC)cc(OC)c2)cc1 ZINC000002751372 555810337 /nfs/dbraw/zinc/81/03/37/555810337.db2.gz AROOQDCSBBDXKM-UHFFFAOYSA-N 1 1 449.547 5.076 50 0 biogenic IKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3cccn3C)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699096 555814300 /nfs/dbraw/zinc/81/43/00/555814300.db2.gz OTBQZSDHSBFOAD-VPUSJEBWSA-N 1 1 429.608 5.100 50 0 IKAAMO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(C)c3)CC2)nc1)c1ccccc1 ZINC000034681896 555815718 /nfs/dbraw/zinc/81/57/18/555815718.db2.gz LVPMRNHXYCZPAS-AREMUKBSSA-N 1 1 442.607 5.235 50 0 IKAAMO Cc1cccc(C(=O)N(C[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2c2ccc(F)cc2)C2CC2)c1 ZINC000034699192 555830966 /nfs/dbraw/zinc/83/09/66/555830966.db2.gz PVTGCPAMFRJUOW-BKMJKUGQSA-N 1 1 432.539 5.248 50 0 IKAAMO COc1cccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000034723346 555862084 /nfs/dbraw/zinc/86/20/84/555862084.db2.gz OZQKILQMNRJXOJ-QPPBQGQZSA-N 1 1 432.530 5.416 50 0 IKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000002917906 555863032 /nfs/dbraw/zinc/86/30/32/555863032.db2.gz LMDQPAJOZJBVBM-RPWUZVMVSA-N 1 1 442.906 5.153 50 0 IKAAMO Cc1cc([C@@H]2C[C@H](C(=O)NCc3ccccc3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716626 555865796 /nfs/dbraw/zinc/86/57/96/555865796.db2.gz SQCNIMUXBLGGPT-RPWUZVMVSA-N 1 1 434.530 5.195 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740272 555883255 /nfs/dbraw/zinc/88/32/55/555883255.db2.gz GIXYHFPBYHIBKI-WIOPSUGQSA-N 1 1 429.004 5.069 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740273 555883286 /nfs/dbraw/zinc/88/32/86/555883286.db2.gz GIXYHFPBYHIBKI-RCZVLFRGSA-N 1 1 429.004 5.069 50 0 IKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(C(=O)C3CCCC3)C(C)C)C2)o1 ZINC000034760538 555904195 /nfs/dbraw/zinc/90/41/95/555904195.db2.gz UGQGMBVZTJYOJV-RDGATRHJSA-N 1 1 426.576 5.370 50 0 IKAAMO CCn1nc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1-c1ccc(C(C)(C)C)cc1 ZINC000034902079 555929240 /nfs/dbraw/zinc/92/92/40/555929240.db2.gz QRICUEGJUXATQW-OAQYLSRUSA-N 1 1 444.623 5.387 50 0 IKAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000004574093 556002082 /nfs/dbraw/zinc/00/20/82/556002082.db2.gz PCNJVSSSPXTRCT-XMMPIXPASA-N 1 1 428.617 5.608 50 0 IKAAMO COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714165 556129452 /nfs/dbraw/zinc/12/94/52/556129452.db2.gz HZDHWTNSZIDOBC-UHFFFAOYSA-N 1 1 426.442 5.555 50 0 IKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)cc1 ZINC000002714719 556129829 /nfs/dbraw/zinc/12/98/29/556129829.db2.gz TYLMGURRYFCKRV-UHFFFAOYSA-N 1 1 440.934 6.362 50 0 IKAAMO COc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)cc1 ZINC000002714693 556129899 /nfs/dbraw/zinc/12/98/99/556129899.db2.gz VJERTLQNCZMBJP-UHFFFAOYSA-N 1 1 436.515 5.717 50 0 IKAAMO COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714492 556129924 /nfs/dbraw/zinc/12/99/24/556129924.db2.gz ZMHDZBQKGUSROO-UHFFFAOYSA-N 1 1 437.341 5.298 50 0 IKAAMO CCN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C1CCCCC1 ZINC000002715131 556130220 /nfs/dbraw/zinc/13/02/20/556130220.db2.gz WNORFCFCGNGMFV-UHFFFAOYSA-N 1 1 430.983 6.900 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc(C)cc2)cc1 ZINC000002715197 556130240 /nfs/dbraw/zinc/13/02/40/556130240.db2.gz WVNLFKAYASDVIO-UHFFFAOYSA-N 1 1 434.543 6.407 50 0 IKAAMO CCCN(CCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714870 556130268 /nfs/dbraw/zinc/13/02/68/556130268.db2.gz NTUGLTKCLVKLQA-UHFFFAOYSA-N 1 1 438.497 6.733 50 0 IKAAMO CCN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)C1CCCCC1 ZINC000002975027 556153225 /nfs/dbraw/zinc/15/32/25/556153225.db2.gz ZBMZAYNENZPUBB-UHFFFAOYSA-N 1 1 430.983 6.900 50 0 IKAAMO O=C1N[C@@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008721979 556203062 /nfs/dbraw/zinc/20/30/62/556203062.db2.gz GMOYKFKZDHZAQV-HXUWFJFHSA-N 1 1 444.387 5.467 50 0 IKAAMO O=C1N[C@@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008721979 556203064 /nfs/dbraw/zinc/20/30/64/556203064.db2.gz GMOYKFKZDHZAQV-HXUWFJFHSA-N 1 1 444.387 5.467 50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 ZINC000013712944 556285317 /nfs/dbraw/zinc/28/53/17/556285317.db2.gz NDKVNSJUHRMKDC-XZOQPEGZSA-N 1 1 430.870 5.283 50 0 IKAAMO S=C(Nc1cccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013828542 556316283 /nfs/dbraw/zinc/31/62/83/556316283.db2.gz WIKGLMFMGKTLQC-UHFFFAOYSA-N 1 1 437.612 5.944 50 0 IKAAMO O=C(c1cccc(Cl)c1)N1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000009933422 556317042 /nfs/dbraw/zinc/31/70/42/556317042.db2.gz FDWQBVCMFJNQLP-UHFFFAOYSA-N 1 1 432.995 5.690 50 0 IKAAMO CCCCc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000013880275 556325631 /nfs/dbraw/zinc/32/56/31/556325631.db2.gz MYDXJCUBZMWULW-UHFFFAOYSA-N 1 1 443.660 6.133 50 0 IKAAMO Cc1nc2sccn2c1CN(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011663869 556344722 /nfs/dbraw/zinc/34/47/22/556344722.db2.gz QMSJPTHWNCOGKN-QFIPXVFZSA-N 1 1 437.657 5.146 50 0 IKAAMO COc1ccc2cc(-c3n[nH]cc3C[NH2+][C@@H](c3nc4ccc(C)cc4[nH]3)C(C)C)ccc2c1 ZINC000011664741 556345079 /nfs/dbraw/zinc/34/50/79/556345079.db2.gz GMINVGCOMGNYJS-RUZDIDTESA-N 1 1 439.563 5.910 50 0 IKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)c(C)o2)c2ccccc12 ZINC000011667782 556346410 /nfs/dbraw/zinc/34/64/10/556346410.db2.gz KFVFMMBKSCDKAB-NRFANRHFSA-N 1 1 443.547 5.388 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)c(C)o2)c2ccccc12 ZINC000011667782 556346412 /nfs/dbraw/zinc/34/64/12/556346412.db2.gz KFVFMMBKSCDKAB-NRFANRHFSA-N 1 1 443.547 5.388 50 0 IKAAMO COc1cc(/C=C/C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)ccc1O ZINC000011701162 556347238 /nfs/dbraw/zinc/34/72/38/556347238.db2.gz WNITYRNEBMGHGR-XGLIRFAXSA-N 1 1 432.520 5.025 50 0 IKAAMO CCc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000011764488 556349743 /nfs/dbraw/zinc/34/97/43/556349743.db2.gz DOUKWMQQECUBNC-QFIPXVFZSA-N 1 1 439.563 5.038 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](COc4ccc(F)cc4)C3)c(C)o2)c(OC)c1 ZINC000011816839 556359591 /nfs/dbraw/zinc/35/95/91/556359591.db2.gz KLQSEJKEUNSWFO-SFHVURJKSA-N 1 1 440.515 5.097 50 0 IKAAMO CCCn1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000011842702 556365910 /nfs/dbraw/zinc/36/59/10/556365910.db2.gz DYQBWWMEEZQGHA-QFIPXVFZSA-N 1 1 446.595 5.128 50 0 IKAAMO COc1cccc(NC(=O)[C@H]([NH2+]Cc2ccc(-c3csc(C)n3)s2)c2ccccc2)c1 ZINC000014124000 556372921 /nfs/dbraw/zinc/37/29/21/556372921.db2.gz YCQNHAFPMBVWBV-HSZRJFAPSA-N 1 1 449.601 5.658 50 0 IKAAMO CCCCc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)[nH]1 ZINC000011936744 556379142 /nfs/dbraw/zinc/37/91/42/556379142.db2.gz AJRCDANKWRYMHK-OAQYLSRUSA-N 1 1 446.595 5.279 50 0 IKAAMO CCCCc1nc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c[nH]1 ZINC000011936744 556379144 /nfs/dbraw/zinc/37/91/44/556379144.db2.gz AJRCDANKWRYMHK-OAQYLSRUSA-N 1 1 446.595 5.279 50 0 IKAAMO CCCCc1nc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c[nH]1 ZINC000011936744 556379146 /nfs/dbraw/zinc/37/91/46/556379146.db2.gz AJRCDANKWRYMHK-OAQYLSRUSA-N 1 1 446.595 5.279 50 0 IKAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3[nH]c4c(cccc4C)c3C)C2)c1 ZINC000011957067 556381101 /nfs/dbraw/zinc/38/11/01/556381101.db2.gz IUYUCVCFLXPBGA-NRFANRHFSA-N 1 1 433.596 5.102 50 0 IKAAMO O=C(NCCSc1ccc(Cl)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000014185958 556385725 /nfs/dbraw/zinc/38/57/25/556385725.db2.gz XJOLFSLFFKANRQ-UHFFFAOYSA-N 1 1 437.008 5.420 50 0 IKAAMO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)N1CCCCC1 ZINC000012049700 556392036 /nfs/dbraw/zinc/39/20/36/556392036.db2.gz XKQFSDAYDSCZNQ-UHFFFAOYSA-N 1 1 448.941 5.288 50 0 IKAAMO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000012056402 556394178 /nfs/dbraw/zinc/39/41/78/556394178.db2.gz NKUIXROMKLLRFA-UHFFFAOYSA-N 1 1 449.558 5.062 50 0 IKAAMO COc1c(C)cccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014273631 556411387 /nfs/dbraw/zinc/41/13/87/556411387.db2.gz OWJLKMWNXJLVCI-UHFFFAOYSA-N 1 1 449.982 5.232 50 0 IKAAMO C[C@H](Cc1cccs1)[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000032836184 556418182 /nfs/dbraw/zinc/41/81/82/556418182.db2.gz RGQOVZZKTQFIKW-OAHLLOKOSA-N 1 1 429.998 5.104 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)no2)cc1F ZINC000027989877 556439733 /nfs/dbraw/zinc/43/97/33/556439733.db2.gz BFMLGIGKZHKATK-QFIPXVFZSA-N 1 1 441.934 5.400 50 0 IKAAMO COc1ccc(C[NH2+][C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC ZINC000013031981 556443013 /nfs/dbraw/zinc/44/30/13/556443013.db2.gz WIESXFQUYYDXDU-JOCHJYFZSA-N 1 1 444.453 5.192 50 0 IKAAMO C[N@H+](Cc1ccccc1)[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000013040476 556446218 /nfs/dbraw/zinc/44/62/18/556446218.db2.gz ARJPLBGJSZFOEU-NRFANRHFSA-N 1 1 432.873 6.171 50 0 IKAAMO C[N@@H+](Cc1ccccc1)[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000013040476 556446222 /nfs/dbraw/zinc/44/62/22/556446222.db2.gz ARJPLBGJSZFOEU-NRFANRHFSA-N 1 1 432.873 6.171 50 0 IKAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000028286849 556447612 /nfs/dbraw/zinc/44/76/12/556447612.db2.gz SBWOYIDHOVCYGA-OAQYLSRUSA-N 1 1 444.362 5.605 50 0 IKAAMO Cc1[nH+]ccn1C[C@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000028296652 556451396 /nfs/dbraw/zinc/45/13/96/556451396.db2.gz AVIVGRSHCXPSTQ-VWLOTQADSA-N 1 1 435.571 6.158 50 0 IKAAMO Cc1[nH+]ccn1C[C@@H](O)Cn1c2c(cc(C)cc2C)c(-c2ccccc2)c1-c1ccccc1 ZINC000028296653 556451410 /nfs/dbraw/zinc/45/14/10/556451410.db2.gz AVIVGRSHCXPSTQ-RUZDIDTESA-N 1 1 435.571 6.158 50 0 IKAAMO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1cccc(Cl)c1 ZINC000013069888 556452868 /nfs/dbraw/zinc/45/28/68/556452868.db2.gz QCETZYLDYSMXKD-LBPRGKRZSA-N 1 1 430.360 5.809 50 0 IKAAMO CCC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1nnc(-c2cccs2)o1 ZINC000028896708 556463454 /nfs/dbraw/zinc/46/34/54/556463454.db2.gz VCZSSZCIWVURRS-UHFFFAOYSA-N 1 1 439.368 5.346 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2csc(C(C)=O)c2)C1 ZINC000014961678 556464218 /nfs/dbraw/zinc/46/42/18/556464218.db2.gz IUPMNYKUWNJGIX-INIZCTEOSA-N 1 1 434.989 5.244 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2csc(C(C)=O)c2)C1 ZINC000014961678 556464221 /nfs/dbraw/zinc/46/42/21/556464221.db2.gz IUPMNYKUWNJGIX-INIZCTEOSA-N 1 1 434.989 5.244 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000014972919 556467310 /nfs/dbraw/zinc/46/73/10/556467310.db2.gz NGRIOSMRYHKEBT-NRFANRHFSA-N 1 1 429.564 5.151 50 0 IKAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000014978433 556469662 /nfs/dbraw/zinc/46/96/62/556469662.db2.gz XIUUYZCYAGFKQF-ARKBFRDHSA-N 1 1 433.621 5.031 50 0 IKAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000014985720 556472553 /nfs/dbraw/zinc/47/25/53/556472553.db2.gz AFASECDMYGMMLO-KRWDZBQOSA-N 1 1 430.980 5.280 50 0 IKAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000014985720 556472557 /nfs/dbraw/zinc/47/25/57/556472557.db2.gz AFASECDMYGMMLO-KRWDZBQOSA-N 1 1 430.980 5.280 50 0 IKAAMO CC[NH+](CC)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000072284692 556475387 /nfs/dbraw/zinc/47/53/87/556475387.db2.gz RBMVZSFJPPPQDV-IBGZPJMESA-N 1 1 441.881 5.339 50 0 IKAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCCC[C@@H]1c1nccs1 ZINC000014991941 556475513 /nfs/dbraw/zinc/47/55/13/556475513.db2.gz UOIYYTHRBJOCPP-VWNXMTODSA-N 1 1 447.604 5.223 50 0 IKAAMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC[C@H]2CCCCN2C(=O)c2cccnc2)cc1 ZINC000014993396 556476195 /nfs/dbraw/zinc/47/61/95/556476195.db2.gz HTTSLYOTUZRYJU-HSZRJFAPSA-N 1 1 449.620 5.239 50 0 IKAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000013127680 556476468 /nfs/dbraw/zinc/47/64/68/556476468.db2.gz XIBHUKMMNDQESO-DEOSSOPVSA-N 1 1 432.568 5.054 50 0 IKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000013127680 556476471 /nfs/dbraw/zinc/47/64/71/556476471.db2.gz XIBHUKMMNDQESO-DEOSSOPVSA-N 1 1 432.568 5.054 50 0 IKAAMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013133834 556481359 /nfs/dbraw/zinc/48/13/59/556481359.db2.gz GEBKAFQGNQYEQF-QFIPXVFZSA-N 1 1 449.403 5.145 50 0 IKAAMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013133834 556481362 /nfs/dbraw/zinc/48/13/62/556481362.db2.gz GEBKAFQGNQYEQF-QFIPXVFZSA-N 1 1 449.403 5.145 50 0 IKAAMO C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013133833 556481387 /nfs/dbraw/zinc/48/13/87/556481387.db2.gz GEBKAFQGNQYEQF-JOCHJYFZSA-N 1 1 449.403 5.145 50 0 IKAAMO C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013133833 556481390 /nfs/dbraw/zinc/48/13/90/556481390.db2.gz GEBKAFQGNQYEQF-JOCHJYFZSA-N 1 1 449.403 5.145 50 0 IKAAMO C[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@H](c2ccccc2)C1 ZINC000030030389 556489991 /nfs/dbraw/zinc/48/99/91/556489991.db2.gz JMLHZWJXPNEONG-NRFANRHFSA-N 1 1 441.453 5.022 50 0 IKAAMO C[N@H+]1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@H](c2ccccc2)C1 ZINC000030030389 556489993 /nfs/dbraw/zinc/48/99/93/556489993.db2.gz JMLHZWJXPNEONG-NRFANRHFSA-N 1 1 441.453 5.022 50 0 IKAAMO COc1ccc(F)c(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000015064567 556492140 /nfs/dbraw/zinc/49/21/40/556492140.db2.gz WMBPBXQHCNXEAE-JOCHJYFZSA-N 1 1 425.592 5.276 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000015070487 556495398 /nfs/dbraw/zinc/49/53/98/556495398.db2.gz AFWCYYWXXRTLNY-GOSISDBHSA-N 1 1 428.960 5.182 50 0 IKAAMO C[N@@H+](Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)CC1CCCCC1 ZINC000015070784 556495720 /nfs/dbraw/zinc/49/57/20/556495720.db2.gz AHMJYMHXVNLHPM-UHFFFAOYSA-N 1 1 442.032 5.620 50 0 IKAAMO C[N@H+](Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)CC1CCCCC1 ZINC000015070784 556495723 /nfs/dbraw/zinc/49/57/23/556495723.db2.gz AHMJYMHXVNLHPM-UHFFFAOYSA-N 1 1 442.032 5.620 50 0 IKAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000015072304 556496688 /nfs/dbraw/zinc/49/66/88/556496688.db2.gz SDHFESDREQRGMW-HSZRJFAPSA-N 1 1 442.538 5.083 50 0 IKAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000015072304 556496690 /nfs/dbraw/zinc/49/66/90/556496690.db2.gz SDHFESDREQRGMW-HSZRJFAPSA-N 1 1 442.538 5.083 50 0 IKAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3cccc4ccccc43)oc2C)CC1 ZINC000015073240 556497343 /nfs/dbraw/zinc/49/73/43/556497343.db2.gz GLEBJNVTAZHAQN-UHFFFAOYSA-N 1 1 428.532 5.855 50 0 IKAAMO Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)c12 ZINC000032902906 556540963 /nfs/dbraw/zinc/54/09/63/556540963.db2.gz WUNRYVJHHFMDTL-UHFFFAOYSA-N 1 1 433.600 5.417 50 0 IKAAMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000072303035 556547581 /nfs/dbraw/zinc/54/75/81/556547581.db2.gz RDJBNNMAGAXSBV-FQEVSTJZSA-N 1 1 437.971 5.051 50 0 IKAAMO Cc1ccccc1CSCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015836113 556555639 /nfs/dbraw/zinc/55/56/39/556555639.db2.gz OWPSHHISNMKBQD-UHFFFAOYSA-N 1 1 430.617 5.162 50 0 IKAAMO Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCCC2)o1 ZINC000015860414 556558470 /nfs/dbraw/zinc/55/84/70/556558470.db2.gz JZBXXPISENLAHG-SFHVURJKSA-N 1 1 445.357 5.362 50 0 IKAAMO C[C@@H]1CCc2c(sc(NC(=O)C[NH+]3CCCCCC3)c2C(=O)Nc2ccccc2F)C1 ZINC000015946887 556567767 /nfs/dbraw/zinc/56/77/67/556567767.db2.gz GQTWJQYRXHQENH-MRXNPFEDSA-N 1 1 443.588 5.079 50 0 IKAAMO O=C1N[C@H](c2cccc(Cl)c2Cl)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947388 556568108 /nfs/dbraw/zinc/56/81/08/556568108.db2.gz BEMVIGTVOXRBLJ-FQEVSTJZSA-N 1 1 444.387 6.042 50 0 IKAAMO O=C1N[C@H](c2cccc(Cl)c2Cl)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947388 556568110 /nfs/dbraw/zinc/56/81/10/556568110.db2.gz BEMVIGTVOXRBLJ-FQEVSTJZSA-N 1 1 444.387 6.042 50 0 IKAAMO CCCNC(=O)COc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671866 556580439 /nfs/dbraw/zinc/58/04/39/556580439.db2.gz JLFNDYHABHLFRC-NDEPHWFRSA-N 1 1 428.576 5.048 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3ccco3)C[C@@H]2c2ccccc2)cc1 ZINC000034698949 556580939 /nfs/dbraw/zinc/58/09/39/556580939.db2.gz DXMBMFXQBCQOND-XNMGPUDCSA-N 1 1 430.592 5.602 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3ccco3)C[C@@H]2c2ccccc2)cc1 ZINC000034698948 556580978 /nfs/dbraw/zinc/58/09/78/556580978.db2.gz DXMBMFXQBCQOND-AHKZPQOWSA-N 1 1 430.592 5.602 50 0 IKAAMO CC[N@H+]1CCC[C@@H]1CN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000034719601 556581418 /nfs/dbraw/zinc/58/14/18/556581418.db2.gz SUMBPUAQPZQJBA-XLIONFOSSA-N 1 1 439.909 5.113 50 0 IKAAMO CCN1CCC[C@@H]1C[NH2+][C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000034719601 556581421 /nfs/dbraw/zinc/58/14/21/556581421.db2.gz SUMBPUAQPZQJBA-XLIONFOSSA-N 1 1 439.909 5.113 50 0 IKAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000032974944 556596800 /nfs/dbraw/zinc/59/68/00/556596800.db2.gz KHCHRWBGVMVJGC-QHCPKHFHSA-N 1 1 444.623 5.019 50 0 IKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cccc2ccccc21 ZINC000016361467 556602705 /nfs/dbraw/zinc/60/27/05/556602705.db2.gz WRTUDUMGNASCKG-UHFFFAOYSA-N 1 1 439.534 5.553 50 0 IKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546953 556613944 /nfs/dbraw/zinc/61/39/44/556613944.db2.gz PIDPWWQKEFSWAY-NRFANRHFSA-N 1 1 437.952 6.460 50 0 IKAAMO CSc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547015 556613953 /nfs/dbraw/zinc/61/39/53/556613953.db2.gz IKVZGTDWIBFNMN-JOCHJYFZSA-N 1 1 449.601 6.529 50 0 IKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccc2Cl)c(NC(=O)c2ccco2)s1 ZINC000038546959 556613980 /nfs/dbraw/zinc/61/39/80/556613980.db2.gz NDNVVWGLXFQNER-OAQYLSRUSA-N 1 1 437.952 6.460 50 0 IKAAMO CCOc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547010 556614024 /nfs/dbraw/zinc/61/40/24/556614024.db2.gz BCCIZHGTBCAXEN-QHCPKHFHSA-N 1 1 447.560 6.205 50 0 IKAAMO Cc1cccc(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)[nH+]1 ZINC000038547410 556614333 /nfs/dbraw/zinc/61/43/33/556614333.db2.gz MELFJXAEQWTMHO-HSZRJFAPSA-N 1 1 444.560 5.772 50 0 IKAAMO Cc1cc[nH+]c(N[C@@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)c1 ZINC000038547408 556614348 /nfs/dbraw/zinc/61/43/48/556614348.db2.gz UVBHNBIOBAEYIH-HSZRJFAPSA-N 1 1 444.560 5.772 50 0 IKAAMO Cc1cccc(N[C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)[nH+]1 ZINC000038551042 556614647 /nfs/dbraw/zinc/61/46/47/556614647.db2.gz WZSXJVAYIVWABB-XMMPIXPASA-N 1 1 443.572 6.377 50 0 IKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000038551021 556614676 /nfs/dbraw/zinc/61/46/76/556614676.db2.gz ZXMSIUHKFRCLHH-HSZRJFAPSA-N 1 1 431.536 6.353 50 0 IKAAMO Clc1ccc(Oc2cccc(C[N@@H+](CCc3ccccc3)Cc3ccccc3)c2)cc1 ZINC000016663078 556621235 /nfs/dbraw/zinc/62/12/35/556621235.db2.gz PMFBAQCHJRUNGX-UHFFFAOYSA-N 1 1 427.975 7.377 50 0 IKAAMO COc1cc2c(cc1C[N@@H+]1CCc3cc(OC)c(OC)cc3C1)oc(C)c2-c1ccccc1 ZINC000016676398 556622393 /nfs/dbraw/zinc/62/23/93/556622393.db2.gz JWUKDFBNRFSUKU-UHFFFAOYSA-N 1 1 443.543 5.992 50 0 IKAAMO COc1cc2c(cc1C[N@H+]1CCc3cc(OC)c(OC)cc3C1)oc(C)c2-c1ccccc1 ZINC000016676398 556622394 /nfs/dbraw/zinc/62/23/94/556622394.db2.gz JWUKDFBNRFSUKU-UHFFFAOYSA-N 1 1 443.543 5.992 50 0 IKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1 ZINC000005056240 556628029 /nfs/dbraw/zinc/62/80/29/556628029.db2.gz RIWWJAOMOXKEGC-NBHGPNQESA-N 1 1 429.992 5.210 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)s1 ZINC000017095558 556659053 /nfs/dbraw/zinc/65/90/53/556659053.db2.gz BIAGAHGFHRCSSY-UHFFFAOYSA-N 1 1 427.573 5.230 50 0 IKAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1C ZINC000042995863 556660665 /nfs/dbraw/zinc/66/06/65/556660665.db2.gz NUTLXFAIPGMDQC-GOSISDBHSA-N 1 1 431.506 5.308 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248090522 556661453 /nfs/dbraw/zinc/66/14/53/556661453.db2.gz CDIYKANMJTXJDE-RPLLCQBOSA-N 1 1 429.608 5.100 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)cc1 ZINC000248093476 556662388 /nfs/dbraw/zinc/66/23/88/556662388.db2.gz HRYOTVQVQADQEG-XCZPVHLTSA-N 1 1 441.619 5.404 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]2c2ccccc2)cc1 ZINC000248099166 556664101 /nfs/dbraw/zinc/66/41/01/556664101.db2.gz JCSKEPZSDKRCKX-SVBPBHIXSA-N 1 1 430.592 5.602 50 0 IKAAMO COc1cc(OC)c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)c(OC)c1 ZINC000044069021 556665812 /nfs/dbraw/zinc/66/58/12/556665812.db2.gz NTHFAYYJLKWDAE-UHFFFAOYSA-N 1 1 440.564 7.152 50 0 IKAAMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCCC[C@H]12 ZINC000248264816 556677564 /nfs/dbraw/zinc/67/75/64/556677564.db2.gz XLGCRVRNEPZDCK-BQDHWQRKSA-N 1 1 445.007 5.074 50 0 IKAAMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCCC[C@@H]12 ZINC000248264817 556677690 /nfs/dbraw/zinc/67/76/90/556677690.db2.gz XLGCRVRNEPZDCK-WPCMGHOJSA-N 1 1 445.007 5.074 50 0 IKAAMO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000046106107 556691457 /nfs/dbraw/zinc/69/14/57/556691457.db2.gz JQNRVPAGEDMZSD-UHFFFAOYSA-N 1 1 435.531 5.207 50 0 IKAAMO CCOc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OCC ZINC000072331221 556728655 /nfs/dbraw/zinc/72/86/55/556728655.db2.gz KDCPQDSYZHOSEQ-UHFFFAOYSA-N 1 1 444.575 5.031 50 0 IKAAMO Clc1ccc(C[NH+]2CCN(c3ncnc4scc(-c5cccs5)c43)CC2)cc1 ZINC000054074897 556728876 /nfs/dbraw/zinc/72/88/76/556728876.db2.gz PAPIOPHQCDRZNX-UHFFFAOYSA-N 1 1 426.998 5.395 50 0 IKAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)c1C ZINC000019300096 556735185 /nfs/dbraw/zinc/73/51/85/556735185.db2.gz NUTLXFAIPGMDQC-SFHVURJKSA-N 1 1 431.506 5.308 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000055152844 556736030 /nfs/dbraw/zinc/73/60/30/556736030.db2.gz CYDSHMOAZYNRBG-UHFFFAOYSA-N 1 1 438.833 5.683 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000055152844 556736034 /nfs/dbraw/zinc/73/60/34/556736034.db2.gz CYDSHMOAZYNRBG-UHFFFAOYSA-N 1 1 438.833 5.683 50 0 IKAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3cccc4ccccc43)nc2)cnn1-c1cccc(F)c1 ZINC000055255516 556738994 /nfs/dbraw/zinc/73/89/94/556738994.db2.gz DYHYDSVHMFKHLM-GOSISDBHSA-N 1 1 437.522 5.781 50 0 IKAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3cccc4ccccc43)nc2)cnn1-c1cccc(F)c1 ZINC000055255523 556739243 /nfs/dbraw/zinc/73/92/43/556739243.db2.gz DYHYDSVHMFKHLM-SFHVURJKSA-N 1 1 437.522 5.781 50 0 IKAAMO COc1cc2c(cc1C[NH+]1CCN(c3ccc(C)cc3)CC1)oc(C)c2-c1ccccc1 ZINC000055447585 556741040 /nfs/dbraw/zinc/74/10/40/556741040.db2.gz HIQGAVPRNQASOS-UHFFFAOYSA-N 1 1 426.560 6.047 50 0 IKAAMO Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019371518 556748393 /nfs/dbraw/zinc/74/83/93/556748393.db2.gz ZEERBWXTQQBHPL-UHFFFAOYSA-N 1 1 437.587 5.375 50 0 IKAAMO C[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000061967349 556762925 /nfs/dbraw/zinc/76/29/25/556762925.db2.gz LBMQWGLSKLHDSA-FFYRRMKRSA-N 1 1 445.606 7.163 50 0 IKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160424 556764483 /nfs/dbraw/zinc/76/44/83/556764483.db2.gz WJJMKBPCVDAWRD-SANMLTNESA-N 1 1 441.575 5.334 50 0 IKAAMO Cc1ccccc1NC1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000058310315 556779552 /nfs/dbraw/zinc/77/95/52/556779552.db2.gz TXPZQQQBRGKCGR-UHFFFAOYSA-N 1 1 434.628 5.868 50 0 IKAAMO O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000059886282 556805198 /nfs/dbraw/zinc/80/51/98/556805198.db2.gz GVHQGCARHUWUJE-UHFFFAOYSA-N 1 1 436.905 5.171 50 0 IKAAMO COc1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC000003433996 556815446 /nfs/dbraw/zinc/81/54/46/556815446.db2.gz UFTRKPPPOOISDT-LLVKDONJSA-N 1 1 433.282 5.062 50 0 IKAAMO COc1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F ZINC000003433996 556815450 /nfs/dbraw/zinc/81/54/50/556815450.db2.gz UFTRKPPPOOISDT-LLVKDONJSA-N 1 1 433.282 5.062 50 0 IKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCCn2ccnc2)cc1 ZINC000021797911 556815657 /nfs/dbraw/zinc/81/56/57/556815657.db2.gz SHJUFPABOGLHBI-UHFFFAOYSA-N 1 1 428.927 5.440 50 0 IKAAMO CC(=O)c1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cs1 ZINC000064143416 556823199 /nfs/dbraw/zinc/82/31/99/556823199.db2.gz LPPZCECTZLGPFM-QFIPXVFZSA-N 1 1 425.642 5.393 50 0 IKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019596576 556830721 /nfs/dbraw/zinc/83/07/21/556830721.db2.gz OAYRFQJRDCQVAW-UHFFFAOYSA-N 1 1 448.566 6.076 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+](CC(O)c2ccc(Br)cc2)C3CCC1 ZINC000019595347 556830764 /nfs/dbraw/zinc/83/07/64/556830764.db2.gz ZMUNWOYASSHYBX-FGZHOGPDSA-N 1 1 425.370 5.139 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+](CC(O)c2ccc(Br)cc2)C3CCC1 ZINC000019595347 556830765 /nfs/dbraw/zinc/83/07/65/556830765.db2.gz ZMUNWOYASSHYBX-FGZHOGPDSA-N 1 1 425.370 5.139 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+](C[C@H](O)c2ccc(Br)cc2)[C@@H]3CCC1 ZINC000019595348 556830800 /nfs/dbraw/zinc/83/08/00/556830800.db2.gz ZMUNWOYASSHYBX-YADHBBJMSA-N 1 1 425.370 5.139 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)[C@@H]3CCC1 ZINC000019595348 556830802 /nfs/dbraw/zinc/83/08/02/556830802.db2.gz ZMUNWOYASSHYBX-YADHBBJMSA-N 1 1 425.370 5.139 50 0 IKAAMO Fc1ccc2nc(CN(Cc3cccnc3)CC3CC[NH+](C4CCCC4)CC3)ccc2c1 ZINC000067674693 556845976 /nfs/dbraw/zinc/84/59/76/556845976.db2.gz UIBKUHKDEXWYSQ-UHFFFAOYSA-N 1 1 432.587 5.426 50 0 IKAAMO COc1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)ccc1F ZINC000067856595 556847224 /nfs/dbraw/zinc/84/72/24/556847224.db2.gz LZKPFKZAURABKJ-QHCPKHFHSA-N 1 1 425.592 5.276 50 0 IKAAMO c1cnn(-c2cccc(CN(Cc3cccnc3)C[C@H]3CCC[N@H+](C4CCCCC4)C3)c2)c1 ZINC000067846711 556847316 /nfs/dbraw/zinc/84/73/16/556847316.db2.gz DNYQGOODPLIZLG-AREMUKBSSA-N 1 1 443.639 5.314 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Nc2cc(-c3cccc(F)c3)ncn2)c1 ZINC000033261086 556898524 /nfs/dbraw/zinc/89/85/24/556898524.db2.gz FEPRFOIARAKWRO-IBGZPJMESA-N 1 1 447.558 5.021 50 0 IKAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)c1OC ZINC000019791114 556915266 /nfs/dbraw/zinc/91/52/66/556915266.db2.gz KBELUSAKLZVQFF-KRWDZBQOSA-N 1 1 433.508 5.188 50 0 IKAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)c1OC ZINC000019791113 556915315 /nfs/dbraw/zinc/91/53/15/556915315.db2.gz KBELUSAKLZVQFF-QGZVFWFLSA-N 1 1 433.508 5.188 50 0 IKAAMO Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1Cl)N1NC=NC1=[NH+]2 ZINC000019799276 556916927 /nfs/dbraw/zinc/91/69/27/556916927.db2.gz ZQUHRYQPJMGUNJ-PKTZIBPZSA-N 1 1 447.325 5.798 50 0 IKAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)c(F)c1 ZINC000019838970 556929219 /nfs/dbraw/zinc/92/92/19/556929219.db2.gz NSGANBICGBUAJI-ZDUSSCGKSA-N 1 1 431.870 5.117 50 0 IKAAMO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019840600 556929480 /nfs/dbraw/zinc/92/94/80/556929480.db2.gz BGENOXQYKVQKTQ-UHFFFAOYSA-N 1 1 429.608 5.072 50 0 IKAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019855685 556931422 /nfs/dbraw/zinc/93/14/22/556931422.db2.gz NVAGGRBLSDEQHV-UHFFFAOYSA-N 1 1 437.587 5.264 50 0 IKAAMO O=C(N(c1ccccc1)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019862696 556933921 /nfs/dbraw/zinc/93/39/21/556933921.db2.gz GQNVDUOOGWDWKO-UHFFFAOYSA-N 1 1 447.582 6.352 50 0 IKAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c(Cl)c1 ZINC000019892145 556939770 /nfs/dbraw/zinc/93/97/70/556939770.db2.gz PNEVKSZDOBTZKD-GOTSBHOMSA-N 1 1 447.325 5.798 50 0 IKAAMO Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c(Cl)c1 ZINC000019892143 556939847 /nfs/dbraw/zinc/93/98/47/556939847.db2.gz PNEVKSZDOBTZKD-DHIUTWEWSA-N 1 1 447.325 5.798 50 0 IKAAMO Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000019897860 556940969 /nfs/dbraw/zinc/94/09/69/556940969.db2.gz ZGGXVPBFIYZNBO-XXBNENTESA-N 1 1 444.556 5.011 50 0 IKAAMO CC(C)(C)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020065936 556978126 /nfs/dbraw/zinc/97/81/26/556978126.db2.gz ZCDIHHJXGNEULZ-UHFFFAOYSA-N 1 1 442.603 5.297 50 0 IKAAMO CCOc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020083211 556978956 /nfs/dbraw/zinc/97/89/56/556978956.db2.gz OSSRPHQRWXSCLL-UHFFFAOYSA-N 1 1 431.605 5.189 50 0 IKAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000020149238 556990666 /nfs/dbraw/zinc/99/06/66/556990666.db2.gz SBPTYAHTDGHEJF-OAQYLSRUSA-N 1 1 445.563 5.277 50 0 IKAAMO c1ccc(C(C[N@H+]2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)c2ccccc2)cc1 ZINC000020166120 556993761 /nfs/dbraw/zinc/99/37/61/556993761.db2.gz WCADAWCJNRQLBH-MUUNZHRXSA-N 1 1 425.620 5.105 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC000020208177 556998223 /nfs/dbraw/zinc/99/82/23/556998223.db2.gz GVBCOOOEUMHINK-FQEVSTJZSA-N 1 1 436.499 5.676 50 0 IKAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000020210174 556998707 /nfs/dbraw/zinc/99/87/07/556998707.db2.gz GRZJBKIQVYSHKH-ZDUSSCGKSA-N 1 1 431.870 5.117 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000043220754 557022822 /nfs/dbraw/zinc/02/28/22/557022822.db2.gz XZQRGZHBTOEPDS-QHCPKHFHSA-N 1 1 447.560 6.069 50 0 IKAAMO Cc1cc[nH+]c(N[C@H](c2ccsc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000043220774 557023393 /nfs/dbraw/zinc/02/33/93/557023393.db2.gz XBFCGBMCHAYRRM-JOCHJYFZSA-N 1 1 449.601 6.439 50 0 IKAAMO CCCCc1nn2c(nc(C[N@H+](Cc3ccc(C(C)C)cc3)CC(C)C)cc2=O)s1 ZINC000046032528 557025061 /nfs/dbraw/zinc/02/50/61/557025061.db2.gz ADWQRYRHEDWOLV-UHFFFAOYSA-N 1 1 426.630 5.275 50 0 IKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCc3ccccc3C2)cc1 ZINC000021797939 557026857 /nfs/dbraw/zinc/02/68/57/557026857.db2.gz RMPQGLRSXHYDTH-UHFFFAOYSA-N 1 1 432.527 5.659 50 0 IKAAMO CCC[N@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000010841972 557035922 /nfs/dbraw/zinc/03/59/22/557035922.db2.gz XHVIDAVPESYXMG-UHFFFAOYSA-N 1 1 446.507 5.003 50 0 IKAAMO CCC[N@@H+](Cc1nnc(-c2ccco2)o1)Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 ZINC000010841972 557035926 /nfs/dbraw/zinc/03/59/26/557035926.db2.gz XHVIDAVPESYXMG-UHFFFAOYSA-N 1 1 446.507 5.003 50 0 IKAAMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000022936843 557052995 /nfs/dbraw/zinc/05/29/95/557052995.db2.gz BANBPNNLXARKHO-IBGZPJMESA-N 1 1 437.809 5.255 50 0 IKAAMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000022936843 557052999 /nfs/dbraw/zinc/05/29/99/557052999.db2.gz BANBPNNLXARKHO-IBGZPJMESA-N 1 1 437.809 5.255 50 0 IKAAMO Cc1cccc(OC2CC[NH+](Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)c1C ZINC000048287537 557053187 /nfs/dbraw/zinc/05/31/87/557053187.db2.gz WLZJXRVGBDBTTD-UHFFFAOYSA-N 1 1 445.588 5.083 50 0 IKAAMO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000017309745 557054365 /nfs/dbraw/zinc/05/43/65/557054365.db2.gz YDPYRFQPUWKMQH-UHFFFAOYSA-N 1 1 438.742 5.219 50 0 IKAAMO Cc1ccc(OC2CC[NH+](Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1C ZINC000048289161 557054460 /nfs/dbraw/zinc/05/44/60/557054460.db2.gz MRNVANNIEJJJLR-UHFFFAOYSA-N 1 1 445.588 5.083 50 0 IKAAMO CC[N@@H+]1CCc2c(oc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=S)c32)C1 ZINC000033288732 557066146 /nfs/dbraw/zinc/06/61/46/557066146.db2.gz WOHUNZQMHSDJEV-UHFFFAOYSA-N 1 1 447.629 6.077 50 0 IKAAMO CC[N@H+]1CCc2c(oc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=S)c32)C1 ZINC000033288732 557066149 /nfs/dbraw/zinc/06/61/49/557066149.db2.gz WOHUNZQMHSDJEV-UHFFFAOYSA-N 1 1 447.629 6.077 50 0 IKAAMO O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000048343448 557071343 /nfs/dbraw/zinc/07/13/43/557071343.db2.gz JMSBPJXVSNBOCI-OAQYLSRUSA-N 1 1 428.536 5.181 50 0 IKAAMO O=c1c(C[N@@H+](CCc2ccccc2)Cc2ccccc2)coc2c(Cl)cc(Cl)cc12 ZINC000023281766 557081760 /nfs/dbraw/zinc/08/17/60/557081760.db2.gz VZPXBPWDCCCJAD-UHFFFAOYSA-N 1 1 438.354 6.345 50 0 IKAAMO c1nc(-c2ccccc2)sc1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000023366475 557087881 /nfs/dbraw/zinc/08/78/81/557087881.db2.gz NQOQAZWAJQWBSU-UHFFFAOYSA-N 1 1 446.664 5.862 50 0 IKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4ccccc4F)ccc3[nH+]2)cc1 ZINC000033310110 557093326 /nfs/dbraw/zinc/09/33/26/557093326.db2.gz SUNCQMDBVPHMBC-UHFFFAOYSA-N 1 1 441.506 5.438 50 0 IKAAMO Cc1ccc([C@@H](C(=O)NC2CCCCC2)[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629719 557115877 /nfs/dbraw/zinc/11/58/77/557115877.db2.gz VNCMFBNLMGJGRH-NDEPHWFRSA-N 1 1 426.604 6.187 50 0 IKAAMO COc1c2c(cc3c1[C@H](CC(=O)C1CCCCCCCCCCC1)[N@H+](C)CC3)OCO2 ZINC000049586663 557116530 /nfs/dbraw/zinc/11/65/30/557116530.db2.gz URAXPBQLFVGQED-NRFANRHFSA-N 1 1 429.601 5.833 50 0 biogenic IKAAMO COc1c2c(cc3c1[C@H](CC(=O)C1CCCCCCCCCCC1)[N@@H+](C)CC3)OCO2 ZINC000049586663 557116533 /nfs/dbraw/zinc/11/65/33/557116533.db2.gz URAXPBQLFVGQED-NRFANRHFSA-N 1 1 429.601 5.833 50 0 biogenic IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000017782923 557122203 /nfs/dbraw/zinc/12/22/03/557122203.db2.gz QDXBFWQKAZIOBG-HDICACEKSA-N 1 1 430.983 6.532 50 0 IKAAMO COc1cccc(OC2=CC[N@@H+](CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000095918157 557161612 /nfs/dbraw/zinc/16/16/12/557161612.db2.gz BAKZEMODIQFPJI-UHFFFAOYSA-N 1 1 449.541 6.554 50 0 IKAAMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2nc3ccccc3c(-c3ccccc3)n2)C2CC2)cc1 ZINC000024865738 557175250 /nfs/dbraw/zinc/17/52/50/557175250.db2.gz GBQVGOFRIPZLRI-UHFFFAOYSA-N 1 1 448.570 5.354 50 0 IKAAMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2nc3ccccc3c(-c3ccccc3)n2)C2CC2)cc1 ZINC000024865738 557175252 /nfs/dbraw/zinc/17/52/52/557175252.db2.gz GBQVGOFRIPZLRI-UHFFFAOYSA-N 1 1 448.570 5.354 50 0 IKAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl ZINC000011563525 557201284 /nfs/dbraw/zinc/20/12/84/557201284.db2.gz BGBAYYPOMIRUOG-JOCHJYFZSA-N 1 1 446.938 5.090 50 0 IKAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000025575468 557215386 /nfs/dbraw/zinc/21/53/86/557215386.db2.gz LJSOACZAHXWTPC-PKTZIBPZSA-N 1 1 447.325 5.798 50 0 IKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783741 557226063 /nfs/dbraw/zinc/22/60/63/557226063.db2.gz YKVKICAZLCIFEB-PKTZIBPZSA-N 1 1 430.870 5.283 50 0 IKAAMO COc1ccc(Cl)cc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000072265269 557250474 /nfs/dbraw/zinc/25/04/74/557250474.db2.gz XKYMLGBFFVIOKD-AREMUKBSSA-N 1 1 448.994 5.513 50 0 IKAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014129748 557308101 /nfs/dbraw/zinc/30/81/01/557308101.db2.gz RQWRIEHNSGOXPR-HXUWFJFHSA-N 1 1 437.634 5.454 50 0 IKAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000014129748 557308105 /nfs/dbraw/zinc/30/81/05/557308105.db2.gz RQWRIEHNSGOXPR-HXUWFJFHSA-N 1 1 437.634 5.454 50 0 IKAAMO Cc1cccc(N2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@@H]2C)c1 ZINC000102343709 557319653 /nfs/dbraw/zinc/31/96/53/557319653.db2.gz JLYCXJWRLSBINT-XZOQPEGZSA-N 1 1 443.591 5.112 50 0 IKAAMO Cc1cccc(N2CC[N@H+]([C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@@H]2C)c1 ZINC000102343709 557319659 /nfs/dbraw/zinc/31/96/59/557319659.db2.gz JLYCXJWRLSBINT-XZOQPEGZSA-N 1 1 443.591 5.112 50 0 IKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033326742 557333245 /nfs/dbraw/zinc/33/32/45/557333245.db2.gz ZXFHYPKFDINHQH-UHFFFAOYSA-N 1 1 430.556 6.226 50 0 IKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033326742 557333248 /nfs/dbraw/zinc/33/32/48/557333248.db2.gz ZXFHYPKFDINHQH-UHFFFAOYSA-N 1 1 430.556 6.226 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000023333031 557346651 /nfs/dbraw/zinc/34/66/51/557346651.db2.gz AKSVVYYSNWJEKC-XMMPIXPASA-N 1 1 439.386 5.849 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000023334203 557347949 /nfs/dbraw/zinc/34/79/49/557347949.db2.gz WEQVFKSFZWRZDD-XMMPIXPASA-N 1 1 438.493 5.561 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000023335300 557350318 /nfs/dbraw/zinc/35/03/18/557350318.db2.gz SBKBAFWYXIPRFY-DEOSSOPVSA-N 1 1 438.493 5.561 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3csc4ccccc34)CC2)cc1 ZINC000023455689 557362452 /nfs/dbraw/zinc/36/24/52/557362452.db2.gz FQPBBLNBOVWGCU-AREMUKBSSA-N 1 1 426.585 5.757 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](C)O)[C@H](C)CC ZINC000105006833 557471741 /nfs/dbraw/zinc/47/17/41/557471741.db2.gz FMQIQCHCXLBRLV-UXHICEINSA-N 1 1 437.584 5.217 50 0 IKAAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(F)c1)C(C)C ZINC000105050508 557474741 /nfs/dbraw/zinc/47/47/41/557474741.db2.gz NUMPGQUHOIMTSA-QPPBQGQZSA-N 1 1 430.995 5.588 50 0 IKAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000109002029 557545072 /nfs/dbraw/zinc/54/50/72/557545072.db2.gz ICMLZKZVPZZXCA-NHCUHLMSSA-N 1 1 429.564 5.151 50 0 IKAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000109002029 557545074 /nfs/dbraw/zinc/54/50/74/557545074.db2.gz ICMLZKZVPZZXCA-NHCUHLMSSA-N 1 1 429.564 5.151 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c1C ZINC000038546738 557591497 /nfs/dbraw/zinc/59/14/97/557591497.db2.gz YXQRRCLXUFNMHY-OAQYLSRUSA-N 1 1 443.613 5.155 50 0 IKAAMO COc1cccc(NC(=O)[C@H]2C[C@@H](c3ccccc3)C[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000040424919 557725907 /nfs/dbraw/zinc/72/59/07/557725907.db2.gz DBPHXVFOYLMSPT-RTWAWAEBSA-N 1 1 436.502 5.218 50 0 IKAAMO Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843631 557811192 /nfs/dbraw/zinc/81/11/92/557811192.db2.gz AJWLGUNRLUABCH-PKTZIBPZSA-N 1 1 430.870 5.283 50 0 IKAAMO Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843633 557811307 /nfs/dbraw/zinc/81/13/07/557811307.db2.gz AJWLGUNRLUABCH-DHIUTWEWSA-N 1 1 430.870 5.283 50 0 IKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)C1 ZINC000008583230 562949773 /nfs/dbraw/zinc/94/97/73/562949773.db2.gz LOKUFWAMTJUEKD-GOSISDBHSA-N 1 1 437.584 5.377 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587630 562950370 /nfs/dbraw/zinc/95/03/70/562950370.db2.gz UTGAZEBKEMOYDD-KRWDZBQOSA-N 1 1 442.028 5.967 50 0 aggregator IKAAMO CCc1ccccc1Nc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c2ccccc2n1 ZINC000008595361 562953400 /nfs/dbraw/zinc/95/34/00/562953400.db2.gz WDEYVLOWARINKQ-UHFFFAOYSA-N 1 1 444.623 5.925 50 0 IKAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 ZINC000008606710 562957180 /nfs/dbraw/zinc/95/71/80/562957180.db2.gz VUQOWQPZKIYUEH-UHFFFAOYSA-N 1 1 448.611 5.357 50 0 IKAAMO CCn1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c1C ZINC000014949068 563015565 /nfs/dbraw/zinc/01/55/65/563015565.db2.gz PZHQTEVQGUAXTM-QFIPXVFZSA-N 1 1 441.579 5.210 50 0 IKAAMO O=P1(NCCC[NH+]2CCOCC2)C=C(c2ccccc2)SC(c2ccccc2)=C1 ZINC000025326074 568653376 /nfs/dbraw/zinc/65/33/76/568653376.db2.gz FZZLDJBOYXNMLE-UHFFFAOYSA-N 1 1 426.522 5.320 50 0 IKAAMO CCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032541 568786450 /nfs/dbraw/zinc/78/64/50/568786450.db2.gz BKDFVZWONPTXHN-UHFFFAOYSA-N 1 1 446.620 5.429 50 0 IKAAMO CCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000046032541 568786453 /nfs/dbraw/zinc/78/64/53/568786453.db2.gz BKDFVZWONPTXHN-UHFFFAOYSA-N 1 1 446.620 5.429 50 0 IKAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c2ccccc21 ZINC000015678427 568805203 /nfs/dbraw/zinc/80/52/03/568805203.db2.gz FXJSUQSZYLNGIQ-PSWAGMNNSA-N 1 1 445.651 5.700 50 0 IKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)c1 ZINC000001447551 568817661 /nfs/dbraw/zinc/81/76/61/568817661.db2.gz BIUBSRZFWGNIHV-IBGZPJMESA-N 1 1 438.453 5.697 50 0 IKAAMO Cc1ccc2nc(CCc3ccc(NC(=O)c4n[nH]c5c4CCc4ccccc4-5)cc3)[nH]c2c1 ZINC000015861917 568848413 /nfs/dbraw/zinc/84/84/13/568848413.db2.gz NZZMXONUSUUNBO-UHFFFAOYSA-N 1 1 447.542 5.398 50 0 IKAAMO Clc1ccc(-c2nnc([C@H](c3ccccc3)[N@H+]3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000015864519 568850141 /nfs/dbraw/zinc/85/01/41/568850141.db2.gz FYQYBNZAOBSWBP-DEOSSOPVSA-N 1 1 427.935 6.269 50 0 IKAAMO Clc1ccc(-c2nnc([C@H](c3ccccc3)[N@@H+]3CC=C(c4ccccc4)CC3)o2)cc1 ZINC000015864519 568850143 /nfs/dbraw/zinc/85/01/43/568850143.db2.gz FYQYBNZAOBSWBP-DEOSSOPVSA-N 1 1 427.935 6.269 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3cccc(C)c3)oc1C)[C@@H]2c1ccccc1 ZINC000015864863 568850358 /nfs/dbraw/zinc/85/03/58/568850358.db2.gz NSRSCNOXAQWSQX-AREMUKBSSA-N 1 1 442.628 7.038 50 0 IKAAMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](c1ccc(C3CCCCC3)cc1)C(C)C)[nH]c2=O ZINC000016046622 568868823 /nfs/dbraw/zinc/86/88/23/568868823.db2.gz CUZLZOIMKUUONN-RUZDIDTESA-N 1 1 447.579 5.657 50 0 IKAAMO CC[C@@H](C)[C@H]([NH3+])C(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1Cl)c2=O ZINC000026772128 568916594 /nfs/dbraw/zinc/91/65/94/568916594.db2.gz FRDOVDLKLQQWCJ-WYRIXSBYSA-N 1 1 436.291 5.171 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657755 568942341 /nfs/dbraw/zinc/94/23/41/568942341.db2.gz JQQZIMMGJFFVMD-QGZVFWFLSA-N 1 1 430.017 5.404 50 0 IKAAMO Cc1ccc(C)c(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC(C)C)co2)c1 ZINC000036065667 568945309 /nfs/dbraw/zinc/94/53/09/568945309.db2.gz RCNQYMXOZRGOHL-UHFFFAOYSA-N 1 1 444.579 5.156 50 0 IKAAMO Cc1ccc(C)c(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC(C)C)co2)c1 ZINC000036065667 568945310 /nfs/dbraw/zinc/94/53/10/568945310.db2.gz RCNQYMXOZRGOHL-UHFFFAOYSA-N 1 1 444.579 5.156 50 0 IKAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069133 568945445 /nfs/dbraw/zinc/94/54/45/568945445.db2.gz FFMQXSPOBFMTJS-MRXNPFEDSA-N 1 1 449.473 5.263 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069133 568945448 /nfs/dbraw/zinc/94/54/48/568945448.db2.gz FFMQXSPOBFMTJS-MRXNPFEDSA-N 1 1 449.473 5.263 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801223 568960922 /nfs/dbraw/zinc/96/09/22/568960922.db2.gz CXZCHOKMDABEFV-UHFFFAOYSA-N 1 1 445.523 5.254 50 0 IKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c(C)c1 ZINC000064801320 568960929 /nfs/dbraw/zinc/96/09/29/568960929.db2.gz UGQVFJCECVLCBA-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064801323 568960952 /nfs/dbraw/zinc/96/09/52/568960952.db2.gz IRXXBDAXHAAPNO-UHFFFAOYSA-N 1 1 430.556 5.725 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801301 568960989 /nfs/dbraw/zinc/96/09/89/568960989.db2.gz WPXRVLKVLJRYKT-UHFFFAOYSA-N 1 1 436.947 5.816 50 0 IKAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)cc1 ZINC000064801206 568961008 /nfs/dbraw/zinc/96/10/08/568961008.db2.gz VQTVQJWKOBHPHD-UHFFFAOYSA-N 1 1 431.540 5.534 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800872 568961251 /nfs/dbraw/zinc/96/12/51/568961251.db2.gz YGIDOUYAMKDCIE-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800865 568961255 /nfs/dbraw/zinc/96/12/55/568961255.db2.gz NEYIEKVHMFXSLA-UHFFFAOYSA-N 1 1 425.895 5.174 50 0 IKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064801508 568961437 /nfs/dbraw/zinc/96/14/37/568961437.db2.gz JXMUTERGDOOMIL-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800986 568961448 /nfs/dbraw/zinc/96/14/48/568961448.db2.gz WYLNJGOKBWIGLZ-UHFFFAOYSA-N 1 1 439.922 5.564 50 0 IKAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(C)[nH+]1 ZINC000064801773 568961494 /nfs/dbraw/zinc/96/14/94/568961494.db2.gz YAAUZKASPUDWBK-UHFFFAOYSA-N 1 1 439.585 5.059 50 0 IKAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064802007 568961571 /nfs/dbraw/zinc/96/15/71/568961571.db2.gz MOOCPGBZKMTWJL-UHFFFAOYSA-N 1 1 437.569 5.074 50 0 IKAAMO COCC[N@H+](Cc1ccc(C(O)(CC2CCC2)CC2CCC2)o1)Cc1cccc(OC)c1 ZINC000036156159 568965205 /nfs/dbraw/zinc/96/52/05/568965205.db2.gz LZFNHJRJLBWUAA-UHFFFAOYSA-N 1 1 441.612 5.505 50 0 IKAAMO COCC[N@@H+](Cc1ccc(C(O)(CC2CCC2)CC2CCC2)o1)Cc1cccc(OC)c1 ZINC000036156159 568965208 /nfs/dbraw/zinc/96/52/08/568965208.db2.gz LZFNHJRJLBWUAA-UHFFFAOYSA-N 1 1 441.612 5.505 50 0 IKAAMO COc1ccc(C[N@@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)C2CC2)cc1 ZINC000036156171 568965237 /nfs/dbraw/zinc/96/52/37/568965237.db2.gz MZASJXQWATXLTD-UHFFFAOYSA-N 1 1 439.555 5.737 50 0 IKAAMO CC(C)[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccc(F)cc1 ZINC000036167743 568968475 /nfs/dbraw/zinc/96/84/75/568968475.db2.gz UWTOINWGQOLXRY-UHFFFAOYSA-N 1 1 441.593 6.237 50 0 IKAAMO CCCN(CCC)C(=O)CSC1=[NH+]C(C)(C)C=C(C=Cc2ccc(OCC)cc2)N1 ZINC000006750217 568972274 /nfs/dbraw/zinc/97/22/74/568972274.db2.gz RRTLBMMSQNVBIV-FMIVXFBMSA-N 1 1 429.630 5.102 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000169679932 568990596 /nfs/dbraw/zinc/99/05/96/568990596.db2.gz FTEMDHPRYDJKCC-QPPBQGQZSA-N 1 1 428.642 5.113 50 0 IKAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680071 568990854 /nfs/dbraw/zinc/99/08/54/568990854.db2.gz KBCMZDMWWUAEON-FPOVZHCZSA-N 1 1 437.584 5.259 50 0 IKAAMO COc1ccc(CN2C[C@H](C[NH+]3CCCCC3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000169679900 568991303 /nfs/dbraw/zinc/99/13/03/568991303.db2.gz YYCBLFJRKNEGLY-XUZZJYLKSA-N 1 1 432.530 5.416 50 0 IKAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169679896 568991323 /nfs/dbraw/zinc/99/13/23/568991323.db2.gz ZNWDLHREOQWNNJ-UKILVPOCSA-N 1 1 440.578 5.670 50 0 IKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036301832 568994104 /nfs/dbraw/zinc/99/41/04/568994104.db2.gz HOYMASIGWFVPRU-QGZVFWFLSA-N 1 1 425.960 5.219 50 0 IKAAMO CCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305120 568994937 /nfs/dbraw/zinc/99/49/37/568994937.db2.gz MKIMOVFFRNCJCS-NRFANRHFSA-N 1 1 439.987 5.658 50 0 IKAAMO C[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305233 568994956 /nfs/dbraw/zinc/99/49/56/568994956.db2.gz YXWFEPOFDRIDNC-QGZVFWFLSA-N 1 1 425.960 5.126 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)CC1CC1 ZINC000036305224 568994999 /nfs/dbraw/zinc/99/49/99/568994999.db2.gz LOJBANWOJCUDGX-OAQYLSRUSA-N 1 1 439.987 5.516 50 0 IKAAMO CCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306092 568995354 /nfs/dbraw/zinc/99/53/54/568995354.db2.gz CKEUJNXPJXTBFR-NRFANRHFSA-N 1 1 437.584 5.259 50 0 IKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000036313723 568998739 /nfs/dbraw/zinc/99/87/39/568998739.db2.gz HGHSNCLWEMCHAT-QHCPKHFHSA-N 1 1 449.595 5.497 50 0 IKAAMO C[N@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036340961 569079165 /nfs/dbraw/zinc/07/91/65/569079165.db2.gz RMEUIOVDWIYDHT-XMMPIXPASA-N 1 1 435.930 5.289 50 0 IKAAMO C[N@@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036340961 569079166 /nfs/dbraw/zinc/07/91/66/569079166.db2.gz RMEUIOVDWIYDHT-XMMPIXPASA-N 1 1 435.930 5.289 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC(C)C ZINC000036342026 569079601 /nfs/dbraw/zinc/07/96/01/569079601.db2.gz QYUPAUDVHFIHRO-QFIPXVFZSA-N 1 1 425.548 5.341 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341944 569079637 /nfs/dbraw/zinc/07/96/37/569079637.db2.gz YYOQSUYPECHQKI-QFIPXVFZSA-N 1 1 442.003 5.855 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343895 569079895 /nfs/dbraw/zinc/07/98/95/569079895.db2.gz NJTJXVQCMNXOEG-SANMLTNESA-N 1 1 445.994 5.767 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343895 569079896 /nfs/dbraw/zinc/07/98/96/569079896.db2.gz NJTJXVQCMNXOEG-SANMLTNESA-N 1 1 445.994 5.767 50 0 IKAAMO CCOc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036344112 569080087 /nfs/dbraw/zinc/08/00/87/569080087.db2.gz RJGJRMPIMRJNAD-MHZLTWQESA-N 1 1 441.575 5.203 50 0 IKAAMO CCOc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036344112 569080088 /nfs/dbraw/zinc/08/00/88/569080088.db2.gz RJGJRMPIMRJNAD-MHZLTWQESA-N 1 1 441.575 5.203 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344671 569080200 /nfs/dbraw/zinc/08/02/00/569080200.db2.gz VRBGAZFPMHESPR-MUUNZHRXSA-N 1 1 439.603 5.730 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3cc(C)ccc3C)C2)c1 ZINC000036344671 569080202 /nfs/dbraw/zinc/08/02/02/569080202.db2.gz VRBGAZFPMHESPR-MUUNZHRXSA-N 1 1 439.603 5.730 50 0 IKAAMO COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036345673 569080583 /nfs/dbraw/zinc/08/05/83/569080583.db2.gz QBKPNMCBUBPTJP-MHZLTWQESA-N 1 1 441.575 5.122 50 0 IKAAMO COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036345673 569080584 /nfs/dbraw/zinc/08/05/84/569080584.db2.gz QBKPNMCBUBPTJP-MHZLTWQESA-N 1 1 441.575 5.122 50 0 IKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346014 569080823 /nfs/dbraw/zinc/08/08/23/569080823.db2.gz LLANFBRWELVTCH-JOCHJYFZSA-N 1 1 437.559 5.628 50 0 IKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345875 569080861 /nfs/dbraw/zinc/08/08/61/569080861.db2.gz DHWZOXLYFRLZFF-DEOSSOPVSA-N 1 1 433.596 5.797 50 0 IKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346055 569080884 /nfs/dbraw/zinc/08/08/84/569080884.db2.gz DAVJEDFZINCMAO-NRFANRHFSA-N 1 1 425.548 5.485 50 0 IKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@@H](C)O)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346487 569081195 /nfs/dbraw/zinc/08/11/95/569081195.db2.gz GVVCHNKEVAALHX-LJQANCHMSA-N 1 1 435.568 5.142 50 0 IKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@@H+](C[C@@H](C)O)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346487 569081197 /nfs/dbraw/zinc/08/11/97/569081197.db2.gz GVVCHNKEVAALHX-LJQANCHMSA-N 1 1 435.568 5.142 50 0 IKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346328 569081227 /nfs/dbraw/zinc/08/12/27/569081227.db2.gz CGWWVPRBYLKCMS-HSZRJFAPSA-N 1 1 437.559 5.628 50 0 IKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@H+](C[C@H](C)O)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346488 569081354 /nfs/dbraw/zinc/08/13/54/569081354.db2.gz GVVCHNKEVAALHX-IBGZPJMESA-N 1 1 435.568 5.142 50 0 IKAAMO COc1ccc(-n2nc(C(C)C)c(C[N@@H+](C[C@H](C)O)C3CC3)c2Oc2ccccc2)cc1 ZINC000036346488 569081355 /nfs/dbraw/zinc/08/13/55/569081355.db2.gz GVVCHNKEVAALHX-IBGZPJMESA-N 1 1 435.568 5.142 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@H](O)CC ZINC000036346753 569081469 /nfs/dbraw/zinc/08/14/69/569081469.db2.gz FMNWOGPFRLXQRH-OAQYLSRUSA-N 1 1 429.511 5.234 50 0 IKAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000036347865 569081705 /nfs/dbraw/zinc/08/17/05/569081705.db2.gz ALVKVOIHRDEAKZ-RUZDIDTESA-N 1 1 448.607 5.807 50 0 IKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000036347865 569081707 /nfs/dbraw/zinc/08/17/07/569081707.db2.gz ALVKVOIHRDEAKZ-RUZDIDTESA-N 1 1 448.607 5.807 50 0 IKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347885 569081730 /nfs/dbraw/zinc/08/17/30/569081730.db2.gz ODCXNTASJADNBN-LJAQVGFWSA-N 1 1 438.571 6.674 50 0 IKAAMO O=C(NCc1ccccc1)Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000065114719 569106600 /nfs/dbraw/zinc/10/66/00/569106600.db2.gz JRKGTLXJNZQXFN-UHFFFAOYSA-N 1 1 438.531 5.060 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000006913226 569106899 /nfs/dbraw/zinc/10/68/99/569106899.db2.gz PUPCOGGUMHUMBM-VWLOTQADSA-N 1 1 431.624 5.691 50 0 IKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)Nc4ccccc4)ccc3[nH+]2)cc1 ZINC000065320925 569136356 /nfs/dbraw/zinc/13/63/56/569136356.db2.gz BKUUZOTWOUHLER-UHFFFAOYSA-N 1 1 438.531 5.691 50 0 IKAAMO CC(C)CC(=O)Nc1ccc(-c2csc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065553991 569139761 /nfs/dbraw/zinc/13/97/61/569139761.db2.gz ABLKGEZCMPZTHA-HSZRJFAPSA-N 1 1 435.593 5.368 50 0 IKAAMO CC(C)CC(=O)Nc1ccc(-c2csc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065553991 569139762 /nfs/dbraw/zinc/13/97/62/569139762.db2.gz ABLKGEZCMPZTHA-HSZRJFAPSA-N 1 1 435.593 5.368 50 0 IKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000251180152 569158205 /nfs/dbraw/zinc/15/82/05/569158205.db2.gz RIWWJAOMOXKEGC-LRQRDZAKSA-N 1 1 429.992 5.210 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662050 569160737 /nfs/dbraw/zinc/16/07/37/569160737.db2.gz QAMLRPXMMZCXPN-MOPGFXCFSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662050 569160739 /nfs/dbraw/zinc/16/07/39/569160739.db2.gz QAMLRPXMMZCXPN-MOPGFXCFSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662090 569160905 /nfs/dbraw/zinc/16/09/05/569160905.db2.gz GCSKBMGZXBBUQY-PMACEKPBSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662090 569160908 /nfs/dbraw/zinc/16/09/08/569160908.db2.gz GCSKBMGZXBBUQY-PMACEKPBSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000016837185 569162475 /nfs/dbraw/zinc/16/24/75/569162475.db2.gz AERCLZAZAGGPJZ-UHFFFAOYSA-N 1 1 447.585 5.468 50 0 IKAAMO CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000016837185 569162477 /nfs/dbraw/zinc/16/24/77/569162477.db2.gz AERCLZAZAGGPJZ-UHFFFAOYSA-N 1 1 447.585 5.468 50 0 IKAAMO CN(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000016837191 569162541 /nfs/dbraw/zinc/16/25/41/569162541.db2.gz SSRDDZXNLAQDQJ-UHFFFAOYSA-N 1 1 448.617 5.331 50 0 IKAAMO CN(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000016837191 569162542 /nfs/dbraw/zinc/16/25/42/569162542.db2.gz SSRDDZXNLAQDQJ-UHFFFAOYSA-N 1 1 448.617 5.331 50 0 IKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016837159 569162556 /nfs/dbraw/zinc/16/25/56/569162556.db2.gz DMJWWDZAEZETPQ-UHFFFAOYSA-N 1 1 439.993 5.918 50 0 IKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016837159 569162557 /nfs/dbraw/zinc/16/25/57/569162557.db2.gz DMJWWDZAEZETPQ-UHFFFAOYSA-N 1 1 439.993 5.918 50 0 IKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000016916145 569166247 /nfs/dbraw/zinc/16/62/47/569166247.db2.gz OKHDUJVVWXHZNS-UHFFFAOYSA-N 1 1 435.574 5.274 50 0 IKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000016916145 569166248 /nfs/dbraw/zinc/16/62/48/569166248.db2.gz OKHDUJVVWXHZNS-UHFFFAOYSA-N 1 1 435.574 5.274 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000000638173 569180293 /nfs/dbraw/zinc/18/02/93/569180293.db2.gz DWPXVRNTXHVQOB-RPWUZVMVSA-N 1 1 426.907 5.453 50 0 IKAAMO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(F)c3F)CC2)cc1 ZINC000037580750 569202018 /nfs/dbraw/zinc/20/20/18/569202018.db2.gz LPVDCLXTIYONIB-UHFFFAOYSA-N 1 1 438.493 5.724 50 0 IKAAMO Cc1ccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587618 569202081 /nfs/dbraw/zinc/20/20/81/569202081.db2.gz GCWYTBCFMAYZQE-UHFFFAOYSA-N 1 1 426.532 5.646 50 0 IKAAMO C[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@H](C)CC[C@@H]4[C@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000252640379 569208611 /nfs/dbraw/zinc/20/86/11/569208611.db2.gz YSOKTNCRCPDOCA-HULFCKJFSA-N 1 1 427.673 5.162 50 0 IKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)c1 ZINC000002974727 569212917 /nfs/dbraw/zinc/21/29/17/569212917.db2.gz HZRMRYNAMFHCKQ-UHFFFAOYSA-N 1 1 434.499 5.737 50 0 IKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000002254025 569216705 /nfs/dbraw/zinc/21/67/05/569216705.db2.gz QPEYPTRPRMVWMZ-PKTZIBPZSA-N 1 1 448.860 5.422 50 0 IKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000002256140 569216930 /nfs/dbraw/zinc/21/69/30/569216930.db2.gz LVQQGWHHVQFJNP-PKTZIBPZSA-N 1 1 430.870 5.283 50 0 IKAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)N1CCCC[C@H]1c1nccs1 ZINC000244842312 569269436 /nfs/dbraw/zinc/26/94/36/569269436.db2.gz UOIYYTHRBJOCPP-UPVQGACJSA-N 1 1 447.604 5.223 50 0 IKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC(F)(F)F)cc1)[NH2+]C2 ZINC000054979031 569272221 /nfs/dbraw/zinc/27/22/21/569272221.db2.gz YSARIKOVGNZOPH-QFIPXVFZSA-N 1 1 432.442 5.366 50 0 IKAAMO C[C@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OC[N@H+]2C1 ZINC000253594901 569273228 /nfs/dbraw/zinc/27/32/28/569273228.db2.gz GRMUAQMHJKQVFL-LGLICAKISA-N 1 1 427.673 5.629 50 0 biogenic IKAAMO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000013057100 569308351 /nfs/dbraw/zinc/30/83/51/569308351.db2.gz RQIZSHRBFCRCBE-HUUCEWRRSA-N 1 1 434.989 5.162 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000013058739 569308544 /nfs/dbraw/zinc/30/85/44/569308544.db2.gz FMZHLCDGPJECMI-RHGYRFJNSA-N 1 1 434.605 5.816 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000013058739 569308545 /nfs/dbraw/zinc/30/85/45/569308545.db2.gz FMZHLCDGPJECMI-RHGYRFJNSA-N 1 1 434.605 5.816 50 0 IKAAMO CCc1c(C)c(/C=C2\[NH+]=CC(C)=C2C)[nH]c1CC1=N/C(=C\c2[nH]cc(C)c2C)C(C)=C1CC ZINC000019702939 569327275 /nfs/dbraw/zinc/32/72/75/569327275.db2.gz VCCDVRGBLNUALZ-PJAANXPGSA-N 1 1 440.635 7.357 50 0 biogenic IKAAMO COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)[N@H+](C)CC3)OCO2 ZINC000020111708 569334633 /nfs/dbraw/zinc/33/46/33/569334633.db2.gz VCYLUWWVUJRDTH-PZJWPPBQSA-N 1 1 425.569 5.385 50 0 biogenic IKAAMO COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)[N@@H+](C)CC3)OCO2 ZINC000020111708 569334634 /nfs/dbraw/zinc/33/46/34/569334634.db2.gz VCYLUWWVUJRDTH-PZJWPPBQSA-N 1 1 425.569 5.385 50 0 biogenic IKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C1 ZINC000020116431 569335090 /nfs/dbraw/zinc/33/50/90/569335090.db2.gz ZROUVUQPTDRFQM-INIZCTEOSA-N 1 1 428.001 5.469 50 0 IKAAMO CC(C)[N@@H+](CCCNC(=O)c1cc2c(s1)-c1ccccc1SC2)Cc1ccccc1 ZINC000020329416 569360815 /nfs/dbraw/zinc/36/08/15/569360815.db2.gz LTGSTJCCRTTYDL-UHFFFAOYSA-N 1 1 436.646 6.051 50 0 IKAAMO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@H+]3CCCC[C@@H]3CCO)cc(=O)oc2c1C ZINC000095473924 569372485 /nfs/dbraw/zinc/37/24/85/569372485.db2.gz LRQLXFRGJMDLSR-HXUWFJFHSA-N 1 1 446.547 5.263 50 0 IKAAMO C[C@@H](N[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095994647 569378455 /nfs/dbraw/zinc/37/84/55/569378455.db2.gz DPHYODNXHRBPLX-FUHIMQAGSA-N 1 1 444.501 5.317 50 0 IKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(OC)cc32)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096278141 569388959 /nfs/dbraw/zinc/38/89/59/569388959.db2.gz YLFIJDNTYXAWEX-QHCPKHFHSA-N 1 1 447.623 5.160 50 0 IKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(Cl)c2)CC1 ZINC000096277943 569388974 /nfs/dbraw/zinc/38/89/74/569388974.db2.gz GJVAYGQCCZVDMC-IBGZPJMESA-N 1 1 430.379 5.161 50 0 IKAAMO CCC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C)c4)cn32)CC1 ZINC000096288262 569390464 /nfs/dbraw/zinc/39/04/64/569390464.db2.gz YHVXQSRPXVMDHR-UHFFFAOYSA-N 1 1 438.575 5.031 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000096323646 569395339 /nfs/dbraw/zinc/39/53/39/569395339.db2.gz TXZPWCVUJVVPCA-MRXNPFEDSA-N 1 1 426.948 5.219 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000096323647 569395349 /nfs/dbraw/zinc/39/53/49/569395349.db2.gz TXZPWCVUJVVPCA-INIZCTEOSA-N 1 1 426.948 5.219 50 0 IKAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230026815 569417799 /nfs/dbraw/zinc/41/77/99/569417799.db2.gz IJTHSHYWZIATEW-GAJHUEQPSA-N 1 1 437.634 5.073 50 0 IKAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000230026815 569417800 /nfs/dbraw/zinc/41/78/00/569417800.db2.gz IJTHSHYWZIATEW-GAJHUEQPSA-N 1 1 437.634 5.073 50 0 IKAAMO C[C@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 ZINC000002714794 569417912 /nfs/dbraw/zinc/41/79/12/569417912.db2.gz OOYFYQMWQFXQDH-RXVVDRJESA-N 1 1 428.555 6.853 50 0 IKAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)cc3)O2)[C@@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000002917916 569425266 /nfs/dbraw/zinc/42/52/66/569425266.db2.gz QYGALYPGJYIWCL-DNQXCXABSA-N 1 1 426.907 5.453 50 0 IKAAMO Cc1cccc(NC(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000057015954 569429106 /nfs/dbraw/zinc/42/91/06/569429106.db2.gz KEBYHGNSWSGQQM-HYBUGGRVSA-N 1 1 434.609 5.130 50 0 IKAAMO Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000057015949 569429121 /nfs/dbraw/zinc/42/91/21/569429121.db2.gz KEBYHGNSWSGQQM-RDPSFJRHSA-N 1 1 434.609 5.130 50 0 IKAAMO Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000057015952 569429148 /nfs/dbraw/zinc/42/91/48/569429148.db2.gz KEBYHGNSWSGQQM-GBXCKJPGSA-N 1 1 434.609 5.130 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+](CCCCN2C(=O)CC4(CCCC4)CC2=O)[C@H]3CCC1 ZINC000057049726 569429297 /nfs/dbraw/zinc/42/92/97/569429297.db2.gz MKXJUHPZFKVOIT-DEOSSOPVSA-N 1 1 447.623 5.132 50 0 biogenic IKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+](CCCCN2C(=O)CC4(CCCC4)CC2=O)[C@H]3CCC1 ZINC000057049726 569429299 /nfs/dbraw/zinc/42/92/99/569429299.db2.gz MKXJUHPZFKVOIT-DEOSSOPVSA-N 1 1 447.623 5.132 50 0 biogenic IKAAMO Cc1nc(-c2ccc(C[NH2+][C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)s2)cs1 ZINC000057270780 569430269 /nfs/dbraw/zinc/43/02/69/569430269.db2.gz INOOXCXZKPYVFV-JOCHJYFZSA-N 1 1 437.565 5.789 50 0 IKAAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1Cl ZINC000057315268 569431012 /nfs/dbraw/zinc/43/10/12/569431012.db2.gz MOQHVSUZGPMNEC-OAHLLOKOSA-N 1 1 425.891 5.021 50 0 IKAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1 ZINC000057350728 569431328 /nfs/dbraw/zinc/43/13/28/569431328.db2.gz XHFRGGGUSSFUGD-AREMUKBSSA-N 1 1 447.623 5.098 50 0 IKAAMO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC(C)(C)C1 ZINC000002974970 569433558 /nfs/dbraw/zinc/43/35/58/569433558.db2.gz IATCAPSQFAMHBK-GHTZIAJQSA-N 1 1 445.010 7.368 50 0 IKAAMO C[C@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC(C)(C)C1 ZINC000002974973 569433560 /nfs/dbraw/zinc/43/35/60/569433560.db2.gz IATCAPSQFAMHBK-RXVVDRJESA-N 1 1 445.010 7.368 50 0 IKAAMO C[C@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000002974922 569433578 /nfs/dbraw/zinc/43/35/78/569433578.db2.gz GGYIHUAHJDCRLH-RXVVDRJESA-N 1 1 445.010 7.368 50 0 IKAAMO CC(=O)Nc1cc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000003049177 569438931 /nfs/dbraw/zinc/43/89/31/569438931.db2.gz GEWYBYGUKNSINV-KDURUIRLSA-N 1 1 439.625 5.097 50 0 IKAAMO Cc1ccc([C@H]2C[N@H+](Cc3cccn3C)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000230155869 569439627 /nfs/dbraw/zinc/43/96/27/569439627.db2.gz OTBQZSDHSBFOAD-AHKZPQOWSA-N 1 1 429.608 5.100 50 0 IKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000003180382 569441321 /nfs/dbraw/zinc/44/13/21/569441321.db2.gz IBNCSKDJHIAUMN-RXVVDRJESA-N 1 1 433.379 5.295 50 0 IKAAMO CC[N@H+](Cn1nc(-c2ccncc2)n(-c2cccc(Cl)c2C)c1=S)C1CCCCC1 ZINC000003224537 569442063 /nfs/dbraw/zinc/44/20/63/569442063.db2.gz KKWNVUABUXGWFO-UHFFFAOYSA-N 1 1 442.032 6.039 50 0 IKAAMO CC[N@@H+](Cn1nc(-c2ccncc2)n(-c2cccc(Cl)c2C)c1=S)C1CCCCC1 ZINC000003224537 569442064 /nfs/dbraw/zinc/44/20/64/569442064.db2.gz KKWNVUABUXGWFO-UHFFFAOYSA-N 1 1 442.032 6.039 50 0 IKAAMO O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000058012667 569444955 /nfs/dbraw/zinc/44/49/55/569444955.db2.gz COHVTKVIRPRDJF-VWLOTQADSA-N 1 1 425.016 5.785 50 0 IKAAMO O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000058012669 569444992 /nfs/dbraw/zinc/44/49/92/569444992.db2.gz COHVTKVIRPRDJF-RUZDIDTESA-N 1 1 425.016 5.785 50 0 IKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1Cl ZINC000003662322 569455976 /nfs/dbraw/zinc/45/59/76/569455976.db2.gz QDUMZEJPZMSQSY-KRWDZBQOSA-N 1 1 436.090 6.031 50 0 IKAAMO Cc1cc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)ccc1Cl ZINC000003662373 569455982 /nfs/dbraw/zinc/45/59/82/569455982.db2.gz NJXDLUXRNDQKLM-KRWDZBQOSA-N 1 1 436.090 6.031 50 0 IKAAMO CCCCOc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000031806746 569457491 /nfs/dbraw/zinc/45/74/91/569457491.db2.gz CKUMXVNYXSLOMW-UHFFFAOYSA-N 1 1 428.576 5.413 50 0 IKAAMO COc1ccc(OC)c([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)c1 ZINC000038545907 569463352 /nfs/dbraw/zinc/46/33/52/569463352.db2.gz FYYJAMPVPREDCC-JOCHJYFZSA-N 1 1 440.565 5.494 50 0 IKAAMO CCc1cc([C@@H](c2cccc(Cl)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545923 569463364 /nfs/dbraw/zinc/46/33/64/569463364.db2.gz HQUVOQKUUHKZPC-OAQYLSRUSA-N 1 1 428.985 6.385 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccccc2)N2CC[NH+](C)CC2)c1C ZINC000038546723 569463703 /nfs/dbraw/zinc/46/37/03/569463703.db2.gz DGHJGFJQLIJLNI-NRFANRHFSA-N 1 1 425.623 5.016 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1C ZINC000038546736 569463717 /nfs/dbraw/zinc/46/37/17/569463717.db2.gz CPCHDNBIJKELFC-OAQYLSRUSA-N 1 1 443.613 5.155 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000038547063 569463742 /nfs/dbraw/zinc/46/37/42/569463742.db2.gz KJFBSTILEYZOPZ-HSZRJFAPSA-N 1 1 428.561 5.863 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccncc2)c(NC(=O)c2ccccc2)s1 ZINC000038547069 569463744 /nfs/dbraw/zinc/46/37/44/569463744.db2.gz JOSSSRZPEZQZHN-QHCPKHFHSA-N 1 1 428.561 5.863 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c1C ZINC000038547039 569463766 /nfs/dbraw/zinc/46/37/66/569463766.db2.gz DZUWJZNPGSWJDT-XMMPIXPASA-N 1 1 445.563 6.661 50 0 IKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547545 569463768 /nfs/dbraw/zinc/46/37/68/569463768.db2.gz GEDLHHRNBBTSPS-QHCPKHFHSA-N 1 1 447.560 6.124 50 0 IKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547546 569463782 /nfs/dbraw/zinc/46/37/82/569463782.db2.gz GEDLHHRNBBTSPS-HSZRJFAPSA-N 1 1 447.560 6.124 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000038547056 569463798 /nfs/dbraw/zinc/46/37/98/569463798.db2.gz UYRZXIKOUXPNGZ-HSZRJFAPSA-N 1 1 428.561 5.863 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(C)cc2)c1C ZINC000038547626 569463854 /nfs/dbraw/zinc/46/38/54/569463854.db2.gz ZQIJUPIPUMPSHB-QHCPKHFHSA-N 1 1 431.561 6.424 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000038547745 569463896 /nfs/dbraw/zinc/46/38/96/569463896.db2.gz YWGWPYZPCMAIOW-QHCPKHFHSA-N 1 1 447.560 6.069 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547796 569463906 /nfs/dbraw/zinc/46/39/06/569463906.db2.gz TVMRAFTYNHWPKU-QFIPXVFZSA-N 1 1 435.524 6.200 50 0 IKAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008734785 569472614 /nfs/dbraw/zinc/47/26/14/569472614.db2.gz XAZOUULJMXZULF-JOCHJYFZSA-N 1 1 427.592 5.456 50 0 IKAAMO CC(=O)Nc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1Sc1ccc(C)cc1 ZINC000008811498 569476599 /nfs/dbraw/zinc/47/65/99/569476599.db2.gz SAILRPPBBVAXNV-IBGZPJMESA-N 1 1 439.625 5.099 50 0 IKAAMO Cc1cc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000008871970 569480864 /nfs/dbraw/zinc/48/08/64/569480864.db2.gz CPZCHJGCSMWYLC-UHFFFAOYSA-N 1 1 435.471 5.090 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000008923444 569487091 /nfs/dbraw/zinc/48/70/91/569487091.db2.gz NPHQYGBWBMGZIV-QHCPKHFHSA-N 1 1 433.577 5.523 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000040119465 569489398 /nfs/dbraw/zinc/48/93/98/569489398.db2.gz ZKNHLAGYHWUCNK-LJQANCHMSA-N 1 1 432.568 5.057 50 0 IKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000009066015 569499874 /nfs/dbraw/zinc/49/98/74/569499874.db2.gz ZTXVXQYFQRBAAP-DHIUTWEWSA-N 1 1 430.870 5.283 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)C1 ZINC000245258141 569501678 /nfs/dbraw/zinc/50/16/78/569501678.db2.gz LAPRBDWKIGWNPR-LRQRDZAKSA-N 1 1 429.992 5.210 50 0 IKAAMO COc1cccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)C[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000040424913 569502891 /nfs/dbraw/zinc/50/28/91/569502891.db2.gz DBPHXVFOYLMSPT-LEWJYISDSA-N 1 1 436.502 5.218 50 0 IKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(Cl)cc1 ZINC000009288598 569519447 /nfs/dbraw/zinc/51/94/47/569519447.db2.gz LIUXJLQNEGZXCT-INIZCTEOSA-N 1 1 444.000 5.195 50 0 IKAAMO Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1Cl ZINC000009293260 569520168 /nfs/dbraw/zinc/52/01/68/569520168.db2.gz IZYMSRNDGIYNOA-FGZHOGPDSA-N 1 1 448.313 5.193 50 0 IKAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000009314573 569522088 /nfs/dbraw/zinc/52/20/88/569522088.db2.gz RTVZNTBRYKZVNN-JOCHJYFZSA-N 1 1 426.463 5.156 50 0 IKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)o1 ZINC000009377399 569527440 /nfs/dbraw/zinc/52/74/40/569527440.db2.gz YMNDRHQXJVUYSB-UHFFFAOYSA-N 1 1 441.491 5.221 50 0 IKAAMO C[N@@H+](CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2)Cc1ccccc1 ZINC000009407753 569530318 /nfs/dbraw/zinc/53/03/18/569530318.db2.gz RMYVDGNOBYTPBF-UHFFFAOYSA-N 1 1 443.037 5.926 50 0 IKAAMO CCOc1cc(C[NH2+]Cc2nnc3ccccn32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000009464559 569537748 /nfs/dbraw/zinc/53/77/48/569537748.db2.gz GHFYHMWLPPXJCT-UHFFFAOYSA-N 1 1 444.579 5.294 50 0 IKAAMO COc1ccc(-c2nc3ccccc3c(NCC[N@@H+](Cc3ccco3)C3CCCC3)n2)cc1 ZINC000009527069 569544668 /nfs/dbraw/zinc/54/46/68/569544668.db2.gz KMUSQDVRMUFHMB-UHFFFAOYSA-N 1 1 442.563 5.755 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598065 569550994 /nfs/dbraw/zinc/55/09/94/569550994.db2.gz FMFKCEWDCGNEPJ-MRXNPFEDSA-N 1 1 428.001 5.611 50 0 IKAAMO Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)nc21 ZINC000009603912 569551821 /nfs/dbraw/zinc/55/18/21/569551821.db2.gz FMBPYCNAGHJNGP-UHFFFAOYSA-N 1 1 443.572 5.044 50 0 IKAAMO CCC1=Nc2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2Sc2ccccc21 ZINC000009607874 569551999 /nfs/dbraw/zinc/55/19/99/569551999.db2.gz CPATUMQLVHNKRD-KDURUIRLSA-N 1 1 435.637 5.780 50 0 IKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@H](c2nccn2C)c2ccccc2)n1 ZINC000009608687 569552189 /nfs/dbraw/zinc/55/21/89/569552189.db2.gz AHUPZIRENNTUFS-NRFANRHFSA-N 1 1 434.613 5.085 50 0 IKAAMO c1c2c(sc1-c1nnc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)o1)CCCC2 ZINC000009645192 569556061 /nfs/dbraw/zinc/55/60/61/569556061.db2.gz IJHXTWIOGVLPOF-UHFFFAOYSA-N 1 1 436.606 5.666 50 0 IKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000009671607 569558626 /nfs/dbraw/zinc/55/86/26/569558626.db2.gz KFSOASQLXNYPHA-DEOSSOPVSA-N 1 1 428.532 5.437 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000009680571 569560108 /nfs/dbraw/zinc/56/01/08/569560108.db2.gz XSNNPFOESFICMB-OAQYLSRUSA-N 1 1 446.595 5.371 50 0 IKAAMO CCC[N@H+](Cc1nnc(-c2cccs2)o1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009739304 569565042 /nfs/dbraw/zinc/56/50/42/569565042.db2.gz JOXWZDUDQVAXAU-UHFFFAOYSA-N 1 1 432.549 5.463 50 0 IKAAMO CCC[N@@H+](Cc1nnc(-c2cccs2)o1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000009739304 569565043 /nfs/dbraw/zinc/56/50/43/569565043.db2.gz JOXWZDUDQVAXAU-UHFFFAOYSA-N 1 1 432.549 5.463 50 0 IKAAMO C[N@@H+](Cc1cc(=O)n2c(-c3ccccc3)csc2n1)C(c1ccccc1)c1ccccc1 ZINC000009767502 569566869 /nfs/dbraw/zinc/56/68/69/569566869.db2.gz ZDPRFADOAUAJJP-UHFFFAOYSA-N 1 1 437.568 5.644 50 0 IKAAMO O=S(=O)(c1ccc(Nc2c3c([nH+]c4ccc(Cl)cc42)CCC3)cc1)N1CCCCC1 ZINC000009857689 569571665 /nfs/dbraw/zinc/57/16/65/569571665.db2.gz IVCYVLOCIUTCMH-UHFFFAOYSA-N 1 1 441.984 5.295 50 0 IKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000635909 193865635 /nfs/dbraw/zinc/86/56/35/193865635.db2.gz BCCLDKHKGGZOJH-JWQCQUIFSA-N 1 1 438.556 5.521 50 0 IKAAMO CC1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC1 ZINC000002714203 132256544 /nfs/dbraw/zinc/25/65/44/132256544.db2.gz JYQRDNMMCOEFMJ-UHFFFAOYSA-N 1 1 436.481 6.343 50 0 IKAAMO CC1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC1 ZINC000002714580 132256551 /nfs/dbraw/zinc/25/65/51/132256551.db2.gz IQETZPNQDXLXLJ-UHFFFAOYSA-N 1 1 447.380 6.086 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000002715234 132256555 /nfs/dbraw/zinc/25/65/55/132256555.db2.gz KBLAWJVQNXOOKK-PMACEKPBSA-N 1 1 426.564 5.969 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000013298512 132346275 /nfs/dbraw/zinc/34/62/75/132346275.db2.gz JZHYGSMCUBOIET-KDURUIRLSA-N 1 1 428.536 5.100 50 0 IKAAMO CC(=O)c1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cs1 ZINC000012303875 518275631 /nfs/dbraw/zinc/27/56/31/518275631.db2.gz BMNMJWQPRVHAQA-UHFFFAOYSA-N 1 1 436.552 5.608 50 0 IKAAMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000012166751 518444863 /nfs/dbraw/zinc/44/48/63/518444863.db2.gz MDIAEZSIZHFWAX-IOMURQGYSA-N 1 1 442.525 5.622 50 0 IKAAMO CC(C)(C)c1ccc(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)C2CC2)cc1 ZINC000035843657 519027929 /nfs/dbraw/zinc/02/79/29/519027929.db2.gz UUOPCNNVRRNCEN-XMMPIXPASA-N 1 1 443.056 5.876 50 0 IKAAMO CC(C)(C)c1ccc(C[N@@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)C2CC2)cc1 ZINC000035843657 519027936 /nfs/dbraw/zinc/02/79/36/519027936.db2.gz UUOPCNNVRRNCEN-XMMPIXPASA-N 1 1 443.056 5.876 50 0 IKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841196 519652732 /nfs/dbraw/zinc/65/27/32/519652732.db2.gz BYLYMJNPGGGKMQ-UHFFFAOYSA-N 1 1 432.505 6.743 50 0 IKAAMO CC(C)C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844953 519709602 /nfs/dbraw/zinc/70/96/02/519709602.db2.gz DLNFWFOSYXUXHX-UHFFFAOYSA-N 1 1 444.497 5.384 50 0 IKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)cc(F)c1 ZINC000035844673 519718548 /nfs/dbraw/zinc/71/85/48/519718548.db2.gz MDKHOILPGNKRJO-UHFFFAOYSA-N 1 1 436.468 6.492 50 0 IKAAMO CC(C)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000012856839 519778832 /nfs/dbraw/zinc/77/88/32/519778832.db2.gz WGZJIXKFUKJZFZ-UHFFFAOYSA-N 1 1 447.554 5.187 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843773 519791357 /nfs/dbraw/zinc/79/13/57/519791357.db2.gz SIEDQHRHFKMDRW-LJQANCHMSA-N 1 1 432.505 6.741 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Cl)c1 ZINC000035844686 519811956 /nfs/dbraw/zinc/81/19/56/519811956.db2.gz ODJZKUQZJMUOKY-IBGZPJMESA-N 1 1 448.960 7.255 50 0 IKAAMO CC(C)c1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(F)cc4)CC2)n1)CC[C@@H](C)C3 ZINC000035892805 519872390 /nfs/dbraw/zinc/87/23/90/519872390.db2.gz LZIQBJPQRRCKMC-QGZVFWFLSA-N 1 1 438.616 5.401 50 0 IKAAMO CCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843635 520442054 /nfs/dbraw/zinc/44/20/54/520442054.db2.gz MMNCERGMCAPLTP-JOCHJYFZSA-N 1 1 438.971 5.495 50 0 IKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843635 520442064 /nfs/dbraw/zinc/44/20/64/520442064.db2.gz MMNCERGMCAPLTP-JOCHJYFZSA-N 1 1 438.971 5.495 50 0 IKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843608 520442391 /nfs/dbraw/zinc/44/23/91/520442391.db2.gz FOJSKFNUYRTYNC-VWLOTQADSA-N 1 1 442.644 6.000 50 0 IKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843607 520442496 /nfs/dbraw/zinc/44/24/96/520442496.db2.gz FOJSKFNUYRTYNC-RUZDIDTESA-N 1 1 442.644 6.000 50 0 IKAAMO CCN(CC)C(=O)c1ccc(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000012802661 520552468 /nfs/dbraw/zinc/55/24/68/520552468.db2.gz HLMSCAFDILTRBM-VWLOTQADSA-N 1 1 449.982 5.140 50 0 IKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(SCCC(=O)Nc2ccccc2F)n1 ZINC000012910857 520762838 /nfs/dbraw/zinc/76/28/38/520762838.db2.gz QMBLWEMFIIIZPS-UHFFFAOYSA-N 1 1 446.617 5.410 50 0 IKAAMO CCOc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3CC)c3ccccc3n2)cc1 ZINC000020682320 520805593 /nfs/dbraw/zinc/80/55/93/520805593.db2.gz TURIWMLUDDHEMZ-JOCHJYFZSA-N 1 1 445.607 5.685 50 0 IKAAMO CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794231 520872193 /nfs/dbraw/zinc/87/21/93/520872193.db2.gz DYZZMANHINHTAA-UHFFFAOYSA-N 1 1 445.567 5.560 50 0 IKAAMO CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021794231 520872202 /nfs/dbraw/zinc/87/22/02/520872202.db2.gz DYZZMANHINHTAA-UHFFFAOYSA-N 1 1 445.567 5.560 50 0 IKAAMO CC[NH+](CC)c1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2cc(OC)ccc2OC)c(C)c1 ZINC000021105806 520920136 /nfs/dbraw/zinc/92/01/36/520920136.db2.gz PBQCBRDZTCRYFW-VWLOTQADSA-N 1 1 446.551 5.025 50 0 IKAAMO CCOc1ccc(C[N@H+](CC)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1OC ZINC000022474721 520964944 /nfs/dbraw/zinc/96/49/44/520964944.db2.gz VNVHVRGRXHXWOU-UHFFFAOYSA-N 1 1 444.881 5.227 50 0 IKAAMO CCOc1ccc(C[N@@H+](CC)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1OC ZINC000022474721 520964953 /nfs/dbraw/zinc/96/49/53/520964953.db2.gz VNVHVRGRXHXWOU-UHFFFAOYSA-N 1 1 444.881 5.227 50 0 IKAAMO CCOc1ccc(NC(=O)C[N@@H+]2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000021045619 521061268 /nfs/dbraw/zinc/06/12/68/521061268.db2.gz UBLFSUQIXRJLQV-VWLOTQADSA-N 1 1 434.605 5.604 50 0 IKAAMO CCOc1ccc(NC(=O)C[N@H+]2CCc3c(CC)c(C)sc3[C@@H]2c2ccccc2)cc1 ZINC000021045619 521061277 /nfs/dbraw/zinc/06/12/77/521061277.db2.gz UBLFSUQIXRJLQV-VWLOTQADSA-N 1 1 434.605 5.604 50 0 IKAAMO CCCC[C@@](O)(c1ccc(OCC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447037 521124294 /nfs/dbraw/zinc/12/42/94/521124294.db2.gz XMOALVBFZYUAEM-JWQCQUIFSA-N 1 1 432.004 5.233 50 0 IKAAMO CCCCc1nc(C[NH+]2CCC(C(=O)Nc3ccccc3-c3cccc(OC)c3)CC2)c[nH]1 ZINC000012300410 521294094 /nfs/dbraw/zinc/29/40/94/521294094.db2.gz GKFWGSHQEFZTLC-UHFFFAOYSA-N 1 1 446.595 5.279 50 0 IKAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000012565882 521373245 /nfs/dbraw/zinc/37/32/45/521373245.db2.gz VONCVKHMISCWGP-HSZRJFAPSA-N 1 1 448.588 5.758 50 0 IKAAMO CCOc1ccccc1NC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532238 521542267 /nfs/dbraw/zinc/54/22/67/521542267.db2.gz OLRSLZDVNOEKEX-QGZVFWFLSA-N 1 1 438.597 5.198 50 0 IKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466698 521638233 /nfs/dbraw/zinc/63/82/33/521638233.db2.gz YXEJPUJCFYRZGO-QGZVFWFLSA-N 1 1 428.001 5.495 50 0 IKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000035579322 521663630 /nfs/dbraw/zinc/66/36/30/521663630.db2.gz QUUIVYJOWRJADT-GOSISDBHSA-N 1 1 430.379 5.161 50 0 IKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccc(Cl)c(Cl)c2)CC1 ZINC000035579320 521663932 /nfs/dbraw/zinc/66/39/32/521663932.db2.gz QUUIVYJOWRJADT-SFHVURJKSA-N 1 1 430.379 5.161 50 0 IKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000020532231 521724633 /nfs/dbraw/zinc/72/46/33/521724633.db2.gz CCUPFMAHCHKYGW-MRXNPFEDSA-N 1 1 443.016 5.761 50 0 IKAAMO CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](CCc1ccccc1)C3 ZINC000020827442 521785707 /nfs/dbraw/zinc/78/57/07/521785707.db2.gz UHDZJOHFZOAMJA-UHFFFAOYSA-N 1 1 447.629 5.160 50 0 IKAAMO CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](CC1CCCCC1)C3 ZINC000020814044 521786854 /nfs/dbraw/zinc/78/68/54/521786854.db2.gz ZMTUZZXXLQSFBI-UHFFFAOYSA-N 1 1 445.698 6.014 50 0 IKAAMO COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)[N@H+](C)CC3)OCO2 ZINC000036025447 521890251 /nfs/dbraw/zinc/89/02/51/521890251.db2.gz VCYLUWWVUJRDTH-TZIWHRDSSA-N 1 1 425.569 5.385 50 0 biogenic IKAAMO COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)[N@@H+](C)CC3)OCO2 ZINC000036025447 521890261 /nfs/dbraw/zinc/89/02/61/521890261.db2.gz VCYLUWWVUJRDTH-TZIWHRDSSA-N 1 1 425.569 5.385 50 0 biogenic IKAAMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1C ZINC000011872936 522054613 /nfs/dbraw/zinc/05/46/13/522054613.db2.gz AMRYOAQLLWODOM-FQEVSTJZSA-N 1 1 448.529 5.049 50 0 IKAAMO COc1cc(CCC2CC[NH+]([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc(OC)c1 ZINC000021396140 522326462 /nfs/dbraw/zinc/32/64/62/522326462.db2.gz USHZTYSPFKWAME-MRXNPFEDSA-N 1 1 427.570 5.221 50 0 IKAAMO CN(C(=O)C[N@H+](C)Cc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 ZINC000012911257 522421754 /nfs/dbraw/zinc/42/17/54/522421754.db2.gz YRFKTIQOOJQIFH-UHFFFAOYSA-N 1 1 437.381 5.129 50 0 IKAAMO CN(C(=O)C[N@@H+](C)Cc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 ZINC000012911257 522421765 /nfs/dbraw/zinc/42/17/65/522421765.db2.gz YRFKTIQOOJQIFH-UHFFFAOYSA-N 1 1 437.381 5.129 50 0 IKAAMO C[N@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)C(c1ccccc1)c1ccccc1 ZINC000012692844 522455658 /nfs/dbraw/zinc/45/56/58/522455658.db2.gz CKIADGQUPCGLCN-UHFFFAOYSA-N 1 1 439.559 5.006 50 0 IKAAMO C[N@@H+](CC(=O)N1c2ccccc2NC(=O)C12CCCC2)C(c1ccccc1)c1ccccc1 ZINC000012692844 522455665 /nfs/dbraw/zinc/45/56/65/522455665.db2.gz CKIADGQUPCGLCN-UHFFFAOYSA-N 1 1 439.559 5.006 50 0 IKAAMO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c2cnn3-c2cc(C)cc(C)c2)c1OC ZINC000012431673 522544397 /nfs/dbraw/zinc/54/43/97/522544397.db2.gz RISWUGNNSZNSCL-NRFANRHFSA-N 1 1 425.960 5.327 50 0 IKAAMO C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC(=O)N(Cc2ccc(F)cc2F)CC1 ZINC000012123985 522698305 /nfs/dbraw/zinc/69/83/05/522698305.db2.gz HHZSZFDOTQMXKI-MCADVSAISA-N 1 1 430.583 5.384 50 0 IKAAMO COc1cc(OCc2ccccc2)ccc1C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000012340476 522891746 /nfs/dbraw/zinc/89/17/46/522891746.db2.gz IOCITSYWOBMZOM-UHFFFAOYSA-N 1 1 433.523 5.508 50 0 IKAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000012441368 522964399 /nfs/dbraw/zinc/96/43/99/522964399.db2.gz VLBCAFCHXKFYMU-HSZRJFAPSA-N 1 1 430.552 5.045 50 0 IKAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000012441370 522965681 /nfs/dbraw/zinc/96/56/81/522965681.db2.gz VLBCAFCHXKFYMU-QHCPKHFHSA-N 1 1 430.552 5.045 50 0 IKAAMO COc1cc2c(cc1NC(=O)O[C@@H]1CCN3Cc4ccccc4[NH+]=C13)oc1ccccc12 ZINC000012660202 523018019 /nfs/dbraw/zinc/01/80/19/523018019.db2.gz PTKFADNXHNPQEW-OAQYLSRUSA-N 1 1 427.460 5.461 50 0 biogenic IKAAMO COc1cc2c(cc1NC(=O)O[C@H]1CCN3Cc4ccccc4[NH+]=C13)oc1ccccc12 ZINC000012660203 523018108 /nfs/dbraw/zinc/01/81/08/523018108.db2.gz PTKFADNXHNPQEW-NRFANRHFSA-N 1 1 427.460 5.461 50 0 biogenic IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000015880075 523019190 /nfs/dbraw/zinc/01/91/90/523019190.db2.gz UGTIEFUTIKZRTB-PESPDQJRSA-N 1 1 449.620 5.156 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000012747732 523138545 /nfs/dbraw/zinc/13/85/45/523138545.db2.gz IKCBHHRRFCLVAC-NRFANRHFSA-N 1 1 448.538 5.361 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCc3cccc(O)c3)c(C)o2)c(OC)c1 ZINC000012709962 523201184 /nfs/dbraw/zinc/20/11/84/523201184.db2.gz PNKDCRNZSGLRER-HXUWFJFHSA-N 1 1 436.552 5.360 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1 ZINC000020540187 523203150 /nfs/dbraw/zinc/20/31/50/523203150.db2.gz OTENVPSCZFZHSP-QGZVFWFLSA-N 1 1 433.508 5.188 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cc1 ZINC000012746596 524027729 /nfs/dbraw/zinc/02/77/29/524027729.db2.gz IJBSLPSUVNBVRA-JOCHJYFZSA-N 1 1 430.548 5.222 50 0 IKAAMO C[NH+](C)C1(c2nnnn2[C@@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCCC1 ZINC000012381217 524038086 /nfs/dbraw/zinc/03/80/86/524038086.db2.gz DLXBMYSXNLRWTC-XASXRRJKSA-N 1 1 436.431 6.002 50 0 IKAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1C ZINC000016672228 524038700 /nfs/dbraw/zinc/03/87/00/524038700.db2.gz KXKYFAHXSWOUGD-SANMLTNESA-N 1 1 437.967 5.822 50 0 IKAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1C ZINC000016672228 524038703 /nfs/dbraw/zinc/03/87/03/524038703.db2.gz KXKYFAHXSWOUGD-SANMLTNESA-N 1 1 437.967 5.822 50 0 IKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)cc1Cl ZINC000012580331 524484683 /nfs/dbraw/zinc/48/46/83/524484683.db2.gz ZPYBEMZLKYMMQS-MRXNPFEDSA-N 1 1 434.989 5.244 50 0 IKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)cc1Cl ZINC000012580331 524484688 /nfs/dbraw/zinc/48/46/88/524484688.db2.gz ZPYBEMZLKYMMQS-MRXNPFEDSA-N 1 1 434.989 5.244 50 0 IKAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)CC1 ZINC000012459272 524655530 /nfs/dbraw/zinc/65/55/30/524655530.db2.gz IHMJSXQPNJAXEF-UHFFFAOYSA-N 1 1 446.469 5.721 50 0 IKAAMO COc1ccccc1[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)[NH+]1CCCC1 ZINC000012786263 524733557 /nfs/dbraw/zinc/73/35/57/524733557.db2.gz SBCQHWAVINAONR-QGZVFWFLSA-N 1 1 432.948 5.269 50 0 IKAAMO COc1ccc(OC[C@H]2CCC[N@@H+](Cc3nc(-c4cccc(F)c4F)oc3C)C2)cc1 ZINC000012751193 524971704 /nfs/dbraw/zinc/97/17/04/524971704.db2.gz LJFBQFQMRVVHJH-KRWDZBQOSA-N 1 1 428.479 5.228 50 0 IKAAMO COc1ccc(OC[C@H]2CCC[N@@H+](Cc3nc(-c4ccc(F)c(OC)c4)oc3C)C2)cc1 ZINC000012575333 524971793 /nfs/dbraw/zinc/97/17/93/524971793.db2.gz UUCLJVQBOBDWTI-SFHVURJKSA-N 1 1 440.515 5.097 50 0 IKAAMO Cc1ccc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c(Br)c1 ZINC000012769655 525063612 /nfs/dbraw/zinc/06/36/12/525063612.db2.gz PZOQRRFIIDUYII-HXUWFJFHSA-N 1 1 433.346 5.276 50 0 IKAAMO Cc1cc(NC(=O)N2CCC[C@@H](C[N@H+]3CCc4ccccc4C3)C2)ccc1Br ZINC000020532116 525175702 /nfs/dbraw/zinc/17/57/02/525175702.db2.gz DBXGERCNGFUEJA-SFHVURJKSA-N 1 1 442.401 5.060 50 0 IKAAMO Cc1ccccc1Cn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2ccsc21 ZINC000035843854 525208576 /nfs/dbraw/zinc/20/85/76/525208576.db2.gz BSPBSVMSFRQLSG-UHFFFAOYSA-N 1 1 429.589 5.018 50 0 IKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](C[C@H](O)COCc1ccccc1)C1CCCCC1 ZINC000035840752 525211288 /nfs/dbraw/zinc/21/12/88/525211288.db2.gz LFJAHKJWQZYNGO-LJAQVGFWSA-N 1 1 446.635 5.557 50 0 IKAAMO C[C@H](NC(=O)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1)c1ccccc1 ZINC000034684585 525228552 /nfs/dbraw/zinc/22/85/52/525228552.db2.gz UNNZNYIRVNGSFY-FQEVSTJZSA-N 1 1 433.983 5.153 50 0 IKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000035840627 525307539 /nfs/dbraw/zinc/30/75/39/525307539.db2.gz LYVKRPGHMNOOFJ-VWLOTQADSA-N 1 1 438.587 5.272 50 0 IKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCc2cn(Cc3ccccc3F)c3ccccc23)C1 ZINC000021527961 525384037 /nfs/dbraw/zinc/38/40/37/525384037.db2.gz KUFRIVOLKWWOIS-SZPZYZBQSA-N 1 1 449.614 5.246 50 0 IKAAMO COc1ccc([C@](O)(CCC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446972 525444374 /nfs/dbraw/zinc/44/43/74/525444374.db2.gz BKARIVRTTVHMED-LOSJGSFVSA-N 1 1 432.004 5.088 50 0 IKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](C[C@H](C)c2ccccc2)C3)c1OC ZINC000020999443 525712170 /nfs/dbraw/zinc/71/21/70/525712170.db2.gz QQCMIWVEXIISPY-IBGZPJMESA-N 1 1 433.548 5.378 50 0 IKAAMO Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[N@@H+]3CCCC[C@H]3C)n2)cc1 ZINC000021659574 525714770 /nfs/dbraw/zinc/71/47/70/525714770.db2.gz YLKLRKIQIHCNQN-GOSISDBHSA-N 1 1 434.971 5.585 50 0 IKAAMO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)c1 ZINC000012299269 525716722 /nfs/dbraw/zinc/71/67/22/525716722.db2.gz RWIHDMNCYJSDKR-UHFFFAOYSA-N 1 1 436.502 5.491 50 0 IKAAMO Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@H](c3nc(SCc4cccnc4)ncc3C)C2)o1 ZINC000012152301 525875653 /nfs/dbraw/zinc/87/56/53/525875653.db2.gz HHSDWTZYUSYUHQ-XMSQKQJNSA-N 1 1 436.625 5.747 50 0 IKAAMO Cc1ccc(-n2c(SC[C@H]3C[N@@H+](CC(C)C)CCO3)nnc2-c2ccccc2)cc1C ZINC000013145867 525901568 /nfs/dbraw/zinc/90/15/68/525901568.db2.gz CTGFEBZDJMGKFP-HSZRJFAPSA-N 1 1 436.625 5.000 50 0 IKAAMO COc1cccc(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000035843629 525921103 /nfs/dbraw/zinc/92/11/03/525921103.db2.gz OISVJDUJIGRRBM-HSZRJFAPSA-N 1 1 433.017 5.081 50 0 IKAAMO C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012380392 525939315 /nfs/dbraw/zinc/93/93/15/525939315.db2.gz RVWUIVWGMZDYKA-HXUWFJFHSA-N 1 1 434.967 5.041 50 0 IKAAMO C[C@H](Oc1cccc(Cl)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012380391 525946303 /nfs/dbraw/zinc/94/63/03/525946303.db2.gz RVWUIVWGMZDYKA-FQEVSTJZSA-N 1 1 434.967 5.041 50 0 IKAAMO Cc1ccc(C(=O)NCCOc2ccc(C[N@H+](C)Cc3cccc4ccccc43)cc2)s1 ZINC000012281563 526168270 /nfs/dbraw/zinc/16/82/70/526168270.db2.gz NABLVQUSWMIZKN-UHFFFAOYSA-N 1 1 444.600 5.651 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916062 526247748 /nfs/dbraw/zinc/24/77/48/526247748.db2.gz LSAHWPPRDMPPKW-NRFANRHFSA-N 1 1 448.611 5.056 50 0 IKAAMO Cc1ccc2nc3sc(C(=O)NCC[N@@H+](Cc4ccco4)C4CCCC4)cc3cc2c1 ZINC000021087471 526257084 /nfs/dbraw/zinc/25/70/84/526257084.db2.gz QNLCJPKOJUABPH-UHFFFAOYSA-N 1 1 433.577 5.526 50 0 IKAAMO Fc1ccc(C[NH+]2CCN(c3nc(C4CC4)nc4sc5c(c43)CCCCC5)CC2)cc1 ZINC000035892944 526333008 /nfs/dbraw/zinc/33/30/08/526333008.db2.gz KLTZGLXRXUUTFH-UHFFFAOYSA-N 1 1 436.600 5.299 50 0 IKAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000020914412 526493590 /nfs/dbraw/zinc/49/35/90/526493590.db2.gz ZCJPURAVWQQDGO-UHFFFAOYSA-N 1 1 439.563 5.359 50 0 IKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1)NCc1ccccc1Cl ZINC000012305941 526569708 /nfs/dbraw/zinc/56/97/08/526569708.db2.gz MYEWOESSJMOTGC-LJQANCHMSA-N 1 1 436.987 5.039 50 0 IKAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000022907774 526582677 /nfs/dbraw/zinc/58/26/77/526582677.db2.gz NNWODLIVVPGVLC-HXUWFJFHSA-N 1 1 441.394 5.040 50 0 IKAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1cccc(Br)c1 ZINC000022907774 526582680 /nfs/dbraw/zinc/58/26/80/526582680.db2.gz NNWODLIVVPGVLC-HXUWFJFHSA-N 1 1 441.394 5.040 50 0 IKAAMO Cc1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)nc1C ZINC000012464849 526716236 /nfs/dbraw/zinc/71/62/36/526716236.db2.gz UHWOTMXLWTUBPO-JOCHJYFZSA-N 1 1 432.543 5.059 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000012302775 526730219 /nfs/dbraw/zinc/73/02/19/526730219.db2.gz GSLLZVKYBLKOJS-HXUWFJFHSA-N 1 1 431.458 5.245 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000012302775 526730222 /nfs/dbraw/zinc/73/02/22/526730222.db2.gz GSLLZVKYBLKOJS-HXUWFJFHSA-N 1 1 431.458 5.245 50 0 IKAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012705565 526747677 /nfs/dbraw/zinc/74/76/77/526747677.db2.gz WNHHNSZCDUGQRK-KRWDZBQOSA-N 1 1 427.545 5.482 50 0 IKAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012705565 526747682 /nfs/dbraw/zinc/74/76/82/526747682.db2.gz WNHHNSZCDUGQRK-KRWDZBQOSA-N 1 1 427.545 5.482 50 0 IKAAMO O=C(c1ccccc1-c1ccccc1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000012376982 526799696 /nfs/dbraw/zinc/79/96/96/526799696.db2.gz ATEXJSYRUUMGRA-UHFFFAOYSA-N 1 1 430.551 5.881 50 0 IKAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012809615 526814384 /nfs/dbraw/zinc/81/43/84/526814384.db2.gz IJTHSHYWZIATEW-HXOBKFHXSA-N 1 1 437.634 5.073 50 0 IKAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012809615 526814389 /nfs/dbraw/zinc/81/43/89/526814389.db2.gz IJTHSHYWZIATEW-HXOBKFHXSA-N 1 1 437.634 5.073 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)[nH+]2)c2cccnc2)c1C ZINC000035476899 526884204 /nfs/dbraw/zinc/88/42/04/526884204.db2.gz RKTFNMUIVSLUNM-HSZRJFAPSA-N 1 1 428.561 5.917 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c1C ZINC000035476891 526884851 /nfs/dbraw/zinc/88/48/51/526884851.db2.gz JEHBCERALSVMKF-HSZRJFAPSA-N 1 1 428.561 5.917 50 0 IKAAMO Clc1ccc(-c2nnc([C@H](c3ccccc3)N3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000021916554 526936328 /nfs/dbraw/zinc/93/63/28/526936328.db2.gz DFUYRYMOAXXHAN-DEOSSOPVSA-N 1 1 444.966 5.297 50 0 IKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)[nH+]1 ZINC000021794154 527003312 /nfs/dbraw/zinc/00/33/12/527003312.db2.gz QLOXFTZLHNISDZ-UHFFFAOYSA-N 1 1 429.568 5.679 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794154 527003319 /nfs/dbraw/zinc/00/33/19/527003319.db2.gz QLOXFTZLHNISDZ-UHFFFAOYSA-N 1 1 429.568 5.679 50 0 IKAAMO O=C(Cc1ccc(Cl)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012622387 527223674 /nfs/dbraw/zinc/22/36/74/527223674.db2.gz ZZRAXJWBLPLCSI-UHFFFAOYSA-N 1 1 439.386 5.470 50 0 IKAAMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)s1 ZINC000012430669 527256086 /nfs/dbraw/zinc/25/60/86/527256086.db2.gz NPGLHCSJACYFTB-FQEVSTJZSA-N 1 1 430.577 5.451 50 0 IKAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccn1Cc1ccccc1)C1CCCCC1 ZINC000035840436 527658483 /nfs/dbraw/zinc/65/84/83/527658483.db2.gz QMANSBFNPVSWMB-MUUNZHRXSA-N 1 1 432.608 5.249 50 0 IKAAMO CCCCc1ccc(NC(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(C)c1 ZINC000008618185 535091517 /nfs/dbraw/zinc/09/15/17/535091517.db2.gz OAYXWLSZLKEMPK-UHFFFAOYSA-N 1 1 436.987 5.893 50 0 IKAAMO CCOC(=O)C1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000009531166 535606791 /nfs/dbraw/zinc/60/67/91/535606791.db2.gz NKBVRQCMMLHKOR-UHFFFAOYSA-N 1 1 444.510 5.006 50 0 IKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000635905 555516765 /nfs/dbraw/zinc/51/67/65/555516765.db2.gz BCCLDKHKGGZOJH-LOSJGSFVSA-N 1 1 438.556 5.521 50 0 IKAAMO Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000651506 555522963 /nfs/dbraw/zinc/52/29/63/555522963.db2.gz QLHUSOZUPUCYAY-ZEQRLZLVSA-N 1 1 426.907 5.453 50 0 IKAAMO Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843542 555568439 /nfs/dbraw/zinc/56/84/39/555568439.db2.gz QIPZVDQHCSKCMN-GOTSBHOMSA-N 1 1 430.870 5.283 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)cc1Cl ZINC000001447558 555699254 /nfs/dbraw/zinc/69/92/54/555699254.db2.gz KOZDZVXAMFXTGA-UHFFFAOYSA-N 1 1 425.923 6.056 50 0 IKAAMO COC[C@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000001447713 555699561 /nfs/dbraw/zinc/69/95/61/555699561.db2.gz QFXZPOJNAGPDPA-HNNXBMFYSA-N 1 1 437.341 5.297 50 0 IKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002449673 555781098 /nfs/dbraw/zinc/78/10/98/555781098.db2.gz ZENKZVGSUOSJJW-DNQXCXABSA-N 1 1 442.519 5.352 50 0 IKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002449670 555781117 /nfs/dbraw/zinc/78/11/17/555781117.db2.gz ZENKZVGSUOSJJW-ZEQRLZLVSA-N 1 1 442.519 5.352 50 0 IKAAMO CCN(C)C(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671569 555793019 /nfs/dbraw/zinc/79/30/19/555793019.db2.gz ROOMXRGYCUNMFW-JIPXPUAJSA-N 1 1 428.576 5.080 50 0 IKAAMO CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671684 555793036 /nfs/dbraw/zinc/79/30/36/555793036.db2.gz HMYDGHQJZPGQCZ-WUFINQPMSA-N 1 1 442.603 5.436 50 0 IKAAMO CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671803 555793072 /nfs/dbraw/zinc/79/30/72/555793072.db2.gz DSRVWTDQIQUZFF-ZBLYBZFDSA-N 1 1 428.576 5.046 50 0 IKAAMO CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671682 555793080 /nfs/dbraw/zinc/79/30/80/555793080.db2.gz HMYDGHQJZPGQCZ-IZLXSDGUSA-N 1 1 442.603 5.436 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698748 555812103 /nfs/dbraw/zinc/81/21/03/555812103.db2.gz RYCIYFBAXZVXOO-ATIYNZHBSA-N 1 1 434.555 5.494 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2c2ccccc2)cc1 ZINC000034698957 555812385 /nfs/dbraw/zinc/81/23/85/555812385.db2.gz HRYOTVQVQADQEG-IXCJQBJRSA-N 1 1 441.619 5.404 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccccc3C)C2)o1 ZINC000034698793 555812529 /nfs/dbraw/zinc/81/25/29/555812529.db2.gz ZCEGTUVNOFCGKF-SQHAQQRYSA-N 1 1 430.592 5.663 50 0 IKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699030 555812785 /nfs/dbraw/zinc/81/27/85/555812785.db2.gz UZLQUDHJFTYUQQ-JYFHCDHNSA-N 1 1 434.555 5.433 50 0 IKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1 ZINC000002768807 555814546 /nfs/dbraw/zinc/81/45/46/555814546.db2.gz RGNGRMFUMDTHLB-UHFFFAOYSA-N 1 1 449.547 5.076 50 0 biogenic IKAAMO Cc1ccc([C@H]2C[N@H+](Cc3cccn3C)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699097 555814962 /nfs/dbraw/zinc/81/49/62/555814962.db2.gz OTBQZSDHSBFOAD-XNMGPUDCSA-N 1 1 429.608 5.100 50 0 IKAAMO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(F)c3)CC2)nc1)c1ccccc1 ZINC000034681892 555815651 /nfs/dbraw/zinc/81/56/51/555815651.db2.gz KEPVZRORLUARHL-RUZDIDTESA-N 1 1 446.570 5.065 50 0 IKAAMO Cc1cccc([C@H]2C[C@H](C(=O)NCCc3ccccc3)C[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711211 555824469 /nfs/dbraw/zinc/82/44/69/555824469.db2.gz YDMKWTYGMQDKGS-UIOOFZCWSA-N 1 1 430.567 5.099 50 0 IKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccccc3F)C2)c1 ZINC000034711418 555824487 /nfs/dbraw/zinc/82/44/87/555824487.db2.gz YBHSIBMBIOMRIC-RPWUZVMVSA-N 1 1 434.530 5.195 50 0 IKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cccc3ccccc32)cc1 ZINC000002870040 555849353 /nfs/dbraw/zinc/84/93/53/555849353.db2.gz MXVJGZJJYDRWDM-UHFFFAOYSA-N 1 1 439.555 6.212 50 0 IKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(OC)c(OC)c2)cc1 ZINC000002870348 555849377 /nfs/dbraw/zinc/84/93/77/555849377.db2.gz NIHQGIYIOVZJLS-UHFFFAOYSA-N 1 1 449.547 5.076 50 0 IKAAMO COc1ccc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1OCc1ccccc1 ZINC000002893953 555859894 /nfs/dbraw/zinc/85/98/94/555859894.db2.gz WGSFHARFJCITJV-UHFFFAOYSA-N 1 1 437.583 6.519 50 0 IKAAMO O=C(NCc1ccccc1F)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739927 555882952 /nfs/dbraw/zinc/88/29/52/555882952.db2.gz JLVMWHNVEXFVBI-WIOPSUGQSA-N 1 1 436.958 5.749 50 0 IKAAMO O=C(NCc1ccccc1F)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739928 555883005 /nfs/dbraw/zinc/88/30/05/555883005.db2.gz JLVMWHNVEXFVBI-RDGATRHJSA-N 1 1 436.958 5.749 50 0 IKAAMO O=C(NCc1ccccc1F)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739926 555883020 /nfs/dbraw/zinc/88/30/20/555883020.db2.gz JLVMWHNVEXFVBI-DHLKQENFSA-N 1 1 436.958 5.749 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3sccc3C)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740310 555883266 /nfs/dbraw/zinc/88/32/66/555883266.db2.gz REBILFASLJNVIA-VWNXMTODSA-N 1 1 442.669 5.421 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740309 555883336 /nfs/dbraw/zinc/88/33/36/555883336.db2.gz FTEMDHPRYDJKCC-ZJSXRUAMSA-N 1 1 428.642 5.113 50 0 IKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c2cccc(F)c2)C1 ZINC000034740469 555883597 /nfs/dbraw/zinc/88/35/97/555883597.db2.gz QHFBKWCRDQTFGI-GMAHTHKFSA-N 1 1 430.633 5.552 50 0 IKAAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740807 555883975 /nfs/dbraw/zinc/88/39/75/555883975.db2.gz NUMPGQUHOIMTSA-XUZZJYLKSA-N 1 1 430.995 5.588 50 0 IKAAMO CCOc1cccc(-c2cccc(-c3nc(C[N@H+]4CC[C@@H]5CCCC[C@@H]5C4)cs3)c2)c1 ZINC000034899324 555928912 /nfs/dbraw/zinc/92/89/12/555928912.db2.gz DJZKPJUAJVORQP-GBXCKJPGSA-N 1 1 432.633 6.888 50 0 IKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004201891 555976035 /nfs/dbraw/zinc/97/60/35/555976035.db2.gz AYPMXCIGTQUCFB-DNQXCXABSA-N 1 1 442.906 5.153 50 0 IKAAMO CC(C)(C)c1cc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc(C(C)(C)C)c1O ZINC000004987765 556025844 /nfs/dbraw/zinc/02/58/44/556025844.db2.gz UHHUAHDGMDLXJH-UHFFFAOYSA-N 1 1 429.648 7.232 50 0 IKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)cc1 ZINC000002714046 556129552 /nfs/dbraw/zinc/12/95/52/556129552.db2.gz VIBJPLPRNHJTGE-UHFFFAOYSA-N 1 1 428.898 6.492 50 0 IKAAMO CCCN(CCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714564 556129781 /nfs/dbraw/zinc/12/97/81/556129781.db2.gz DYPYHNXMWKFAAE-UHFFFAOYSA-N 1 1 449.396 6.476 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc(F)cc2)cc1 ZINC000002715212 556130117 /nfs/dbraw/zinc/13/01/17/556130117.db2.gz LZJQLOOESYFBKB-UHFFFAOYSA-N 1 1 438.506 6.237 50 0 IKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC2=CCCCC2)cc1 ZINC000002714990 556130291 /nfs/dbraw/zinc/13/02/91/556130291.db2.gz GICPNRPQZODSDX-UHFFFAOYSA-N 1 1 428.967 7.043 50 0 IKAAMO CCC[N@@H+](CC1CC1)[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000008414700 556167346 /nfs/dbraw/zinc/16/73/46/556167346.db2.gz FMWUSZZVKQEKSI-NRFANRHFSA-N 1 1 433.577 5.026 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000008414662 556167368 /nfs/dbraw/zinc/16/73/68/556167368.db2.gz SKFHLRLOYXFONB-GHTZIAJQSA-N 1 1 433.577 5.168 50 0 IKAAMO CCOC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000008433112 556172372 /nfs/dbraw/zinc/17/23/72/556172372.db2.gz AMLYYMWFIXAKAR-UHFFFAOYSA-N 1 1 434.989 5.224 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000009066239 556244810 /nfs/dbraw/zinc/24/48/10/556244810.db2.gz GSWNPNRRJILESS-SFHVURJKSA-N 1 1 434.348 5.732 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000009066239 556244816 /nfs/dbraw/zinc/24/48/16/556244816.db2.gz GSWNPNRRJILESS-SFHVURJKSA-N 1 1 434.348 5.732 50 0 IKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(SC)cc2)cc1 ZINC000009860928 556314270 /nfs/dbraw/zinc/31/42/70/556314270.db2.gz LSWCYRQKLGYGDA-UHFFFAOYSA-N 1 1 435.589 5.781 50 0 IKAAMO COc1ccc(CN2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1OCc1ccccc1 ZINC000009933427 556316886 /nfs/dbraw/zinc/31/68/86/556316886.db2.gz XQWPPHISSMSWKL-UHFFFAOYSA-N 1 1 442.603 5.297 50 0 IKAAMO CC[N@@H+]1CCc2nc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)sc2C1 ZINC000032753141 556322170 /nfs/dbraw/zinc/32/21/70/556322170.db2.gz QEUVOOMYDHNYAQ-UHFFFAOYSA-N 1 1 436.562 5.157 50 0 IKAAMO CC[N@H+]1CCc2nc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)sc2C1 ZINC000032753141 556322174 /nfs/dbraw/zinc/32/21/74/556322174.db2.gz QEUVOOMYDHNYAQ-UHFFFAOYSA-N 1 1 436.562 5.157 50 0 IKAAMO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013952236 556344178 /nfs/dbraw/zinc/34/41/78/556344178.db2.gz VIBKGPKZVWQFHK-UHFFFAOYSA-N 1 1 437.543 5.197 50 0 IKAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cc(C(C)C)n[nH]4)C3)cc2)c1 ZINC000011664566 556345160 /nfs/dbraw/zinc/34/51/60/556345160.db2.gz ZYGZIPWXWYBMPX-NRFANRHFSA-N 1 1 432.568 5.059 50 0 IKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)c(C)c1 ZINC000011753535 556348826 /nfs/dbraw/zinc/34/88/26/556348826.db2.gz FMRJTABDCCPCDD-GOSISDBHSA-N 1 1 434.502 5.653 50 0 IKAAMO O=C(COc1ccc2ccccc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014009292 556354128 /nfs/dbraw/zinc/35/41/28/556354128.db2.gz IYMUSRQISKIQFR-UHFFFAOYSA-N 1 1 436.555 5.152 50 0 IKAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](CCC(=O)Nc4ccccc4F)C3)c2)n1 ZINC000011817909 556360047 /nfs/dbraw/zinc/36/00/47/556360047.db2.gz RMTLLXIHIDOLOB-NRFANRHFSA-N 1 1 434.559 5.259 50 0 IKAAMO Cn1cc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011817976 556360531 /nfs/dbraw/zinc/36/05/31/556360531.db2.gz ZJJLWCHSSIXXJP-UHFFFAOYSA-N 1 1 446.595 5.076 50 0 IKAAMO Cn1cc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000011817976 556360534 /nfs/dbraw/zinc/36/05/34/556360534.db2.gz ZJJLWCHSSIXXJP-UHFFFAOYSA-N 1 1 446.595 5.076 50 0 IKAAMO O=C(c1cc2ccccc2o1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000011874620 556370724 /nfs/dbraw/zinc/37/07/24/556370724.db2.gz YAUWEXCOWZTTHC-QFIPXVFZSA-N 1 1 437.628 5.016 50 0 IKAAMO O=C(c1cc2ccccc2o1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000011874620 556370727 /nfs/dbraw/zinc/37/07/27/556370727.db2.gz YAUWEXCOWZTTHC-QFIPXVFZSA-N 1 1 437.628 5.016 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000011879978 556372263 /nfs/dbraw/zinc/37/22/63/556372263.db2.gz XSPFUPZJZCVFMK-UHFFFAOYSA-N 1 1 426.442 5.487 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000011879978 556372268 /nfs/dbraw/zinc/37/22/68/556372268.db2.gz XSPFUPZJZCVFMK-UHFFFAOYSA-N 1 1 426.442 5.487 50 0 IKAAMO COc1ccc(-n2cc(C[NH2+][C@@H](C)c3csc(C)n3)c(-c3ccccc3Cl)n2)cc1 ZINC000011934563 556377477 /nfs/dbraw/zinc/37/74/77/556377477.db2.gz GERSQPYVLHQNQE-HNNXBMFYSA-N 1 1 438.984 5.817 50 0 IKAAMO O=C(CCCc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011937063 556379080 /nfs/dbraw/zinc/37/90/80/556379080.db2.gz XMGZMLYRFJPZQI-AREMUKBSSA-N 1 1 433.640 5.478 50 0 IKAAMO O=C(N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1)C1(c2ccccc2)CC1 ZINC000011936874 556379205 /nfs/dbraw/zinc/37/92/05/556379205.db2.gz SRDTXHUMIONURP-DEOSSOPVSA-N 1 1 431.624 5.187 50 0 IKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)c(C)c1 ZINC000011944312 556379946 /nfs/dbraw/zinc/37/99/46/556379946.db2.gz RRLKYHCKDSUQNS-GOSISDBHSA-N 1 1 432.511 5.236 50 0 IKAAMO OC[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000011949048 556380308 /nfs/dbraw/zinc/38/03/08/556380308.db2.gz LRWVCSHHXZZASV-HSZRJFAPSA-N 1 1 430.976 5.420 50 0 IKAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3[nH]c4c(cccc4C)c3C)C2)c1 ZINC000011957073 556381135 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5.896 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2c2ccccc2)cc1 ZINC000248099197 556664083 /nfs/dbraw/zinc/66/40/83/556664083.db2.gz JCSKEPZSDKRCKX-SXOMAYOGSA-N 1 1 430.592 5.602 50 0 IKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248115419 556666032 /nfs/dbraw/zinc/66/60/32/556666032.db2.gz IKQVHZNUXVEFTF-IGKIAQTJSA-N 1 1 447.598 5.178 50 0 IKAAMO CC(C)(C)[PH+](c1ccccc1-n1nc(-c2ccccc2)cc1-c1ccccc1)C(C)(C)C ZINC000044583865 556667041 /nfs/dbraw/zinc/66/70/41/556667041.db2.gz JAIIBHBCNPAPPF-UHFFFAOYSA-N 1 1 440.571 7.911 50 0 IKAAMO O=c1[nH]c(C[N@H+]2CCCC3(CCCCC3)C2)nc2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000018284863 556689079 /nfs/dbraw/zinc/68/90/79/556689079.db2.gz KTKCDBRTSAHEMW-UHFFFAOYSA-N 1 1 431.624 5.741 50 0 biogenic IKAAMO CSc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)c1 ZINC000013573476 556699144 /nfs/dbraw/zinc/69/91/44/556699144.db2.gz CRVUUBTYQNLMAN-SFHVURJKSA-N 1 1 433.712 5.791 50 0 IKAAMO Cc1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036823 556719599 /nfs/dbraw/zinc/71/95/99/556719599.db2.gz WNHKQAAWIUNWOR-UHFFFAOYSA-N 1 1 441.550 5.601 50 0 IKAAMO COc1ccc2[nH]c(CN(Cc3cccnc3)CC3CC[NH+](C4CCCC4)CC3)c(C)c2c1 ZINC000055054765 556733062 /nfs/dbraw/zinc/73/30/62/556733062.db2.gz OQLIWICBGFESLZ-UHFFFAOYSA-N 1 1 446.639 5.537 50 0 IKAAMO CC(=O)Nc1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000055166252 556736397 /nfs/dbraw/zinc/73/63/97/556736397.db2.gz GNEYUFAQVQXLDT-JOCHJYFZSA-N 1 1 447.545 5.050 50 0 IKAAMO CC(=O)Nc1ccc(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000055166252 556736398 /nfs/dbraw/zinc/73/63/98/556736398.db2.gz GNEYUFAQVQXLDT-JOCHJYFZSA-N 1 1 447.545 5.050 50 0 IKAAMO CC(=O)Nc1ccc(C[N@H+](C)C[C@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000055166252 556736399 /nfs/dbraw/zinc/73/63/99/556736399.db2.gz GNEYUFAQVQXLDT-JOCHJYFZSA-N 1 1 447.545 5.050 50 0 IKAAMO CC(=O)Nc1ccc(C[N@@H+](C)C[C@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000055166252 556736400 /nfs/dbraw/zinc/73/64/00/556736400.db2.gz GNEYUFAQVQXLDT-JOCHJYFZSA-N 1 1 447.545 5.050 50 0 IKAAMO CCn1nc(C)c(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000055242549 556738663 /nfs/dbraw/zinc/73/86/63/556738663.db2.gz HLTGPZYGCXKWPE-UHFFFAOYSA-N 1 1 445.655 5.138 50 0 IKAAMO COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCC[N@@H+](Cc1sccc1C)C2 ZINC000055281714 556739761 /nfs/dbraw/zinc/73/97/61/556739761.db2.gz ZMHXPLVPBVKBMB-UHFFFAOYSA-N 1 1 429.969 5.789 50 0 IKAAMO COc1ccc([C@H](NC(=O)N(CC2CC2)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(C)C)cc1 ZINC000604404108 556745523 /nfs/dbraw/zinc/74/55/23/556745523.db2.gz JNOSKHWMPVDLKQ-ICDZXHCJSA-N 1 1 427.633 5.078 50 0 biogenic IKAAMO Cc1c(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1C ZINC000019371981 556748766 /nfs/dbraw/zinc/74/87/66/556748766.db2.gz RTMRSMKPNRDRKC-UHFFFAOYSA-N 1 1 437.587 5.077 50 0 IKAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000058160422 556764326 /nfs/dbraw/zinc/76/43/26/556764326.db2.gz WJJMKBPCVDAWRD-AREMUKBSSA-N 1 1 441.575 5.334 50 0 IKAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000058160426 556764494 /nfs/dbraw/zinc/76/44/94/556764494.db2.gz ASIJORRVWBKIIA-RUZDIDTESA-N 1 1 427.548 5.026 50 0 IKAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058164488 556766453 /nfs/dbraw/zinc/76/64/53/556766453.db2.gz KDHVDEPHRNYAJC-XMMPIXPASA-N 1 1 445.563 5.995 50 0 IKAAMO Brc1cccc(-c2nnc(C[N@@H+](CCc3ccccc3)C3CCCC3)o2)c1 ZINC000058370773 556783676 /nfs/dbraw/zinc/78/36/76/556783676.db2.gz BIOBQBJMCPITIJ-UHFFFAOYSA-N 1 1 426.358 5.486 50 0 IKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(c2ccccc2)CC1 ZINC000021798035 556815628 /nfs/dbraw/zinc/81/56/28/556815628.db2.gz REGHWWYLDSKJPG-UHFFFAOYSA-N 1 1 445.570 5.723 50 0 IKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1cccs1 ZINC000033059883 556816547 /nfs/dbraw/zinc/81/65/47/556816547.db2.gz GJGRDZCTUSDLIW-QGZVFWFLSA-N 1 1 438.622 5.179 50 0 IKAAMO Cc1cc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)ccc1Br ZINC000019596560 556830738 /nfs/dbraw/zinc/83/07/38/556830738.db2.gz LKYRNLLPXOAWGJ-UHFFFAOYSA-N 1 1 435.365 5.568 50 0 IKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccccc1Cl ZINC000019631348 556832584 /nfs/dbraw/zinc/83/25/84/556832584.db2.gz GYKCDVMBFOGVGQ-UHFFFAOYSA-N 1 1 440.374 5.568 50 0 IKAAMO CC(C)c1csc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3Cl)CC2)n1 ZINC000067840876 556847204 /nfs/dbraw/zinc/84/72/04/556847204.db2.gz BLJLQLSDZWAZSD-UHFFFAOYSA-N 1 1 444.004 5.206 50 0 IKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000019732657 556876657 /nfs/dbraw/zinc/87/66/57/556876657.db2.gz AZBZPIPASSJNGS-MUUNZHRXSA-N 1 1 443.974 6.658 50 0 IKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000019732657 556876661 /nfs/dbraw/zinc/87/66/61/556876661.db2.gz AZBZPIPASSJNGS-MUUNZHRXSA-N 1 1 443.974 6.658 50 0 IKAAMO CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019758843 556902675 /nfs/dbraw/zinc/90/26/75/556902675.db2.gz XGZDCBGAMNLKSW-UHFFFAOYSA-N 1 1 433.602 5.118 50 0 IKAAMO CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000019758843 556902678 /nfs/dbraw/zinc/90/26/78/556902678.db2.gz XGZDCBGAMNLKSW-UHFFFAOYSA-N 1 1 433.602 5.118 50 0 IKAAMO CC(C)(C)c1cc([C@H](c2cccc3ccccc32)[NH+]2CCOCC2)cc(C(C)(C)C)c1O ZINC000019773221 556913498 /nfs/dbraw/zinc/91/34/98/556913498.db2.gz UHDCPMAUPDJITQ-AREMUKBSSA-N 1 1 431.620 6.562 50 0 IKAAMO Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4n[nH]cc4-c4c(F)cccc4F)C3)cn2)cc1 ZINC000019794967 556916054 /nfs/dbraw/zinc/91/60/54/556916054.db2.gz CLJRWMKVSMLGHD-QGZVFWFLSA-N 1 1 437.469 5.059 50 0 IKAAMO Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1Cl)N1NC=NC1=[NH+]2 ZINC000019799277 556917028 /nfs/dbraw/zinc/91/70/28/556917028.db2.gz ZQUHRYQPJMGUNJ-DHIUTWEWSA-N 1 1 447.325 5.798 50 0 IKAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000019827912 556926263 /nfs/dbraw/zinc/92/62/63/556926263.db2.gz CJWLTJVGYWCHJK-UHFFFAOYSA-N 1 1 435.571 5.422 50 0 IKAAMO Cc1onc(-c2ccccc2)c1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835162 556928071 /nfs/dbraw/zinc/92/80/71/556928071.db2.gz GCECNMVHHYKTRO-UHFFFAOYSA-N 1 1 435.527 5.178 50 0 IKAAMO CCN(CC)c1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842753 556929798 /nfs/dbraw/zinc/92/97/98/556929798.db2.gz WKJAXUPQDFYJGS-UHFFFAOYSA-N 1 1 443.660 5.616 50 0 IKAAMO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)N1NC=NC1=[NH+]2 ZINC000019892167 556939836 /nfs/dbraw/zinc/93/98/36/556939836.db2.gz IOTSMFPFDZENLI-BJKOFHAPSA-N 1 1 442.906 5.153 50 0 IKAAMO C[NH+](C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@H](C(C)(C)C)C2 ZINC000019908561 556942684 /nfs/dbraw/zinc/94/26/84/556942684.db2.gz NMPDSIZNJLGZDF-AWEZNQCLSA-N 1 1 448.032 5.305 50 0 IKAAMO C[NH+](C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@@H](C(C)(C)C)C2 ZINC000019908564 556942699 /nfs/dbraw/zinc/94/26/99/556942699.db2.gz NMPDSIZNJLGZDF-CQSZACIVSA-N 1 1 448.032 5.305 50 0 IKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)[nH+]1 ZINC000072442321 556973420 /nfs/dbraw/zinc/97/34/20/556973420.db2.gz IZKHBMDHGLSHER-UHFFFAOYSA-N 1 1 425.895 5.174 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)cc(N2CCCC2)[nH+]1 ZINC000072442321 556973423 /nfs/dbraw/zinc/97/34/23/556973423.db2.gz IZKHBMDHGLSHER-UHFFFAOYSA-N 1 1 425.895 5.174 50 0 IKAAMO O=C1/C(=C\c2ccccc2F)c2ccccc2N1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000072422424 556977497 /nfs/dbraw/zinc/97/74/97/556977497.db2.gz QSVUBIDKDCGRNB-PLRJNAJWSA-N 1 1 426.535 5.625 50 0 IKAAMO c1ccc(C(C[N@H+]2CCC[C@H](N3CCN(c4ccccc4)CC3)C2)c2ccccc2)cc1 ZINC000020166121 556993640 /nfs/dbraw/zinc/99/36/40/556993640.db2.gz WCADAWCJNRQLBH-NDEPHWFRSA-N 1 1 425.620 5.105 50 0 IKAAMO O=C(c1nc2sccn2c1C[N@H+]1CCC[C@@H](c2ccccc2)C1)N1CCCCCCC1 ZINC000020210237 556998617 /nfs/dbraw/zinc/99/86/17/556998617.db2.gz GGMBDMXTFTXZHT-OAQYLSRUSA-N 1 1 436.625 5.182 50 0 IKAAMO CC(C)COc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347256 557009065 /nfs/dbraw/zinc/00/90/65/557009065.db2.gz UZPLZYCBDDVFEJ-UHFFFAOYSA-N 1 1 428.576 5.269 50 0 IKAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1OC ZINC000020351159 557009249 /nfs/dbraw/zinc/00/92/49/557009249.db2.gz ATTHSMBIXSOKOI-CQSZACIVSA-N 1 1 447.913 5.405 50 0 IKAAMO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000020432016 557016184 /nfs/dbraw/zinc/01/61/84/557016184.db2.gz ZQULYNPKHXTJFS-JOCHJYFZSA-N 1 1 428.479 6.276 50 0 IKAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432052 557016571 /nfs/dbraw/zinc/01/65/71/557016571.db2.gz ZHQMWHOTURVILU-UHFFFAOYSA-N 1 1 437.465 5.625 50 0 IKAAMO Cc1cc[nH+]c(N[C@@H](c2ccsc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000043220773 557022645 /nfs/dbraw/zinc/02/26/45/557022645.db2.gz XBFCGBMCHAYRRM-QFIPXVFZSA-N 1 1 449.601 6.439 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032522 557025073 /nfs/dbraw/zinc/02/50/73/557025073.db2.gz JSRNFJYVULZSNE-UHFFFAOYSA-N 1 1 438.641 5.734 50 0 IKAAMO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032479 557025086 /nfs/dbraw/zinc/02/50/86/557025086.db2.gz FEXMJJYMGKQWJO-UHFFFAOYSA-N 1 1 440.613 5.010 50 0 IKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1ccc2c(c1)OCO2 ZINC000021798018 557026777 /nfs/dbraw/zinc/02/67/77/557026777.db2.gz JPRPZKTXRMYTOW-UHFFFAOYSA-N 1 1 434.499 5.737 50 0 IKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 ZINC000021797967 557026920 /nfs/dbraw/zinc/02/69/20/557026920.db2.gz FOSRCNDLMQNPHP-UHFFFAOYSA-N 1 1 434.543 6.059 50 0 IKAAMO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C(C)C)C3)cc1 ZINC000023153842 557028734 /nfs/dbraw/zinc/02/87/34/557028734.db2.gz IRPWKBDMARFQMR-UHFFFAOYSA-N 1 1 447.629 6.352 50 0 IKAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C1 ZINC000048286726 557053004 /nfs/dbraw/zinc/05/30/04/557053004.db2.gz HEBOOVWOUMFNKF-NRFANRHFSA-N 1 1 431.580 5.213 50 0 IKAAMO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Br ZINC000017312609 557055922 /nfs/dbraw/zinc/05/59/22/557055922.db2.gz RTRYSOIFJKAPNF-OAHLLOKOSA-N 1 1 443.772 6.206 50 0 IKAAMO Cc1cccc(CN(Cn2nc([C@@H](C)[NH+](C)C)n(-c3ccc(F)cc3)c2=S)C2CC2)c1 ZINC000048354143 557072273 /nfs/dbraw/zinc/07/22/73/557072273.db2.gz WXLLETMEJISFCN-GOSISDBHSA-N 1 1 439.604 5.096 50 0 IKAAMO Cc1nc2ccccc2nc1C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023248953 557078350 /nfs/dbraw/zinc/07/83/50/557078350.db2.gz VMKGPXINKSUETK-UHFFFAOYSA-N 1 1 444.529 5.124 50 0 IKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4cccc(C)c4)ccc3[nH+]2)cc1 ZINC000033310112 557093277 /nfs/dbraw/zinc/09/32/77/557093277.db2.gz OGKWWHSDGFCVTH-UHFFFAOYSA-N 1 1 437.543 5.608 50 0 IKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)[nH+]1 ZINC000033318578 557100200 /nfs/dbraw/zinc/10/02/00/557100200.db2.gz RALYUQCXAWQUDO-UHFFFAOYSA-N 1 1 436.947 5.816 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033318578 557100203 /nfs/dbraw/zinc/10/02/03/557100203.db2.gz RALYUQCXAWQUDO-UHFFFAOYSA-N 1 1 436.947 5.816 50 0 IKAAMO CSc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326697 557108666 /nfs/dbraw/zinc/10/86/66/557108666.db2.gz MAXRFSQPDAGRQC-UHFFFAOYSA-N 1 1 434.569 5.495 50 0 IKAAMO CSc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000033326697 557108671 /nfs/dbraw/zinc/10/86/71/557108671.db2.gz MAXRFSQPDAGRQC-UHFFFAOYSA-N 1 1 434.569 5.495 50 0 IKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033326747 557108732 /nfs/dbraw/zinc/10/87/32/557108732.db2.gz XBWVRLBSIVUQEH-UHFFFAOYSA-N 1 1 446.555 5.926 50 0 IKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033326747 557108736 /nfs/dbraw/zinc/10/87/36/557108736.db2.gz XBWVRLBSIVUQEH-UHFFFAOYSA-N 1 1 446.555 5.926 50 0 IKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326750 557108842 /nfs/dbraw/zinc/10/88/42/557108842.db2.gz FGOHNKULAAOJLP-UHFFFAOYSA-N 1 1 430.556 6.226 50 0 IKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)[nH+]c(C)n3)cc2)c1 ZINC000033326750 557108845 /nfs/dbraw/zinc/10/88/45/557108845.db2.gz FGOHNKULAAOJLP-UHFFFAOYSA-N 1 1 430.556 6.226 50 0 IKAAMO CCCc1nc(-c2cc3ccc(C)cc3nc2NCC[N@H+]2CCc3ccccc3C2)no1 ZINC000033331587 557115295 /nfs/dbraw/zinc/11/52/95/557115295.db2.gz HSXCQGFHJPDVCI-UHFFFAOYSA-N 1 1 427.552 5.016 50 0 IKAAMO CC(=O)N(Cc1ccc(F)cc1)C[C@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 ZINC000034699256 557136937 /nfs/dbraw/zinc/13/69/37/557136937.db2.gz AGZRYJRNGBYATC-PXJZQJOASA-N 1 1 444.594 5.707 50 0 IKAAMO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1c1ccc(C)cc1 ZINC000034699257 557136945 /nfs/dbraw/zinc/13/69/45/557136945.db2.gz AGZRYJRNGBYATC-YTMVLYRLSA-N 1 1 444.594 5.707 50 0 IKAAMO FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000024668132 557158065 /nfs/dbraw/zinc/15/80/65/557158065.db2.gz ZXSUYZHXFHPNGC-OAHLLOKOSA-N 1 1 428.414 5.276 50 0 IKAAMO FC(F)(F)c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)c1 ZINC000024668139 557158076 /nfs/dbraw/zinc/15/80/76/557158076.db2.gz ZXSUYZHXFHPNGC-HNNXBMFYSA-N 1 1 428.414 5.276 50 0 IKAAMO Fc1ccc(C(CCC[N@@H+]2CC=C(Oc3cccc(F)c3)CC2)c2ccc(F)cc2)cc1 ZINC000095918219 557161628 /nfs/dbraw/zinc/16/16/28/557161628.db2.gz DNLQOCOBXJCVFO-UHFFFAOYSA-N 1 1 437.505 6.685 50 0 IKAAMO CCSC[C@H]1CCC[N@H+]1C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000206792679 557163765 /nfs/dbraw/zinc/16/37/65/557163765.db2.gz XPILJYWQYIYPSA-XMMPIXPASA-N 1 1 437.653 5.168 50 0 IKAAMO COc1ccc2oc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)c2c1 ZINC000024764361 557164959 /nfs/dbraw/zinc/16/49/59/557164959.db2.gz FOXGQIGYVLXEEV-UHFFFAOYSA-N 1 1 440.543 5.297 50 0 IKAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000025575456 557215347 /nfs/dbraw/zinc/21/53/47/557215347.db2.gz LJSOACZAHXWTPC-DHIUTWEWSA-N 1 1 447.325 5.798 50 0 IKAAMO Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)N1NC=NC1=[NH+]2 ZINC000025783753 557226161 /nfs/dbraw/zinc/22/61/61/557226161.db2.gz FQYHPBCXTOWINF-PKTZIBPZSA-N 1 1 430.870 5.283 50 0 IKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)c1cccc2ccccc21 ZINC000012843162 557262469 /nfs/dbraw/zinc/26/24/69/557262469.db2.gz DSUKMZNKKNRQEE-UHFFFAOYSA-N 1 1 439.534 5.553 50 0 IKAAMO Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3)ncn2)c1 ZINC000033260951 557329760 /nfs/dbraw/zinc/32/97/60/557329760.db2.gz IOLGBRKLLUWMDL-NRFANRHFSA-N 1 1 443.595 5.190 50 0 IKAAMO Cc1oc(C(C)(C)C)cc1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000023328550 557338057 /nfs/dbraw/zinc/33/80/57/557338057.db2.gz XNTOLMZACOVYNX-SANMLTNESA-N 1 1 430.592 5.741 50 0 IKAAMO Cc1ccccc1[C@@H]1[NH2+][C@H](c2ccccc2C)[C@@H](c2ccccc2)C(=O)[C@H]1c1ccccc1 ZINC000072170937 557338707 /nfs/dbraw/zinc/33/87/07/557338707.db2.gz GLGDFPUNSJTPGO-RLQUZOAZSA-N 1 1 431.579 6.826 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cc1 ZINC000023333227 557347106 /nfs/dbraw/zinc/34/71/06/557347106.db2.gz VESXKSBGMBVWDL-DEOSSOPVSA-N 1 1 439.481 5.351 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cc(Cl)cnc3Cl)CC2)cc1 ZINC000023334888 557349746 /nfs/dbraw/zinc/34/97/46/557349746.db2.gz RPGPQXHUKATFRC-QFIPXVFZSA-N 1 1 440.374 5.244 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cc(Cl)cnc3Cl)CC2)cc1 ZINC000023334889 557349767 /nfs/dbraw/zinc/34/97/67/557349767.db2.gz RPGPQXHUKATFRC-JOCHJYFZSA-N 1 1 440.374 5.244 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000023335301 557350266 /nfs/dbraw/zinc/35/02/66/557350266.db2.gz SBKBAFWYXIPRFY-XMMPIXPASA-N 1 1 438.493 5.561 50 0 IKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1)C1CCCCC1 ZINC000023352682 557350610 /nfs/dbraw/zinc/35/06/10/557350610.db2.gz OSVNPWUANAYFJN-UHFFFAOYSA-N 1 1 440.678 6.572 50 0 IKAAMO C[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(-c4cccc(OC(F)(F)F)c4)c3)n2)C1 ZINC000023430707 557355268 /nfs/dbraw/zinc/35/52/68/557355268.db2.gz PWBHRVRXSNEEDE-INIZCTEOSA-N 1 1 432.511 6.608 50 0 IKAAMO CCCC[N@@H+](Cc1csc(-c2cccc(-c3ccccc3OC)c2)n1)Cc1ccccc1 ZINC000023461849 557361163 /nfs/dbraw/zinc/36/11/63/557361163.db2.gz GAULFTQEQORZKH-UHFFFAOYSA-N 1 1 442.628 7.288 50 0 IKAAMO Cc1ccccc1[C@@H]1[NH2+][C@H](c2ccccc2C)[C@H](c2ccccc2)C(=O)[C@H]1c1ccccc1 ZINC000103586347 557439884 /nfs/dbraw/zinc/43/98/84/557439884.db2.gz GLGDFPUNSJTPGO-GCXHJFECSA-N 1 1 431.579 6.826 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105019193 557473084 /nfs/dbraw/zinc/47/30/84/557473084.db2.gz ILZJSOAWGWCXME-BVAGGSTKSA-N 1 1 440.603 5.191 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105042170 557473502 /nfs/dbraw/zinc/47/35/02/557473502.db2.gz SFWPBGNZGFMNNH-RPLLCQBOSA-N 1 1 448.582 5.741 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105041763 557473607 /nfs/dbraw/zinc/47/36/07/557473607.db2.gz CDIYKANMJTXJDE-IGKIAQTJSA-N 1 1 429.608 5.100 50 0 IKAAMO O=C(c1ccccc1)N(C[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000105041426 557473629 /nfs/dbraw/zinc/47/36/29/557473629.db2.gz XTXXUZNVFNJAAJ-LBNVMWSVSA-N 1 1 441.619 5.705 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(C(=O)C3CCCC3)C(C)C)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105052887 557474682 /nfs/dbraw/zinc/47/46/82/557474682.db2.gz UGQGMBVZTJYOJV-RCZVLFRGSA-N 1 1 426.576 5.370 50 0 IKAAMO Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000040043256 557677588 /nfs/dbraw/zinc/67/75/88/557677588.db2.gz IBJZFGOMBJXOBT-SFHVURJKSA-N 1 1 448.032 5.261 50 0 IKAAMO CCN(CC)C(=O)c1ccc(Nc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)cc1 ZINC000018899841 557862735 /nfs/dbraw/zinc/86/27/35/557862735.db2.gz OQKFDFFFOGKTKO-UHFFFAOYSA-N 1 1 437.613 5.130 50 0 IKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc(Sc3ccc(F)cc3)nc3ccccc32)C1 ZINC000008583231 562949766 /nfs/dbraw/zinc/94/97/66/562949766.db2.gz LOKUFWAMTJUEKD-SFHVURJKSA-N 1 1 437.584 5.377 50 0 IKAAMO CCOc1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)cc1 ZINC000008590246 562951595 /nfs/dbraw/zinc/95/15/95/562951595.db2.gz SSJKNHHNQHOGKG-QGZVFWFLSA-N 1 1 438.597 5.198 50 0 IKAAMO COc1ccc(Nc2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000008595299 562953425 /nfs/dbraw/zinc/95/34/25/562953425.db2.gz FSRSCAYXXWHWIO-UHFFFAOYSA-N 1 1 446.595 5.371 50 0 IKAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cc2ccccc2o1 ZINC000012026945 562980433 /nfs/dbraw/zinc/98/04/33/562980433.db2.gz LAWLMWXCXTWFNM-LJQANCHMSA-N 1 1 444.497 5.478 50 0 IKAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c(C)n1 ZINC000012072992 562980730 /nfs/dbraw/zinc/98/07/30/562980730.db2.gz RTFURTSIKJGZHS-JOCHJYFZSA-N 1 1 441.579 5.210 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017113399 563021366 /nfs/dbraw/zinc/02/13/66/563021366.db2.gz LDASSBMVRRUNIQ-UHFFFAOYSA-N 1 1 433.602 6.044 50 0 IKAAMO O[C@@H](C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000104983661 568622934 /nfs/dbraw/zinc/62/29/34/568622934.db2.gz RXGRISKPTXXVQF-NOZRDPDXSA-N 1 1 438.930 5.208 50 0 IKAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000025464487 568660579 /nfs/dbraw/zinc/66/05/79/568660579.db2.gz SVABAGPKYOIOEM-UHFFFAOYSA-N 1 1 441.934 5.009 50 0 IKAAMO CCn1c2ccccc2c2cc([P@](=[NH+]c3ccccc3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012639687 568760990 /nfs/dbraw/zinc/76/09/90/568760990.db2.gz STUOLAWXUNLGIB-YTTGMZPUSA-N 1 1 443.575 7.782 50 0 IKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(-c3ccccc3)c(N3CCCCC3)s2)C1 ZINC000015732233 568815099 /nfs/dbraw/zinc/81/50/99/568815099.db2.gz WEDMEFRCVRYXNG-HXUWFJFHSA-N 1 1 425.642 5.257 50 0 IKAAMO COC(CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1)OC ZINC000001447678 568817693 /nfs/dbraw/zinc/81/76/93/568817693.db2.gz PPQFCISJZPTJCF-UHFFFAOYSA-N 1 1 442.441 5.137 50 0 IKAAMO Cc1ccc(F)c(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3cccc(F)c3)C2)c1 ZINC000034740461 568824586 /nfs/dbraw/zinc/82/45/86/568824586.db2.gz BFMPFGNAXIQXGE-ZCYQVOJMSA-N 1 1 442.594 5.629 50 0 IKAAMO Cc1ncc(C[N@H+](C)C2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000085878958 568838973 /nfs/dbraw/zinc/83/89/73/568838973.db2.gz YLNBZYPJSQFFHU-UHFFFAOYSA-N 1 1 446.503 5.403 50 0 biogenic IKAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1 ZINC000015862360 568848637 /nfs/dbraw/zinc/84/86/37/568848637.db2.gz YQQFUUWMJFUCEH-UHFFFAOYSA-N 1 1 426.560 5.746 50 0 IKAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1 ZINC000015862361 568848643 /nfs/dbraw/zinc/84/86/43/568848643.db2.gz BNXFNYYUTUQPHT-UHFFFAOYSA-N 1 1 426.560 5.746 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)N1CCCc3ccccc31)[C@@H]2c1ccccc1 ZINC000015864853 568850280 /nfs/dbraw/zinc/85/02/80/568850280.db2.gz FTEOHRNJMDCPCH-AREMUKBSSA-N 1 1 430.617 5.546 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1cccc(Br)c1)[C@H]2c1ccccc1 ZINC000015864906 568850283 /nfs/dbraw/zinc/85/02/83/568850283.db2.gz HSHRTZSJGUFDJW-QFIPXVFZSA-N 1 1 426.423 6.529 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(C)cc3)oc1C)[C@@H]2c1ccccc1 ZINC000015864877 568850320 /nfs/dbraw/zinc/85/03/20/568850320.db2.gz FTEXZDQPZDDIIW-AREMUKBSSA-N 1 1 442.628 7.038 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccccc3C)oc1C)[C@@H]2c1ccccc1 ZINC000015864861 568850380 /nfs/dbraw/zinc/85/03/80/568850380.db2.gz RSKCCVXMDUHQSA-AREMUKBSSA-N 1 1 442.628 7.038 50 0 IKAAMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@H](c1ccc(C3CCCCC3)cc1)C(C)C)[nH]c2=O ZINC000016046621 568868881 /nfs/dbraw/zinc/86/88/81/568868881.db2.gz CUZLZOIMKUUONN-VWLOTQADSA-N 1 1 447.579 5.657 50 0 IKAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065624 568945349 /nfs/dbraw/zinc/94/53/49/568945349.db2.gz YWWNIAIRIWKJDM-HXUWFJFHSA-N 1 1 437.559 5.407 50 0 IKAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)c(C)c1 ZINC000036065624 568945350 /nfs/dbraw/zinc/94/53/50/568945350.db2.gz YWWNIAIRIWKJDM-HXUWFJFHSA-N 1 1 437.559 5.407 50 0 IKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)c(C)c1 ZINC000036099020 568952127 /nfs/dbraw/zinc/95/21/27/568952127.db2.gz RRJCIWRXKVJOTI-XMMPIXPASA-N 1 1 427.947 5.538 50 0 IKAAMO Cc1cccc(N[C@@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1 ZINC000064790096 568957313 /nfs/dbraw/zinc/95/73/13/568957313.db2.gz OBUAFTKVUWQOPI-QFIPXVFZSA-N 1 1 449.601 6.439 50 0 IKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)cc1 ZINC000064801387 568960927 /nfs/dbraw/zinc/96/09/27/568960927.db2.gz LYJDODQFMLTJHU-UHFFFAOYSA-N 1 1 430.556 6.226 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801275 568960970 /nfs/dbraw/zinc/96/09/70/568960970.db2.gz NWGMCPPRERIVNB-UHFFFAOYSA-N 1 1 436.947 5.735 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801688 568961551 /nfs/dbraw/zinc/96/15/51/568961551.db2.gz FLAYQEMRNXWDAT-UHFFFAOYSA-N 1 1 434.519 6.056 50 0 IKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064801501 568961577 /nfs/dbraw/zinc/96/15/77/568961577.db2.gz LZVIMGAJWPMYMT-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO O[C@H](C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000036146240 568962268 /nfs/dbraw/zinc/96/22/68/568962268.db2.gz IFAYMVSPTMFJPH-SQJMNOBHSA-N 1 1 438.930 5.208 50 0 IKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccs3)c3cccs3)o2)C2CC2)cc1 ZINC000036202827 568972532 /nfs/dbraw/zinc/97/25/32/568972532.db2.gz OZUXKTCBVWPKKZ-UHFFFAOYSA-N 1 1 435.614 6.160 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000169681694 568992643 /nfs/dbraw/zinc/99/26/43/568992643.db2.gz GKXFADCWXQLVNI-URLMMPGGSA-N 1 1 440.631 6.070 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036301736 568993968 /nfs/dbraw/zinc/99/39/68/568993968.db2.gz RGFSPVYDWPWDEH-JOCHJYFZSA-N 1 1 442.003 5.855 50 0 IKAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036306162 568995369 /nfs/dbraw/zinc/99/53/69/568995369.db2.gz KBCMZDMWWUAEON-PZJWPPBQSA-N 1 1 437.584 5.259 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC ZINC000036305885 568995451 /nfs/dbraw/zinc/99/54/51/568995451.db2.gz PXRMKMGNVAJUJW-OAQYLSRUSA-N 1 1 437.584 5.261 50 0 IKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306243 568995455 /nfs/dbraw/zinc/99/54/55/568995455.db2.gz QKSFCSIAEGGXNL-NRFANRHFSA-N 1 1 437.584 5.261 50 0 IKAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000036321643 569000572 /nfs/dbraw/zinc/00/05/72/569000572.db2.gz YVMWNDCPJMVOFO-UXHICEINSA-N 1 1 448.636 5.493 50 0 IKAAMO C[N@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036340960 569079139 /nfs/dbraw/zinc/07/91/39/569079139.db2.gz RMEUIOVDWIYDHT-DEOSSOPVSA-N 1 1 435.930 5.289 50 0 IKAAMO C[N@@H+](CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036340960 569079140 /nfs/dbraw/zinc/07/91/40/569079140.db2.gz RMEUIOVDWIYDHT-DEOSSOPVSA-N 1 1 435.930 5.289 50 0 IKAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341152 569079142 /nfs/dbraw/zinc/07/91/42/569079142.db2.gz SPEUIBQAPKGHSK-VWLOTQADSA-N 1 1 447.966 5.158 50 0 IKAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341152 569079143 /nfs/dbraw/zinc/07/91/43/569079143.db2.gz SPEUIBQAPKGHSK-VWLOTQADSA-N 1 1 447.966 5.158 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341966 569079655 /nfs/dbraw/zinc/07/96/55/569079655.db2.gz GBWGOVTZPUKORX-QFIPXVFZSA-N 1 1 437.584 5.211 50 0 IKAAMO COc1ccccc1C1=NN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H](c2ccccc2Cl)C1 ZINC000036343941 569079882 /nfs/dbraw/zinc/07/98/82/569079882.db2.gz OVGAFIXEHSNZBW-XMMPIXPASA-N 1 1 447.966 5.158 50 0 IKAAMO COc1ccccc1C1=NN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](c2ccccc2Cl)C1 ZINC000036343941 569079884 /nfs/dbraw/zinc/07/98/84/569079884.db2.gz OVGAFIXEHSNZBW-XMMPIXPASA-N 1 1 447.966 5.158 50 0 IKAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343815 569079927 /nfs/dbraw/zinc/07/99/27/569079927.db2.gz MOBPMCMDZLCTPU-RUZDIDTESA-N 1 1 431.967 5.458 50 0 IKAAMO Cc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343815 569079928 /nfs/dbraw/zinc/07/99/28/569079928.db2.gz MOBPMCMDZLCTPU-RUZDIDTESA-N 1 1 431.967 5.458 50 0 IKAAMO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036344039 569080027 /nfs/dbraw/zinc/08/00/27/569080027.db2.gz FGCGLJYAVFQICN-AREMUKBSSA-N 1 1 449.595 5.036 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036344993 569080467 /nfs/dbraw/zinc/08/04/67/569080467.db2.gz JDFKBVDUCHLALL-MHZLTWQESA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c(C)c1 ZINC000036344993 569080468 /nfs/dbraw/zinc/08/04/68/569080468.db2.gz JDFKBVDUCHLALL-MHZLTWQESA-N 1 1 425.576 5.422 50 0 IKAAMO COc1ccccc1[C@H]1CC(c2ccc(C)cc2C)=NN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000036345344 569080696 /nfs/dbraw/zinc/08/06/96/569080696.db2.gz UUVLNDQEGMBCQK-AREMUKBSSA-N 1 1 441.575 5.122 50 0 IKAAMO COc1ccccc1[C@H]1CC(c2ccc(C)cc2C)=NN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000036345344 569080697 /nfs/dbraw/zinc/08/06/97/569080697.db2.gz UUVLNDQEGMBCQK-AREMUKBSSA-N 1 1 441.575 5.122 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345967 569080762 /nfs/dbraw/zinc/08/07/62/569080762.db2.gz LPRKPLQJBXWIAT-NRFANRHFSA-N 1 1 425.548 5.341 50 0 IKAAMO Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000036345743 569080864 /nfs/dbraw/zinc/08/08/64/569080864.db2.gz YTYFOMBPHYXQLU-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000036345743 569080865 /nfs/dbraw/zinc/08/08/65/569080865.db2.gz YTYFOMBPHYXQLU-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346111 569080870 /nfs/dbraw/zinc/08/08/70/569080870.db2.gz ALQOWNIJEQASPP-VWLOTQADSA-N 1 1 449.639 6.291 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036345881 569080878 /nfs/dbraw/zinc/08/08/78/569080878.db2.gz GJPIWIZRVLGGMV-DEOSSOPVSA-N 1 1 449.595 5.032 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036345881 569080879 /nfs/dbraw/zinc/08/08/79/569080879.db2.gz GJPIWIZRVLGGMV-DEOSSOPVSA-N 1 1 449.595 5.032 50 0 IKAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345771 569080899 /nfs/dbraw/zinc/08/08/99/569080899.db2.gz QCBFJZWRPBJDRL-MHZLTWQESA-N 1 1 441.575 5.122 50 0 IKAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccc(C)cc3C)C2)cc1 ZINC000036345771 569080900 /nfs/dbraw/zinc/08/09/00/569080900.db2.gz QCBFJZWRPBJDRL-MHZLTWQESA-N 1 1 441.575 5.122 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346292 569081015 /nfs/dbraw/zinc/08/10/15/569081015.db2.gz QRXNRDNESRKLRX-JOCHJYFZSA-N 1 1 425.548 5.484 50 0 IKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346370 569081087 /nfs/dbraw/zinc/08/10/87/569081087.db2.gz IRCKNPSLJQZOHV-QHCPKHFHSA-N 1 1 439.575 5.875 50 0 IKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346218 569081224 /nfs/dbraw/zinc/08/12/24/569081224.db2.gz CQFPJYLGLUTQFX-HSZRJFAPSA-N 1 1 439.575 5.731 50 0 IKAAMO CCCC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346793 569081293 /nfs/dbraw/zinc/08/12/93/569081293.db2.gz MTFAWIREHLAKGH-DEOSSOPVSA-N 1 1 449.639 6.197 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@H](O)CC ZINC000036346657 569081304 /nfs/dbraw/zinc/08/13/04/569081304.db2.gz OLJNWYMDXONNSS-OAQYLSRUSA-N 1 1 429.511 5.234 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C[C@@H](O)CC ZINC000036346658 569081357 /nfs/dbraw/zinc/08/13/57/569081357.db2.gz OLJNWYMDXONNSS-NRFANRHFSA-N 1 1 429.511 5.234 50 0 IKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346525 569081398 /nfs/dbraw/zinc/08/13/98/569081398.db2.gz UQHGIWDOHWROTQ-DEOSSOPVSA-N 1 1 449.639 6.297 50 0 IKAAMO CCC[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@@H](C)O ZINC000036346495 569081453 /nfs/dbraw/zinc/08/14/53/569081453.db2.gz WQEGMGAKCLAMKY-HXUWFJFHSA-N 1 1 437.584 5.389 50 0 IKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036347370 569081479 /nfs/dbraw/zinc/08/14/79/569081479.db2.gz QYDBYGXEKLRPLS-NRFANRHFSA-N 1 1 438.415 6.521 50 0 IKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)cc1 ZINC000036347370 569081481 /nfs/dbraw/zinc/08/14/81/569081481.db2.gz QYDBYGXEKLRPLS-NRFANRHFSA-N 1 1 438.415 6.521 50 0 IKAAMO Clc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347877 569081783 /nfs/dbraw/zinc/08/17/83/569081783.db2.gz UMQIIRGGOJFWIZ-HHHXNRCGSA-N 1 1 428.963 6.929 50 0 IKAAMO Clc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347877 569081784 /nfs/dbraw/zinc/08/17/84/569081784.db2.gz UMQIIRGGOJFWIZ-HHHXNRCGSA-N 1 1 428.963 6.929 50 0 IKAAMO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[N@@H+](C)C4CCCCC4)cc3)ccc21 ZINC000065026883 569089999 /nfs/dbraw/zinc/08/99/99/569089999.db2.gz UJSRHRXAMHCSOH-UHFFFAOYSA-N 1 1 447.623 5.037 50 0 IKAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000065322290 569136581 /nfs/dbraw/zinc/13/65/81/569136581.db2.gz SYVZLASWXJXSGE-UHFFFAOYSA-N 1 1 440.975 5.274 50 0 IKAAMO C[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239338724 569138941 /nfs/dbraw/zinc/13/89/41/569138941.db2.gz LBMQWGLSKLHDSA-XRAHJXPYSA-N 1 1 445.606 7.163 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662160 569160945 /nfs/dbraw/zinc/16/09/45/569160945.db2.gz NYMNHIOZXYHXJA-RTBURBONSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662160 569160946 /nfs/dbraw/zinc/16/09/46/569160946.db2.gz NYMNHIOZXYHXJA-RTBURBONSA-N 1 1 446.979 5.144 50 0 IKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2-c2nc3ccccc3s2)C1 ZINC000016916150 569166168 /nfs/dbraw/zinc/16/61/68/569166168.db2.gz QAGAXSDPXGZNAE-UHFFFAOYSA-N 1 1 446.022 5.980 50 0 IKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2-c2nc3ccccc3s2)C1 ZINC000016916150 569166170 /nfs/dbraw/zinc/16/61/70/569166170.db2.gz QAGAXSDPXGZNAE-UHFFFAOYSA-N 1 1 446.022 5.980 50 0 IKAAMO O=C(Nc1cccc(Cl)c1)N(CCC[NH+]1CCOCC1)Cc1cccc2ccccc21 ZINC000017143659 569174627 /nfs/dbraw/zinc/17/46/27/569174627.db2.gz QCSSKOHFOIFFKZ-UHFFFAOYSA-N 1 1 437.971 5.250 50 0 IKAAMO CCc1nc([C@H](C)NC(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000252477145 569185740 /nfs/dbraw/zinc/18/57/40/569185740.db2.gz IYDKMQODXPBXBZ-GHTZIAJQSA-N 1 1 444.645 5.368 50 0 IKAAMO O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037580704 569202045 /nfs/dbraw/zinc/20/20/45/569202045.db2.gz KJIPCYLNIMCMJB-UHFFFAOYSA-N 1 1 442.456 5.554 50 0 IKAAMO COc1cccc(N(C(=O)c2cccs2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000037587978 569202083 /nfs/dbraw/zinc/20/20/83/569202083.db2.gz YDDRYCUWNMMXPZ-UHFFFAOYSA-N 1 1 442.531 5.346 50 0 IKAAMO O=C(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037580703 569202085 /nfs/dbraw/zinc/20/20/85/569202085.db2.gz WVMNGKYUHJORRZ-UHFFFAOYSA-N 1 1 442.456 5.554 50 0 IKAAMO C[N@H+]1[C@H](c2ccccc2)C2(S[C@H]1c1ccccc1)c1ccccc1Sc1ccccc12 ZINC000252626771 569203380 /nfs/dbraw/zinc/20/33/80/569203380.db2.gz RFLHEKITURKEQY-SXOMAYOGSA-N 1 1 437.633 7.514 50 0 IKAAMO C[N@@H+]1[C@H](c2ccccc2)C2(S[C@H]1c1ccccc1)c1ccccc1Sc1ccccc12 ZINC000252626771 569203382 /nfs/dbraw/zinc/20/33/82/569203382.db2.gz RFLHEKITURKEQY-SXOMAYOGSA-N 1 1 437.633 7.514 50 0 IKAAMO C[C@@H]1CC[C@@]2(C)[C@@H]3C[C@H]4[C@@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@H](C)CC[C@@H]4[C@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000252640380 569208737 /nfs/dbraw/zinc/20/87/37/569208737.db2.gz YSOKTNCRCPDOCA-IPZBKKJUSA-N 1 1 427.673 5.162 50 0 IKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000002251799 569214092 /nfs/dbraw/zinc/21/40/92/569214092.db2.gz PLRPYOYQYJRQAL-FCHUYYIVSA-N 1 1 432.936 5.514 50 0 IKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000002246493 569214377 /nfs/dbraw/zinc/21/43/77/569214377.db2.gz ACSNALGVCSBTNO-NHCUHLMSSA-N 1 1 436.899 5.345 50 0 IKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000002246492 569214417 /nfs/dbraw/zinc/21/44/17/569214417.db2.gz ACSNALGVCSBTNO-RTWAWAEBSA-N 1 1 436.899 5.345 50 0 IKAAMO Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002254027 569216656 /nfs/dbraw/zinc/21/66/56/569216656.db2.gz QPEYPTRPRMVWMZ-DHIUTWEWSA-N 1 1 448.860 5.422 50 0 IKAAMO C[N@@H+]1C(c2ccccc2)=C2C(=C(c3ccccc3)S[C@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000025557682 569257381 /nfs/dbraw/zinc/25/73/81/569257381.db2.gz AGWKWLAMWBICBO-MVSFAKPFSA-N 1 1 443.615 7.984 50 0 IKAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000253375747 569264192 /nfs/dbraw/zinc/26/41/92/569264192.db2.gz QUZJKKHHGAZCKG-ILBGXUMGSA-N 1 1 449.595 5.033 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000253375747 569264193 /nfs/dbraw/zinc/26/41/93/569264193.db2.gz QUZJKKHHGAZCKG-ILBGXUMGSA-N 1 1 449.595 5.033 50 0 IKAAMO C[N@@H+](C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@H]1CCCc2ccccc21 ZINC000239412567 569268869 /nfs/dbraw/zinc/26/88/69/569268869.db2.gz SWALGPRZWCNYDD-LSYYVWMOSA-N 1 1 429.604 5.762 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@H+](Cc2cncnc2)Cc2cccc(Cl)c2F)CC1 ZINC000241157290 569269043 /nfs/dbraw/zinc/26/90/43/569269043.db2.gz JWLYWFQKQHWPAP-LJQANCHMSA-N 1 1 448.970 5.061 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]([N@@H+](Cc2cncnc2)Cc2cccc(Cl)c2F)CC1 ZINC000241157290 569269045 /nfs/dbraw/zinc/26/90/45/569269045.db2.gz JWLYWFQKQHWPAP-LJQANCHMSA-N 1 1 448.970 5.061 50 0 IKAAMO C[C@H]1[C@H](c2ccccc2)[N@H+](C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245309141 569269801 /nfs/dbraw/zinc/26/98/01/569269801.db2.gz BPODYCZWRPAIBO-KVKKZVFNSA-N 1 1 437.627 7.295 50 0 IKAAMO C[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1 ZINC000254818926 569273924 /nfs/dbraw/zinc/27/39/24/569273924.db2.gz MZIWRSXHNVMYEY-LKNTUJRUSA-N 1 1 439.650 5.665 50 0 IKAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1 ZINC000254818926 569273925 /nfs/dbraw/zinc/27/39/25/569273925.db2.gz MZIWRSXHNVMYEY-LKNTUJRUSA-N 1 1 439.650 5.665 50 0 IKAAMO CC(C)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000299785379 569283642 /nfs/dbraw/zinc/28/36/42/569283642.db2.gz YLSUOAVZPWMSNH-VWNXMTODSA-N 1 1 444.541 5.842 50 0 IKAAMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)C1 ZINC000008888307 569292046 /nfs/dbraw/zinc/29/20/46/569292046.db2.gz GDBDLBPXGKPWAX-FCHUYYIVSA-N 1 1 426.343 6.314 50 0 IKAAMO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000013057102 569308398 /nfs/dbraw/zinc/30/83/98/569308398.db2.gz RQIZSHRBFCRCBE-GJZGRUSLSA-N 1 1 434.989 5.162 50 0 IKAAMO C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)OC[N@H+]2C1 ZINC000070691806 569315434 /nfs/dbraw/zinc/31/54/34/569315434.db2.gz GRMUAQMHJKQVFL-IIGAACAISA-N 1 1 427.673 5.629 50 0 biogenic IKAAMO C[C@@H]1CN(CC2(C[N@@H+]3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596144 569317858 /nfs/dbraw/zinc/31/78/58/569317858.db2.gz VBNMDIBAJVSUIU-IYRWYFENSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1CN(CC2(C[N@H+]3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596144 569317859 /nfs/dbraw/zinc/31/78/59/569317859.db2.gz VBNMDIBAJVSUIU-IYRWYFENSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1C[N@@H+](CC2(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596144 569317860 /nfs/dbraw/zinc/31/78/60/569317860.db2.gz VBNMDIBAJVSUIU-IYRWYFENSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1C[N@H+](CC2(CN3C[C@H](C)O[C@@H](c4ccsc4)C3)CCC2)C[C@H](c2ccsc2)O1 ZINC000328596144 569317861 /nfs/dbraw/zinc/31/78/61/569317861.db2.gz VBNMDIBAJVSUIU-IYRWYFENSA-N 1 1 446.682 5.204 50 0 IKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@H](c3nccs3)C3CC3)c2c1C ZINC000078903348 569320212 /nfs/dbraw/zinc/32/02/12/569320212.db2.gz UVHBJHWATQVZOX-IBGZPJMESA-N 1 1 427.643 5.560 50 0 IKAAMO Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019864043 569330766 /nfs/dbraw/zinc/33/07/66/569330766.db2.gz ZQDQTBRVRBLLEB-MUUNZHRXSA-N 1 1 439.559 5.112 50 0 IKAAMO COc1ccc(Cl)cc1NC(=S)N(CCC[N@H+]1CCC[C@H](C)C1)Cc1ccco1 ZINC000020107778 569334425 /nfs/dbraw/zinc/33/44/25/569334425.db2.gz ZDBFJMCTADYOFO-KRWDZBQOSA-N 1 1 436.021 5.263 50 0 IKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000020241037 569357962 /nfs/dbraw/zinc/35/79/62/569357962.db2.gz RKGGBSVKGXHFPX-UKILVPOCSA-N 1 1 443.591 5.364 50 0 IKAAMO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-n4cc[nH+]c4C)cc3)c12 ZINC000095101207 569358217 /nfs/dbraw/zinc/35/82/17/569358217.db2.gz RFASUBIFRVJMLA-UHFFFAOYSA-N 1 1 448.530 5.353 50 0 IKAAMO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCC[N@H+](C)C4CCCCC4)cc3NC2=O)cc1 ZINC000020355343 569361189 /nfs/dbraw/zinc/36/11/89/569361189.db2.gz SUCADDZKDUQQRE-LFVJCYFKSA-N 1 1 449.620 5.075 50 0 IKAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000095357434 569362245 /nfs/dbraw/zinc/36/22/45/569362245.db2.gz FOVYAIOYDGIAEN-UHFFFAOYSA-N 1 1 449.982 5.557 50 0 IKAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000095357434 569362247 /nfs/dbraw/zinc/36/22/47/569362247.db2.gz FOVYAIOYDGIAEN-UHFFFAOYSA-N 1 1 449.982 5.557 50 0 IKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+]3CCCC[C@H]3C)cc21 ZINC000020440020 569365745 /nfs/dbraw/zinc/36/57/45/569365745.db2.gz IKXAZHVMIKPYHS-AUSIDOKSSA-N 1 1 434.580 5.064 50 0 IKAAMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CC1)CC(C)C ZINC000095459687 569369502 /nfs/dbraw/zinc/36/95/02/569369502.db2.gz AUDBGPQUSOFHER-UHFFFAOYSA-N 1 1 445.648 5.165 50 0 IKAAMO Cc1ncc(C[NH2+]Cc2ccco2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095478804 569373538 /nfs/dbraw/zinc/37/35/38/569373538.db2.gz JAKQPOGKTZCNBS-UHFFFAOYSA-N 1 1 425.282 5.013 50 0 IKAAMO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@H+](C)C3CCCCC3)cc(=O)oc2c1C ZINC000095479742 569373805 /nfs/dbraw/zinc/37/38/05/569373805.db2.gz BQMXQHLYQWQUAQ-UHFFFAOYSA-N 1 1 430.548 6.291 50 0 IKAAMO COc1cccc([C@@]2(C)CC[N@@H+](CCC=C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1 ZINC000096027705 569380736 /nfs/dbraw/zinc/38/07/36/569380736.db2.gz VLVGEWFINOURNZ-NDEPHWFRSA-N 1 1 433.542 6.459 50 0 IKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(Cl)cc2)CC1 ZINC000096276157 569388533 /nfs/dbraw/zinc/38/85/33/569388533.db2.gz ICIMWFNJQOBRGE-LJQANCHMSA-N 1 1 430.379 5.161 50 0 IKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(OC)cc32)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096278142 569388991 /nfs/dbraw/zinc/38/89/91/569388991.db2.gz YLFIJDNTYXAWEX-HSZRJFAPSA-N 1 1 447.623 5.160 50 0 IKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3occc3c(Nc3ccc(Cl)cc3)n2)C1 ZINC000096323650 569395344 /nfs/dbraw/zinc/39/53/44/569395344.db2.gz VDBJCQQITOAMNS-MRXNPFEDSA-N 1 1 426.948 5.077 50 0 IKAAMO CC(C)(C)c1cc(C(=O)CN2c3ccccc3N3CCCC[NH+]=C23)cc(C(C)(C)C)c1O ZINC000334163492 569402251 /nfs/dbraw/zinc/40/22/51/569402251.db2.gz UYRQJSLZUFWSDH-UHFFFAOYSA-N 1 1 433.596 5.646 50 0 IKAAMO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 ZINC000002714789 569417906 /nfs/dbraw/zinc/41/79/06/569417906.db2.gz OOYFYQMWQFXQDH-GHTZIAJQSA-N 1 1 428.555 6.853 50 0 IKAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c(C)c1 ZINC000056907175 569427542 /nfs/dbraw/zinc/42/75/42/569427542.db2.gz AJSQXEIJTXRYBI-UHFFFAOYSA-N 1 1 432.528 5.090 50 0 IKAAMO Cc1sc2nc(-c3ccccn3)nc(NCCc3[nH+]ccn3C)c2c1-c1ccccc1 ZINC000057265274 569430304 /nfs/dbraw/zinc/43/03/04/569430304.db2.gz UNJOXPHRRVTXRM-UHFFFAOYSA-N 1 1 426.549 5.117 50 0 IKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)c1 ZINC000002974978 569433589 /nfs/dbraw/zinc/43/35/89/569433589.db2.gz PFNYAIFJIDKMPN-UHFFFAOYSA-N 1 1 445.353 7.006 50 0 IKAAMO Cc1nn2c(nc(C[N@H+](Cc3c(F)cccc3Cl)[C@@H]3CCC[C@@H](C)[C@H]3C)cc2=O)s1 ZINC000230094562 569436199 /nfs/dbraw/zinc/43/61/99/569436199.db2.gz NBVDQWMITURYPV-ARGWCVDVSA-N 1 1 448.995 5.079 50 0 IKAAMO Cc1nn2c(nc(C[N@@H+](Cc3c(F)cccc3Cl)[C@@H]3CCC[C@@H](C)[C@H]3C)cc2=O)s1 ZINC000230094562 569436200 /nfs/dbraw/zinc/43/62/00/569436200.db2.gz NBVDQWMITURYPV-ARGWCVDVSA-N 1 1 448.995 5.079 50 0 IKAAMO C[N@@H+](CCNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)Cc1ccccc1 ZINC000003040020 569438027 /nfs/dbraw/zinc/43/80/27/569438027.db2.gz ITIHPMQSMGIRAZ-UHFFFAOYSA-N 1 1 445.563 5.387 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)c3ccccc3n2)cc1C ZINC000003046058 569438648 /nfs/dbraw/zinc/43/86/48/569438648.db2.gz BTQCEIHXSLQSCV-UHFFFAOYSA-N 1 1 429.608 5.903 50 0 IKAAMO C[N@@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1)C1CCCCC1 ZINC000003054347 569439329 /nfs/dbraw/zinc/43/93/29/569439329.db2.gz WXVGVIICPOGGPE-HKOYGPOVSA-N 1 1 449.620 5.156 50 0 IKAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000057541857 569439529 /nfs/dbraw/zinc/43/95/29/569439529.db2.gz GZQOVTRWNODYQI-SZNDQCEHSA-N 1 1 432.948 5.564 50 0 IKAAMO Cc1ccc([C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000230155880 569439611 /nfs/dbraw/zinc/43/96/11/569439611.db2.gz FAVFHMFMHYJSGQ-IZZNHLLZSA-N 1 1 432.633 5.823 50 0 IKAAMO CCOP(=O)(OCC)[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[NH+]1CCCCC1 ZINC000058002241 569444460 /nfs/dbraw/zinc/44/44/60/569444460.db2.gz DYXCUYFLLIJQRH-JOCHJYFZSA-N 1 1 439.577 6.738 50 0 biogenic IKAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 ZINC000058014283 569444951 /nfs/dbraw/zinc/44/49/51/569444951.db2.gz AQGYQZSVWYQBQA-UHFFFAOYSA-N 1 1 449.514 5.136 50 0 IKAAMO CCC[N@H+](CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc32)oc1=S ZINC000003338173 569446684 /nfs/dbraw/zinc/44/66/84/569446684.db2.gz RARYGNSWANEAEX-UHFFFAOYSA-N 1 1 431.565 5.562 50 0 IKAAMO CCC[N@@H+](CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc32)oc1=S ZINC000003338173 569446685 /nfs/dbraw/zinc/44/66/85/569446685.db2.gz RARYGNSWANEAEX-UHFFFAOYSA-N 1 1 431.565 5.562 50 0 IKAAMO Cc1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(Cl)cc4)CC2)n1)CCCCC3 ZINC000058146508 569448822 /nfs/dbraw/zinc/44/88/22/569448822.db2.gz JYMNOBYDIUXUAB-UHFFFAOYSA-N 1 1 427.017 5.244 50 0 IKAAMO COc1cccc(C[NH2+][C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 ZINC000003476720 569452241 /nfs/dbraw/zinc/45/22/41/569452241.db2.gz AREIIBMOMBLEJN-OAQYLSRUSA-N 1 1 448.872 5.837 50 0 IKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1Cl ZINC000003662320 569456018 /nfs/dbraw/zinc/45/60/18/569456018.db2.gz QDUMZEJPZMSQSY-QGZVFWFLSA-N 1 1 436.090 6.031 50 0 IKAAMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)cc1OC ZINC000004155301 569460589 /nfs/dbraw/zinc/46/05/89/569460589.db2.gz KNVPQEQMYNQSPZ-UHFFFAOYSA-N 1 1 430.346 5.526 50 0 IKAAMO CCc1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545922 569463306 /nfs/dbraw/zinc/46/33/06/569463306.db2.gz QXSAZXPMSRJTAR-NRFANRHFSA-N 1 1 428.985 6.385 50 0 IKAAMO CCc1cc([C@H](c2cccc(Cl)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545924 569463318 /nfs/dbraw/zinc/46/33/18/569463318.db2.gz HQUVOQKUUHKZPC-NRFANRHFSA-N 1 1 428.985 6.385 50 0 IKAAMO COc1cccc([C@H](c2cc(C)sc2NC(=O)c2ccco2)[NH+]2CCCCC2)c1OC ZINC000038545905 569463358 /nfs/dbraw/zinc/46/33/58/569463358.db2.gz ALAAMVDEQPAGEA-OAQYLSRUSA-N 1 1 440.565 5.494 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)c1C ZINC000038546749 569463644 /nfs/dbraw/zinc/46/36/44/569463644.db2.gz MPXDDFUCOKNUOZ-QFIPXVFZSA-N 1 1 439.650 5.324 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccsc2)N2CC[NH+](C)CC2)c1C ZINC000038546763 569463647 /nfs/dbraw/zinc/46/36/47/569463647.db2.gz OYFCXMFVTHIJBR-LJQANCHMSA-N 1 1 431.652 5.077 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1C ZINC000038546722 569463725 /nfs/dbraw/zinc/46/37/25/569463725.db2.gz DGHJGFJQLIJLNI-OAQYLSRUSA-N 1 1 425.623 5.016 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccc(F)cc2)c1C ZINC000038547040 569463762 /nfs/dbraw/zinc/46/37/62/569463762.db2.gz MLFBBFWUPNVHOI-DEOSSOPVSA-N 1 1 445.563 6.661 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038547087 569463788 /nfs/dbraw/zinc/46/37/88/569463788.db2.gz TYLTVBGCDMVHQK-JOCHJYFZSA-N 1 1 433.602 6.529 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000038547054 569463790 /nfs/dbraw/zinc/46/37/90/569463790.db2.gz UYRZXIKOUXPNGZ-QHCPKHFHSA-N 1 1 428.561 5.863 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)cc[nH+]2)c2cccs2)c1C ZINC000038547538 569463792 /nfs/dbraw/zinc/46/37/92/569463792.db2.gz HZUMYJQCVUWHLG-JOCHJYFZSA-N 1 1 433.602 6.584 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547844 569463862 /nfs/dbraw/zinc/46/38/62/569463862.db2.gz WHEDCWMQZGLCLC-HSZRJFAPSA-N 1 1 431.561 6.369 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2F)c1C ZINC000038547592 569463880 /nfs/dbraw/zinc/46/38/80/569463880.db2.gz WCBUPSRQNPHYEZ-QFIPXVFZSA-N 1 1 435.524 6.254 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547846 569463914 /nfs/dbraw/zinc/46/39/14/569463914.db2.gz WHEDCWMQZGLCLC-QHCPKHFHSA-N 1 1 431.561 6.369 50 0 IKAAMO O=C(CSC1=[NH+]C2(CCCCC2)C2=C(CCCC2)N1)c1ccc(Br)cc1 ZINC000008767637 569474910 /nfs/dbraw/zinc/47/49/10/569474910.db2.gz FUPZCHFYXLJHDO-UHFFFAOYSA-N 1 1 433.415 5.855 50 0 IKAAMO CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC[N@@H+](C(C)C)C2 ZINC000008793045 569476295 /nfs/dbraw/zinc/47/62/95/569476295.db2.gz LYIXHEBZSLJKOJ-UHFFFAOYSA-N 1 1 447.409 5.312 50 0 IKAAMO CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC[N@H+](C(C)C)C2 ZINC000008793045 569476296 /nfs/dbraw/zinc/47/62/96/569476296.db2.gz LYIXHEBZSLJKOJ-UHFFFAOYSA-N 1 1 447.409 5.312 50 0 IKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2nnc(-c3c(C)onc3-c3ccccc3)o2)cc1 ZINC000008880982 569482869 /nfs/dbraw/zinc/48/28/69/569482869.db2.gz ONIIWURLKHRGIM-QFIPXVFZSA-N 1 1 444.535 5.826 50 0 IKAAMO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000040033492 569483089 /nfs/dbraw/zinc/48/30/89/569483089.db2.gz MODKXLFNXCJTTB-WBVHZDCISA-N 1 1 444.457 5.167 50 0 IKAAMO CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000040086078 569486645 /nfs/dbraw/zinc/48/66/45/569486645.db2.gz UNTCFCUJSAMAJD-JXFKEZNVSA-N 1 1 431.552 5.016 50 0 IKAAMO CCOC(=O)C[C@H](c1ccc(F)cc1)C1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000040086079 569486693 /nfs/dbraw/zinc/48/66/93/569486693.db2.gz UNTCFCUJSAMAJD-OXJNMPFZSA-N 1 1 431.552 5.016 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000008923113 569486968 /nfs/dbraw/zinc/48/69/68/569486968.db2.gz VTMFBGBZMNRVMB-FQEVSTJZSA-N 1 1 427.957 5.857 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 ZINC000008923116 569487021 /nfs/dbraw/zinc/48/70/21/569487021.db2.gz VTMFBGBZMNRVMB-HXUWFJFHSA-N 1 1 427.957 5.857 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(C)c(Cl)c4)o2)N3)C1 ZINC000008928042 569487353 /nfs/dbraw/zinc/48/73/53/569487353.db2.gz FXMMYXUGKAMLJI-FQEVSTJZSA-N 1 1 427.957 5.777 50 0 IKAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000040119466 569489383 /nfs/dbraw/zinc/48/93/83/569489383.db2.gz ZKNHLAGYHWUCNK-IBGZPJMESA-N 1 1 432.568 5.057 50 0 IKAAMO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000040139325 569490823 /nfs/dbraw/zinc/49/08/23/569490823.db2.gz IEXZYJMPPPXKKR-WIYYLYMNSA-N 1 1 442.987 5.116 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000009044510 569498026 /nfs/dbraw/zinc/49/80/26/569498026.db2.gz LTTSOKCDENKPEV-GOSISDBHSA-N 1 1 444.354 5.187 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 ZINC000009044510 569498027 /nfs/dbraw/zinc/49/80/27/569498027.db2.gz LTTSOKCDENKPEV-GOSISDBHSA-N 1 1 444.354 5.187 50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000009066027 569499841 /nfs/dbraw/zinc/49/98/41/569499841.db2.gz ZTXVXQYFQRBAAP-XZOQPEGZSA-N 1 1 430.870 5.283 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000245343563 569504458 /nfs/dbraw/zinc/50/44/58/569504458.db2.gz RYCIYFBAXZVXOO-BKMJKUGQSA-N 1 1 434.555 5.494 50 0 IKAAMO Cc1oc(-c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2)nc1COc1ccc(C)cc1 ZINC000009211880 569511894 /nfs/dbraw/zinc/51/18/94/569511894.db2.gz LWEYTEQLGHTZHY-HXUWFJFHSA-N 1 1 447.579 5.142 50 0 IKAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000009390309 569528664 /nfs/dbraw/zinc/52/86/64/569528664.db2.gz CULGIHAOBXRZFM-RBUKOAKNSA-N 1 1 449.982 5.463 50 0 IKAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000009390309 569528665 /nfs/dbraw/zinc/52/86/65/569528665.db2.gz CULGIHAOBXRZFM-RBUKOAKNSA-N 1 1 449.982 5.463 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000009407756 569530300 /nfs/dbraw/zinc/53/03/00/569530300.db2.gz YXMFSDIJHOBIGB-KRWDZBQOSA-N 1 1 435.058 6.059 50 0 IKAAMO CC(C)[N@@H+]([C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)C1CCCCC1 ZINC000009408773 569530679 /nfs/dbraw/zinc/53/06/79/569530679.db2.gz VOUJUMVMUCJFNY-QHCPKHFHSA-N 1 1 435.033 5.403 50 0 IKAAMO COc1ccc([C@@H]2CCCCC[N@@H+]2Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000009516822 569543496 /nfs/dbraw/zinc/54/34/96/569543496.db2.gz PIVTVJYJGDLDEM-DEOSSOPVSA-N 1 1 449.620 5.759 50 0 IKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000009516822 569543497 /nfs/dbraw/zinc/54/34/97/569543497.db2.gz PIVTVJYJGDLDEM-DEOSSOPVSA-N 1 1 449.620 5.759 50 0 IKAAMO Clc1ccc(-c2nc3ccccc3c(NCCC[N@H+]3CCc4ccccc4C3)n2)cc1 ZINC000009527118 569544674 /nfs/dbraw/zinc/54/46/74/569544674.db2.gz IZIKBACAZJUABX-UHFFFAOYSA-N 1 1 428.967 5.811 50 0 IKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000009531297 569545157 /nfs/dbraw/zinc/54/51/57/569545157.db2.gz MUCKECRIZRAIKH-TZIWHRDSSA-N 1 1 440.591 6.723 50 0 IKAAMO O=C(C[NH+]1CCCC1)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F ZINC000009592717 569550363 /nfs/dbraw/zinc/55/03/63/569550363.db2.gz KGMIMUMZDHIFLX-UHFFFAOYSA-N 1 1 443.263 5.295 50 0 IKAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598070 569551020 /nfs/dbraw/zinc/55/10/20/569551020.db2.gz ZTSKAXBPQPFBIK-UHFFFAOYSA-N 1 1 447.991 5.405 50 0 IKAAMO CCC1=Nc2cc(C(=O)NCC[N@@H+](C)C3CCCCC3)ccc2Sc2ccc(C)cc21 ZINC000009608325 569552083 /nfs/dbraw/zinc/55/20/83/569552083.db2.gz QAESBDAFBRVSPD-UHFFFAOYSA-N 1 1 435.637 5.985 50 0 IKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@@H](c2nccn2C)c2ccccc2)n1 ZINC000009608691 569552234 /nfs/dbraw/zinc/55/22/34/569552234.db2.gz AHUPZIRENNTUFS-OAQYLSRUSA-N 1 1 434.613 5.085 50 0 IKAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000009672094 569558756 /nfs/dbraw/zinc/55/87/56/569558756.db2.gz AXJSBLFALLTPFH-UHFFFAOYSA-N 1 1 434.559 5.402 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Nc2ccccc2OC)nc2ccccc21 ZINC000009680912 569560201 /nfs/dbraw/zinc/56/02/01/569560201.db2.gz ZMFDWHPVWFSEFP-FQEVSTJZSA-N 1 1 446.595 5.371 50 0 IKAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(Nc2cccc(SC)c2)nc2ccccc21 ZINC000009680845 569560209 /nfs/dbraw/zinc/56/02/09/569560209.db2.gz PGWWDRDQDKWQDZ-UHFFFAOYSA-N 1 1 436.625 5.552 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000009722300 569563451 /nfs/dbraw/zinc/56/34/51/569563451.db2.gz VPTDMYDSPHSFRE-SFHVURJKSA-N 1 1 445.032 5.340 50 0 IKAAMO OCCCNc1[nH+]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 ZINC000009731461 569564549 /nfs/dbraw/zinc/56/45/49/569564549.db2.gz YBMOYBSACHLOLF-UHFFFAOYSA-N 1 1 434.543 5.608 50 0 IKAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000009789112 569568036 /nfs/dbraw/zinc/56/80/36/569568036.db2.gz ZUZNYDUVWDRAIB-RUZDIDTESA-N 1 1 446.595 5.362 50 0 IKAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 ZINC000009789112 569568037 /nfs/dbraw/zinc/56/80/37/569568037.db2.gz ZUZNYDUVWDRAIB-RUZDIDTESA-N 1 1 446.595 5.362 50 0 IKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(SCc2cc(-c3ccco3)on2)n1 ZINC000010276957 569580388 /nfs/dbraw/zinc/58/03/88/569580388.db2.gz MBQHVGYMQZKSHC-UHFFFAOYSA-N 1 1 428.583 5.690 50 0 IKAAMO Fc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 ZINC000002714123 132256533 /nfs/dbraw/zinc/25/65/33/132256533.db2.gz XZCWZEMBVISDAX-UHFFFAOYSA-N 1 1 449.533 5.553 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)cc1Cl ZINC000002975056 132259963 /nfs/dbraw/zinc/25/99/63/132259963.db2.gz QDXBFWQKAZIOBG-QZTJIDSGSA-N 1 1 430.983 6.532 50 0 IKAAMO Cc1cc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(-c2ccccc2O)n1 ZINC000004647324 132272609 /nfs/dbraw/zinc/27/26/09/132272609.db2.gz JGHJPSFKSHJTPI-UHFFFAOYSA-N 1 1 436.559 5.069 50 0 IKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2Cl)CC1 ZINC000009313266 132313632 /nfs/dbraw/zinc/31/36/32/132313632.db2.gz GYHGEWJTTSZVPM-UHFFFAOYSA-N 1 1 449.982 5.313 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000009962323 132332862 /nfs/dbraw/zinc/33/28/62/132332862.db2.gz WTOPQRWHYJOWCJ-HSZRJFAPSA-N 1 1 437.653 5.183 50 0 IKAAMO Brc1ccc([C@H]([NH2+]CCc2ccccc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000021367012 518215634 /nfs/dbraw/zinc/21/56/34/518215634.db2.gz KYKSNCCSTPCWAJ-NRFANRHFSA-N 1 1 434.337 5.421 50 0 IKAAMO CC(=O)c1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cs1 ZINC000012583045 518276423 /nfs/dbraw/zinc/27/64/23/518276423.db2.gz IAPZJIILFPEKBP-RUZDIDTESA-N 1 1 440.653 5.152 50 0 IKAAMO CC(=O)c1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cs1 ZINC000012431728 518276516 /nfs/dbraw/zinc/27/65/16/518276516.db2.gz RZVREZBKURXSKY-IBGZPJMESA-N 1 1 438.559 5.356 50 0 IKAAMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000012094276 518420511 /nfs/dbraw/zinc/42/05/11/518420511.db2.gz RLVBCFXDOAUZOR-GOSISDBHSA-N 1 1 432.486 5.539 50 0 IKAAMO CC(C)Cc1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)[nH]n1 ZINC000020774351 519430563 /nfs/dbraw/zinc/43/05/63/519430563.db2.gz NGLJQATVGJEMAP-UHFFFAOYSA-N 1 1 434.559 5.265 50 0 IKAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)c1 ZINC000012373486 519782554 /nfs/dbraw/zinc/78/25/54/519782554.db2.gz BHAXNSOHSUVDED-QFIPXVFZSA-N 1 1 431.536 5.151 50 0 IKAAMO CC1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)c3ccc(F)cc3)cc2)CC1 ZINC000012595316 521044641 /nfs/dbraw/zinc/04/46/41/521044641.db2.gz FNLHOCYKFXYOER-VWLOTQADSA-N 1 1 437.584 5.441 50 0 IKAAMO CCC[C@H](C)c1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](CCC(C)C)CC2)n1 ZINC000035926131 521070598 /nfs/dbraw/zinc/07/05/98/521070598.db2.gz WKVAOHMUUVXRLU-NRFANRHFSA-N 1 1 434.632 5.277 50 0 IKAAMO CCOc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868327 521251177 /nfs/dbraw/zinc/25/11/77/521251177.db2.gz JMHDKOKBJNUEFO-DQEYMECFSA-N 1 1 432.004 5.088 50 0 IKAAMO CCCCc1nc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)c[nH]1 ZINC000012298573 521293613 /nfs/dbraw/zinc/29/36/13/521293613.db2.gz SAPMSGUPRIQRAZ-UHFFFAOYSA-N 1 1 434.559 5.409 50 0 IKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)C[N@@H+](C)CC3 ZINC000035426955 521540342 /nfs/dbraw/zinc/54/03/42/521540342.db2.gz AGGKBGNOIJGEMS-INIZCTEOSA-N 1 1 436.581 5.034 50 0 IKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)C[N@H+](C)CC3 ZINC000035426955 521540349 /nfs/dbraw/zinc/54/03/49/521540349.db2.gz AGGKBGNOIJGEMS-INIZCTEOSA-N 1 1 436.581 5.034 50 0 IKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)C[N@@H+](C)CC3 ZINC000035426957 521541077 /nfs/dbraw/zinc/54/10/77/521541077.db2.gz AGGKBGNOIJGEMS-MRXNPFEDSA-N 1 1 436.581 5.034 50 0 IKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)C[N@H+](C)CC3 ZINC000035426957 521541082 /nfs/dbraw/zinc/54/10/82/521541082.db2.gz AGGKBGNOIJGEMS-MRXNPFEDSA-N 1 1 436.581 5.034 50 0 IKAAMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@H+](C)Cc1sccc1C ZINC000012585494 521609404 /nfs/dbraw/zinc/60/94/04/521609404.db2.gz CQEWHNRQXQXWFL-UHFFFAOYSA-N 1 1 428.579 5.032 50 0 IKAAMO CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C[N@@H+](C)Cc1sccc1C ZINC000012585494 521609407 /nfs/dbraw/zinc/60/94/07/521609407.db2.gz CQEWHNRQXQXWFL-UHFFFAOYSA-N 1 1 428.579 5.032 50 0 IKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000020934746 521637277 /nfs/dbraw/zinc/63/72/77/521637277.db2.gz WCIVJDIJZVFCDT-JOCHJYFZSA-N 1 1 449.620 5.465 50 0 IKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000020466701 521655519 /nfs/dbraw/zinc/65/55/19/521655519.db2.gz YXEJPUJCFYRZGO-KRWDZBQOSA-N 1 1 428.001 5.495 50 0 IKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1 ZINC000020934753 521657714 /nfs/dbraw/zinc/65/77/14/521657714.db2.gz WCIVJDIJZVFCDT-QFIPXVFZSA-N 1 1 449.620 5.465 50 0 IKAAMO CCCn1ncc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)c1C ZINC000012708208 521671933 /nfs/dbraw/zinc/67/19/33/521671933.db2.gz IZBOKJBNUSMJDY-SFHVURJKSA-N 1 1 436.522 5.251 50 0 IKAAMO CCOCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1 ZINC000035844922 521704708 /nfs/dbraw/zinc/70/47/08/521704708.db2.gz SRLSDAPSOMERPI-UHFFFAOYSA-N 1 1 448.607 5.088 50 0 IKAAMO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)CCc4ccccc4)C3)c(C)o2)ccc1F ZINC000020999682 521902291 /nfs/dbraw/zinc/90/22/91/521902291.db2.gz PVHSBFJZJUPUFH-NRFANRHFSA-N 1 1 436.527 5.212 50 0 IKAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@H](C(=O)CCc4ccccc4)C3)c(C)o2)ccc1F ZINC000020999682 521902307 /nfs/dbraw/zinc/90/23/07/521902307.db2.gz PVHSBFJZJUPUFH-NRFANRHFSA-N 1 1 436.527 5.212 50 0 IKAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCc3ccc(O)cc3)c(C)o2)cc1 ZINC000012385555 521928725 /nfs/dbraw/zinc/92/87/25/521928725.db2.gz ALHJHBWKSPDDRG-QFIPXVFZSA-N 1 1 434.536 5.130 50 0 IKAAMO COc1cc(CCC2CC[NH+]([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc(OC)c1 ZINC000021396133 522326524 /nfs/dbraw/zinc/32/65/24/522326524.db2.gz USHZTYSPFKWAME-INIZCTEOSA-N 1 1 427.570 5.221 50 0 IKAAMO CN(C(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1 ZINC000012700780 522421394 /nfs/dbraw/zinc/42/13/94/522421394.db2.gz CMIRQBQWGOZGRF-UHFFFAOYSA-N 1 1 426.482 5.385 50 0 IKAAMO CN(C(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1 ZINC000012700780 522421407 /nfs/dbraw/zinc/42/14/07/522421407.db2.gz CMIRQBQWGOZGRF-UHFFFAOYSA-N 1 1 426.482 5.385 50 0 IKAAMO CC[C@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532216 522478962 /nfs/dbraw/zinc/47/89/62/522478962.db2.gz SODQEQCBYPCMJR-NRFANRHFSA-N 1 1 436.625 5.806 50 0 IKAAMO COc1cc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)cc(OC)c1 ZINC000012199631 522656086 /nfs/dbraw/zinc/65/60/86/522656086.db2.gz UYHSFJAANUQPPY-GOSISDBHSA-N 1 1 428.598 5.057 50 0 IKAAMO C[N@@H+](CCc1ccccc1)Cc1ccc(OC[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc1 ZINC000012217654 522954030 /nfs/dbraw/zinc/95/40/30/522954030.db2.gz KOQRWRCUXSEODE-SANMLTNESA-N 1 1 448.651 5.559 50 0 IKAAMO COCc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)o1 ZINC000012441107 522973987 /nfs/dbraw/zinc/97/39/87/522973987.db2.gz FPPXPTAGJUQXJI-NRFANRHFSA-N 1 1 443.547 5.425 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000020737421 523019503 /nfs/dbraw/zinc/01/95/03/523019503.db2.gz NFYSETAMGZWITF-HLJDWQABSA-N 1 1 449.620 5.156 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000012570413 523139569 /nfs/dbraw/zinc/13/95/69/523139569.db2.gz SIXFFCZHJUWMHA-JOCHJYFZSA-N 1 1 430.548 5.222 50 0 IKAAMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4cccc(Cl)c4)CC3)c(C)o2)cc1OC ZINC000011998735 523199664 /nfs/dbraw/zinc/19/96/64/523199664.db2.gz RGSOBSJKYNQJFP-UHFFFAOYSA-N 1 1 442.943 5.364 50 0 IKAAMO COCCC[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccc(C)cc1 ZINC000035841219 523264020 /nfs/dbraw/zinc/26/40/20/523264020.db2.gz VIFLKYJAQXZRKC-UHFFFAOYSA-N 1 1 430.514 5.902 50 0 IKAAMO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000012557283 523379162 /nfs/dbraw/zinc/37/91/62/523379162.db2.gz ZJOZDDOKZQCIKY-UHFFFAOYSA-N 1 1 426.504 5.271 50 0 IKAAMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000012557283 523379170 /nfs/dbraw/zinc/37/91/70/523379170.db2.gz ZJOZDDOKZQCIKY-UHFFFAOYSA-N 1 1 426.504 5.271 50 0 IKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]2c1ccccc1 ZINC000021045784 523717816 /nfs/dbraw/zinc/71/78/16/523717816.db2.gz GTXBSUDYMULIED-HSZRJFAPSA-N 1 1 442.987 5.998 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)[C@@H]2c1ccccc1 ZINC000021045784 523717822 /nfs/dbraw/zinc/71/78/22/523717822.db2.gz GTXBSUDYMULIED-HSZRJFAPSA-N 1 1 442.987 5.998 50 0 IKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccccc1Cl)[C@@H]2c1ccccc1 ZINC000021045821 523718727 /nfs/dbraw/zinc/71/87/27/523718727.db2.gz UCTQAGPMVXJMGG-XMMPIXPASA-N 1 1 439.024 5.536 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCc1ccccc1Cl)[C@@H]2c1ccccc1 ZINC000021045821 523718737 /nfs/dbraw/zinc/71/87/37/523718737.db2.gz UCTQAGPMVXJMGG-XMMPIXPASA-N 1 1 439.024 5.536 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476926 523843877 /nfs/dbraw/zinc/84/38/77/523843877.db2.gz DFWTYXJPZLYOMH-JOCHJYFZSA-N 1 1 433.602 6.529 50 0 IKAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 ZINC000012866316 524016263 /nfs/dbraw/zinc/01/62/63/524016263.db2.gz YEEQIDRCKNGTNY-BLPSWELGSA-N 1 1 449.591 5.605 50 0 biogenic IKAAMO C[NH+](C)C1(c2nnnn2[C@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCCC1 ZINC000012381216 524037719 /nfs/dbraw/zinc/03/77/19/524037719.db2.gz DLXBMYSXNLRWTC-LEVJEWGPSA-N 1 1 436.431 6.002 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916058 524103029 /nfs/dbraw/zinc/10/30/29/524103029.db2.gz LSAHWPPRDMPPKW-OAQYLSRUSA-N 1 1 448.611 5.056 50 0 IKAAMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012315504 524115208 /nfs/dbraw/zinc/11/52/08/524115208.db2.gz HVTRCFBHQZGFCT-NRFANRHFSA-N 1 1 440.927 5.768 50 0 IKAAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012315504 524115220 /nfs/dbraw/zinc/11/52/20/524115220.db2.gz HVTRCFBHQZGFCT-NRFANRHFSA-N 1 1 440.927 5.768 50 0 IKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccccc2F)CC2CC2)o1 ZINC000035845007 524415218 /nfs/dbraw/zinc/41/52/18/524415218.db2.gz ODPAPKTVOUVLIJ-UHFFFAOYSA-N 1 1 434.555 5.211 50 0 IKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccccc2F)CC2CC2)o1 ZINC000035845007 524415227 /nfs/dbraw/zinc/41/52/27/524415227.db2.gz ODPAPKTVOUVLIJ-UHFFFAOYSA-N 1 1 434.555 5.211 50 0 IKAAMO C[C@H]1CC[C@]2(C)[C@@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@@H](C)CC[C@H]4[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1 ZINC000247694632 524428216 /nfs/dbraw/zinc/42/82/16/524428216.db2.gz YSOKTNCRCPDOCA-PGWMLQGTSA-N 1 1 427.673 5.162 50 0 IKAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cc4cc5cc(C)ccc5nc4s3)C2)cc1 ZINC000021087488 524469327 /nfs/dbraw/zinc/46/93/27/524469327.db2.gz RTZOFWDMIIJJHO-HXUWFJFHSA-N 1 1 429.589 5.318 50 0 IKAAMO C[C@H](CNC(=O)c1cccs1)Oc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000012242885 524472619 /nfs/dbraw/zinc/47/26/19/524472619.db2.gz UDGYDILTLPOXTJ-LJQANCHMSA-N 1 1 445.588 5.126 50 0 IKAAMO Cc1cccc(N2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@@H]2C)c1 ZINC000012551599 524560716 /nfs/dbraw/zinc/56/07/16/524560716.db2.gz JLYCXJWRLSBINT-GOTSBHOMSA-N 1 1 443.591 5.112 50 0 IKAAMO Cc1cccc(N2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@@H]2C)c1 ZINC000012551599 524560722 /nfs/dbraw/zinc/56/07/22/524560722.db2.gz JLYCXJWRLSBINT-GOTSBHOMSA-N 1 1 443.591 5.112 50 0 IKAAMO C[C@@H](CNC(=O)c1cccs1)Oc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000012242884 524725361 /nfs/dbraw/zinc/72/53/61/524725361.db2.gz UDGYDILTLPOXTJ-IBGZPJMESA-N 1 1 445.588 5.126 50 0 IKAAMO Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000021795806 524750648 /nfs/dbraw/zinc/75/06/48/524750648.db2.gz IRPHLFVWQALKNS-UHFFFAOYSA-N 1 1 436.947 5.735 50 0 IKAAMO Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N3CCCC3)[nH+]c(C)n2)cc1 ZINC000021795806 524750658 /nfs/dbraw/zinc/75/06/58/524750658.db2.gz IRPHLFVWQALKNS-UHFFFAOYSA-N 1 1 436.947 5.735 50 0 IKAAMO COc1ccc(OC)c(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012308541 524823947 /nfs/dbraw/zinc/82/39/47/524823947.db2.gz YUNZDJBUTVIQIU-QHCPKHFHSA-N 1 1 437.628 5.146 50 0 IKAAMO Cc1ccccc1-c1ncc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000012301424 525012490 /nfs/dbraw/zinc/01/24/90/525012490.db2.gz FQSYAOGNKJLHRU-AREMUKBSSA-N 1 1 448.655 5.088 50 0 IKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@@H+](C)CC4)c(Cl)c1 ZINC000035426941 525148857 /nfs/dbraw/zinc/14/88/57/525148857.db2.gz RUGBPKHTVYAWBJ-OAHLLOKOSA-N 1 1 441.000 5.597 50 0 IKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@H+](C)CC4)c(Cl)c1 ZINC000035426941 525148864 /nfs/dbraw/zinc/14/88/64/525148864.db2.gz RUGBPKHTVYAWBJ-OAHLLOKOSA-N 1 1 441.000 5.597 50 0 IKAAMO Cc1cc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)ccc1Br ZINC000020532097 525173236 /nfs/dbraw/zinc/17/32/36/525173236.db2.gz YUUVJXJDJKQFGW-UHFFFAOYSA-N 1 1 442.401 5.060 50 0 IKAAMO Cc1cc(NC(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)ccc1Br ZINC000020532117 525177422 /nfs/dbraw/zinc/17/74/22/525177422.db2.gz DBXGERCNGFUEJA-GOSISDBHSA-N 1 1 442.401 5.060 50 0 IKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CCCCC1 ZINC000035840754 525212119 /nfs/dbraw/zinc/21/21/19/525212119.db2.gz LFJAHKJWQZYNGO-GDLZYMKVSA-N 1 1 446.635 5.557 50 0 IKAAMO Cc1[nH]c2c(cccc2C(=O)N(Cc2cccc(OC[C@H]3CCC[N@H+](C)C3)c2)C2CC2)c1C ZINC000014888482 525418389 /nfs/dbraw/zinc/41/83/89/525418389.db2.gz STAGANWJHWGPEU-QFIPXVFZSA-N 1 1 445.607 5.310 50 0 IKAAMO Cc1[nH]c2ccc(NC(=O)c3ccccc3)cc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000021805674 525430529 /nfs/dbraw/zinc/43/05/29/525430529.db2.gz GEHFKRATFUUQHB-HHHXNRCGSA-N 1 1 447.542 6.029 50 0 IKAAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012535004 525708327 /nfs/dbraw/zinc/70/83/27/525708327.db2.gz ODLFGKBQTRKFHJ-OAHLLOKOSA-N 1 1 436.606 5.877 50 0 IKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](C/C(C)=C/c2ccccc2)C3)c1OC ZINC000012453215 525711035 /nfs/dbraw/zinc/71/10/35/525711035.db2.gz NYUZWSYLUYDMRT-HMMYKYKNSA-N 1 1 445.559 5.677 50 0 IKAAMO Cc1c(C[NH2+]CCC[N@@H+](Cc2ccccc2)C(C)C)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025469 525724032 /nfs/dbraw/zinc/72/40/32/525724032.db2.gz PTEKBVTXPHUAON-UHFFFAOYSA-N 1 1 447.623 5.491 50 0 IKAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c2cccs2)cc1 ZINC000012803356 525968820 /nfs/dbraw/zinc/96/88/20/525968820.db2.gz AVPIZWUSMODFHM-VWLOTQADSA-N 1 1 447.604 5.047 50 0 IKAAMO CSc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000012244487 525994402 /nfs/dbraw/zinc/99/44/02/525994402.db2.gz MVQGDRAPHATWSW-KNQAVFIVSA-N 1 1 448.554 5.440 50 0 IKAAMO CSc1ccc(Cl)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000035302148 526012289 /nfs/dbraw/zinc/01/22/89/526012289.db2.gz GZHCTLGKLGZPTK-UHFFFAOYSA-N 1 1 437.008 5.609 50 0 IKAAMO c1c(C[N@H+]2CCC[C@H]2c2ccccn2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000012308686 526397451 /nfs/dbraw/zinc/39/74/51/526397451.db2.gz LPOVPYCGQIMYBS-DEOSSOPVSA-N 1 1 438.531 5.059 50 0 IKAAMO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000022766043 526582230 /nfs/dbraw/zinc/58/22/30/526582230.db2.gz JUPKARFDRYOMOU-OAQYLSRUSA-N 1 1 430.495 5.296 50 0 IKAAMO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000022766043 526582237 /nfs/dbraw/zinc/58/22/37/526582237.db2.gz JUPKARFDRYOMOU-OAQYLSRUSA-N 1 1 430.495 5.296 50 0 IKAAMO Cc1nc(C)c(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)nc1C ZINC000012464852 526716458 /nfs/dbraw/zinc/71/64/58/526716458.db2.gz UHWOTMXLWTUBPO-QFIPXVFZSA-N 1 1 432.543 5.059 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CN1CCC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000020706261 526727958 /nfs/dbraw/zinc/72/79/58/526727958.db2.gz RNDDLUNROFQYFX-OYRHEFFESA-N 1 1 445.607 5.391 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000012454760 526729805 /nfs/dbraw/zinc/72/98/05/526729805.db2.gz LPHUPCZQCFWKLK-LJQANCHMSA-N 1 1 435.490 5.036 50 0 IKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020994730 526732801 /nfs/dbraw/zinc/73/28/01/526732801.db2.gz CHOCYMZHFYUCBO-QGZVFWFLSA-N 1 1 441.453 6.190 50 0 IKAAMO Cc1oc(-c2cccs2)nc1CN(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012468583 526747633 /nfs/dbraw/zinc/74/76/33/526747633.db2.gz WWTVSSQQSUGILN-JOCHJYFZSA-N 1 1 443.657 5.347 50 0 IKAAMO O=C(c1ccccc1OC1CC[NH+](Cc2ccc(F)cc2Cl)CC1)N1CCCCC1 ZINC000012303581 526809826 /nfs/dbraw/zinc/80/98/26/526809826.db2.gz ZKGGMWVWAOFNAT-UHFFFAOYSA-N 1 1 430.951 5.149 50 0 IKAAMO O=C(c1cccnc1Oc1ccccc1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020431990 526823261 /nfs/dbraw/zinc/82/32/61/526823261.db2.gz CIECNWHZOCKASK-UHFFFAOYSA-N 1 1 447.538 5.402 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)[nH+]2)c2cccnc2)c1C ZINC000035476898 526884341 /nfs/dbraw/zinc/88/43/41/526884341.db2.gz RKTFNMUIVSLUNM-QHCPKHFHSA-N 1 1 428.561 5.917 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c1C ZINC000035476887 526885103 /nfs/dbraw/zinc/88/51/03/526885103.db2.gz NQBFQKWQWZXWHB-XMMPIXPASA-N 1 1 445.563 6.661 50 0 IKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)[nH+]1 ZINC000021794216 527004322 /nfs/dbraw/zinc/00/43/22/527004322.db2.gz BPQUGRQEVLGYCA-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794216 527004325 /nfs/dbraw/zinc/00/43/25/527004325.db2.gz BPQUGRQEVLGYCA-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000020536949 527087784 /nfs/dbraw/zinc/08/77/84/527087784.db2.gz MORLFUIGVHAFLJ-JOCHJYFZSA-N 1 1 429.593 5.035 50 0 IKAAMO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[N@H+](C)C3CCCCC3)cc1CC2 ZINC000021043384 527550766 /nfs/dbraw/zinc/55/07/66/527550766.db2.gz SKKWMBJCFIODOO-UHFFFAOYSA-N 1 1 448.636 5.002 50 0 IKAAMO Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000651508 555522949 /nfs/dbraw/zinc/52/29/49/555522949.db2.gz QLHUSOZUPUCYAY-BJKOFHAPSA-N 1 1 426.907 5.453 50 0 IKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc3c(c2)OCO3)cc1 ZINC000001447521 555699204 /nfs/dbraw/zinc/69/92/04/555699204.db2.gz CQTKBKLQUYPFHP-UHFFFAOYSA-N 1 1 438.462 5.567 50 0 IKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002449672 555781078 /nfs/dbraw/zinc/78/10/78/555781078.db2.gz ZENKZVGSUOSJJW-RPWUZVMVSA-N 1 1 442.519 5.352 50 0 IKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000002541786 555786476 /nfs/dbraw/zinc/78/64/76/555786476.db2.gz LMDQPAJOZJBVBM-DNQXCXABSA-N 1 1 442.906 5.153 50 0 IKAAMO CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2 ZINC000034667466 555791437 /nfs/dbraw/zinc/79/14/37/555791437.db2.gz MYMRHCZAYUWDBB-CCLHPLFOSA-N 1 1 446.566 5.265 50 0 IKAAMO CC(C)NC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2 ZINC000034667466 555791439 /nfs/dbraw/zinc/79/14/39/555791439.db2.gz MYMRHCZAYUWDBB-CCLHPLFOSA-N 1 1 446.566 5.265 50 0 IKAAMO C[C@H](NC(=O)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1)c1ccccc1 ZINC000034668642 555792354 /nfs/dbraw/zinc/79/23/54/555792354.db2.gz XQOWZKBOBOHYPD-FQEVSTJZSA-N 1 1 433.983 5.153 50 0 IKAAMO CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034671602 555793028 /nfs/dbraw/zinc/79/30/28/555793028.db2.gz BZGNDTZUVYELPW-VSGBNLITSA-N 1 1 442.603 5.436 50 0 IKAAMO CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671686 555793201 /nfs/dbraw/zinc/79/32/01/555793201.db2.gz HMYDGHQJZPGQCZ-VSGBNLITSA-N 1 1 442.603 5.436 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698749 555812461 /nfs/dbraw/zinc/81/24/61/555812461.db2.gz RYCIYFBAXZVXOO-GJZUVCINSA-N 1 1 434.555 5.494 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2c2ccccc2)cc1 ZINC000034698956 555812493 /nfs/dbraw/zinc/81/24/93/555812493.db2.gz HRYOTVQVQADQEG-XTEPFMGCSA-N 1 1 441.619 5.404 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2F)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698784 555812554 /nfs/dbraw/zinc/81/25/54/555812554.db2.gz ZWCOCJLHTMXBGQ-XNMGPUDCSA-N 1 1 444.594 5.901 50 0 IKAAMO Cc1cc(C[N@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)oc1C ZINC000034698808 555812561 /nfs/dbraw/zinc/81/25/61/555812561.db2.gz TXZOYSCXCOPWJM-LEAFIULHSA-N 1 1 444.619 5.971 50 0 IKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699031 555812791 /nfs/dbraw/zinc/81/27/91/555812791.db2.gz UZLQUDHJFTYUQQ-ZEQKJWHPSA-N 1 1 434.555 5.433 50 0 IKAAMO O=C(c1ccccc1)N(C[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034699019 555812829 /nfs/dbraw/zinc/81/28/29/555812829.db2.gz XTXXUZNVFNJAAJ-LEAFIULHSA-N 1 1 441.619 5.705 50 0 IKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699036 555812847 /nfs/dbraw/zinc/81/28/47/555812847.db2.gz IKQVHZNUXVEFTF-RPLLCQBOSA-N 1 1 447.598 5.178 50 0 IKAAMO Cc1ccccc1C(=O)Nc1ccc(N2CCC[N@H+](Cc3ccc(C(C)C)cc3)CC2)nc1 ZINC000034681783 555815268 /nfs/dbraw/zinc/81/52/68/555815268.db2.gz XWMOTVPTKLLFJO-UHFFFAOYSA-N 1 1 442.607 5.478 50 0 IKAAMO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(F)c3)CC2)nc1)c1ccccc1 ZINC000034681891 555815740 /nfs/dbraw/zinc/81/57/40/555815740.db2.gz KEPVZRORLUARHL-VWLOTQADSA-N 1 1 446.570 5.065 50 0 IKAAMO C[C@@H](NC(=O)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1)c1ccccc1 ZINC000034684586 555820125 /nfs/dbraw/zinc/82/01/25/555820125.db2.gz UNNZNYIRVNGSFY-HXUWFJFHSA-N 1 1 433.983 5.153 50 0 IKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccccc3F)C2)c1 ZINC000034711420 555824402 /nfs/dbraw/zinc/82/44/02/555824402.db2.gz YBHSIBMBIOMRIC-DNQXCXABSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1cccc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711447 555824437 /nfs/dbraw/zinc/82/44/37/555824437.db2.gz BXNWDMJXPVSMER-ZEQRLZLVSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711446 555824540 /nfs/dbraw/zinc/82/45/40/555824540.db2.gz BXNWDMJXPVSMER-RPWUZVMVSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccc(OCc4ccccc4)cc2)[C@@H]3CCC1 ZINC000002928813 555863808 /nfs/dbraw/zinc/86/38/08/555863808.db2.gz ZKXQQIFTFHUHNW-GDLZYMKVSA-N 1 1 436.599 6.812 50 0 IKAAMO Cc1cc([C@H]2C[C@H](C(=O)NCc3ccccc3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716627 555865753 /nfs/dbraw/zinc/86/57/53/555865753.db2.gz SQCNIMUXBLGGPT-ZEQRLZLVSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3ccccc3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716628 555865953 /nfs/dbraw/zinc/86/59/53/555865953.db2.gz SQCNIMUXBLGGPT-DNQXCXABSA-N 1 1 434.530 5.195 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3sccc3C)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740311 555883283 /nfs/dbraw/zinc/88/32/83/555883283.db2.gz REBILFASLJNVIA-UPVQGACJSA-N 1 1 442.669 5.421 50 0 IKAAMO Cc1cc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@@H](CN(CC(C)C)C(=O)C(C)C)C2)oc1C ZINC000034740454 555883703 /nfs/dbraw/zinc/88/37/03/555883703.db2.gz CPBCGTTWUREHCM-RDGATRHJSA-N 1 1 428.592 5.392 50 0 IKAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740727 555884099 /nfs/dbraw/zinc/88/40/99/555884099.db2.gz ZNWDLHREOQWNNJ-ILBGXUMGSA-N 1 1 440.578 5.670 50 0 IKAAMO CCCCn1c2ccccc2n2c(C(C)=O)c(C[N@@H+](C)C34CC5CC(CC(C5)C3)C4)nc12 ZINC000003833058 555946904 /nfs/dbraw/zinc/94/69/04/555946904.db2.gz LAPYSGPTEPJOTI-UHFFFAOYSA-N 1 1 432.612 5.692 50 0 IKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000004201892 555976027 /nfs/dbraw/zinc/97/60/27/555976027.db2.gz AYPMXCIGTQUCFB-BJKOFHAPSA-N 1 1 442.906 5.153 50 0 IKAAMO O=C([C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1)N1CCc2ccccc2C1 ZINC000005650093 556061674 /nfs/dbraw/zinc/06/16/74/556061674.db2.gz BFSXUYWOVSCLNN-VWLOTQADSA-N 1 1 426.560 5.276 50 0 IKAAMO C[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 ZINC000229862376 556115427 /nfs/dbraw/zinc/11/54/27/556115427.db2.gz MZIWRSXHNVMYEY-DYJXAQSNSA-N 1 1 439.650 5.665 50 0 IKAAMO C[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 ZINC000229862376 556115430 /nfs/dbraw/zinc/11/54/30/556115430.db2.gz MZIWRSXHNVMYEY-DYJXAQSNSA-N 1 1 439.650 5.665 50 0 IKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCC2)cc1 ZINC000002714544 556129788 /nfs/dbraw/zinc/12/97/88/556129788.db2.gz UQRLDQKAEFUZFJ-UHFFFAOYSA-N 1 1 433.353 6.205 50 0 IKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000002714538 556129910 /nfs/dbraw/zinc/12/99/10/556129910.db2.gz RGVWWMALJNRWDE-UHFFFAOYSA-N 1 1 447.380 6.595 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008721726 556203023 /nfs/dbraw/zinc/20/30/23/556203023.db2.gz SKIOCWAJIPXETG-GOSISDBHSA-N 1 1 434.348 5.157 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008721726 556203025 /nfs/dbraw/zinc/20/30/25/556203025.db2.gz SKIOCWAJIPXETG-GOSISDBHSA-N 1 1 434.348 5.157 50 0 IKAAMO O=C1N[C@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008721978 556203033 /nfs/dbraw/zinc/20/30/33/556203033.db2.gz GMOYKFKZDHZAQV-FQEVSTJZSA-N 1 1 444.387 5.467 50 0 IKAAMO O=C1N[C@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008721978 556203035 /nfs/dbraw/zinc/20/30/35/556203035.db2.gz GMOYKFKZDHZAQV-FQEVSTJZSA-N 1 1 444.387 5.467 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008721725 556203068 /nfs/dbraw/zinc/20/30/68/556203068.db2.gz SKIOCWAJIPXETG-SFHVURJKSA-N 1 1 434.348 5.157 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000008721725 556203070 /nfs/dbraw/zinc/20/30/70/556203070.db2.gz SKIOCWAJIPXETG-SFHVURJKSA-N 1 1 434.348 5.157 50 0 IKAAMO Cc1cccc(C[N@@H+](CCC(C)C)Cc2cccn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000004455187 556299393 /nfs/dbraw/zinc/29/93/93/556299393.db2.gz ACKDBFKPOGFTTB-UHFFFAOYSA-N 1 1 428.542 6.912 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000009804766 556308970 /nfs/dbraw/zinc/30/89/70/556308970.db2.gz WODQXXLVCVXCEC-GOSISDBHSA-N 1 1 444.354 5.187 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 ZINC000009804766 556308971 /nfs/dbraw/zinc/30/89/71/556308971.db2.gz WODQXXLVCVXCEC-GOSISDBHSA-N 1 1 444.354 5.187 50 0 IKAAMO CCOc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccccc1 ZINC000013946002 556342997 /nfs/dbraw/zinc/34/29/97/556342997.db2.gz KGEDTMUOHJXNFL-UHFFFAOYSA-N 1 1 427.342 5.112 50 0 IKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OCc4cccnc4)C3)c(C)o2)c2ccccc12 ZINC000011667783 556346458 /nfs/dbraw/zinc/34/64/58/556346458.db2.gz KFVFMMBKSCDKAB-OAQYLSRUSA-N 1 1 443.547 5.388 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](OCc4cccnc4)C3)c(C)o2)c2ccccc12 ZINC000011667783 556346463 /nfs/dbraw/zinc/34/64/63/556346463.db2.gz KFVFMMBKSCDKAB-OAQYLSRUSA-N 1 1 443.547 5.388 50 0 IKAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc4cc(NC(C)=O)ccc4n3)C2)cc1 ZINC000011820823 556362361 /nfs/dbraw/zinc/36/23/61/556362361.db2.gz YHCQXDHKCFYIIV-HXUWFJFHSA-N 1 1 433.577 5.010 50 0 IKAAMO Cc1nc([C@H](C)[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)c(C)s1 ZINC000011842748 556366260 /nfs/dbraw/zinc/36/62/60/556366260.db2.gz TVCGGJHUWFVWQL-HNNXBMFYSA-N 1 1 438.547 6.050 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)cc1 ZINC000011873132 556369500 /nfs/dbraw/zinc/36/95/00/556369500.db2.gz MAYYLILRSYRNJK-HXUWFJFHSA-N 1 1 436.502 5.491 50 0 IKAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc2[nH]ccc2c1 ZINC000011873049 556369558 /nfs/dbraw/zinc/36/95/58/556369558.db2.gz WNVBORGVDXULFN-IBGZPJMESA-N 1 1 443.513 5.213 50 0 IKAAMO COC(=O)c1sc2nc(C[N@@H+](C)CC(C)C)ccc2c1NC(=O)c1ccc(C)cc1C ZINC000011880429 556372541 /nfs/dbraw/zinc/37/25/41/556372541.db2.gz IQFWAVRPPBBAJU-UHFFFAOYSA-N 1 1 439.581 5.040 50 0 IKAAMO O=C(N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1)C1(c2ccccc2)CC1 ZINC000011936873 556379070 /nfs/dbraw/zinc/37/90/70/556379070.db2.gz SRDTXHUMIONURP-XMMPIXPASA-N 1 1 431.624 5.187 50 0 IKAAMO CC(=O)Nc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000011937592 556379546 /nfs/dbraw/zinc/37/95/46/556379546.db2.gz CYHHJKJBSWMOQA-RUZDIDTESA-N 1 1 434.628 5.087 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000012050567 556392165 /nfs/dbraw/zinc/39/21/65/556392165.db2.gz MDFYCPBLXWPZCI-SFHVURJKSA-N 1 1 440.927 5.213 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC000012050567 556392167 /nfs/dbraw/zinc/39/21/67/556392167.db2.gz MDFYCPBLXWPZCI-SFHVURJKSA-N 1 1 440.927 5.213 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC000012075371 556397525 /nfs/dbraw/zinc/39/75/25/556397525.db2.gz XOEJHKAIEOFVRU-NRFANRHFSA-N 1 1 446.956 5.039 50 0 IKAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Oc4ncccn4)cc3)C2)c1 ZINC000012373485 556403645 /nfs/dbraw/zinc/40/36/45/556403645.db2.gz BHAXNSOHSUVDED-JOCHJYFZSA-N 1 1 431.536 5.151 50 0 IKAAMO O=C(c1cc2sccc2[nH]1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012429293 556404281 /nfs/dbraw/zinc/40/42/81/556404281.db2.gz PVQRHGCLQIEXOX-HXUWFJFHSA-N 1 1 436.625 5.312 50 0 IKAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622404 556409683 /nfs/dbraw/zinc/40/96/83/556409683.db2.gz SYPZISQAQHKJLN-HXUWFJFHSA-N 1 1 430.335 5.215 50 0 IKAAMO C[N@H+](Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000032843114 556428209 /nfs/dbraw/zinc/42/82/09/556428209.db2.gz WAKCYTPVUIOWIC-GOSISDBHSA-N 1 1 432.383 5.049 50 0 IKAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(Oc3ccc5ccc(=O)oc5c3)n2)CCC4)CC1 ZINC000013038986 556444770 /nfs/dbraw/zinc/44/47/70/556444770.db2.gz VXNCUKSCVRLPGQ-UHFFFAOYSA-N 1 1 447.560 5.311 50 0 IKAAMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@H+](C)Cc3ccc(OC)c(OC)c3)ccc21 ZINC000013058448 556449706 /nfs/dbraw/zinc/44/97/06/556449706.db2.gz ZEVUUZDAQJTGCC-SFHVURJKSA-N 1 1 445.563 5.291 50 0 IKAAMO CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N@@H+](C)Cc3ccc(OC)c(OC)c3)ccc21 ZINC000013058448 556449711 /nfs/dbraw/zinc/44/97/11/556449711.db2.gz ZEVUUZDAQJTGCC-SFHVURJKSA-N 1 1 445.563 5.291 50 0 IKAAMO C[C@@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1cccc(Cl)c1 ZINC000013069886 556452876 /nfs/dbraw/zinc/45/28/76/556452876.db2.gz QCETZYLDYSMXKD-GFCCVEGCSA-N 1 1 430.360 5.809 50 0 IKAAMO CCC1CCC([N@@H+](Cc2cc(=O)n3nc(C)sc3n2)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000072275075 556455334 /nfs/dbraw/zinc/45/53/34/556455334.db2.gz HCJUAUHSPDXKAC-NNDYNSRJSA-N 1 1 428.577 5.131 50 0 IKAAMO CCC1CCC([N@@H+](Cc2cc(=O)n3nc(C)sc3n2)[C@H](C)c2ccc(F)cc2)CC1 ZINC000072275076 556455415 /nfs/dbraw/zinc/45/54/15/556455415.db2.gz HCJUAUHSPDXKAC-FPPRHVDESA-N 1 1 428.577 5.131 50 0 IKAAMO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000014948608 556459963 /nfs/dbraw/zinc/45/99/63/556459963.db2.gz ZDSQHBUITIQGRJ-UHFFFAOYSA-N 1 1 447.497 5.296 50 0 IKAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1oc2ccccc2c1COc1ccccc1 ZINC000013112849 556465877 /nfs/dbraw/zinc/46/58/77/556465877.db2.gz SJQSLCMHPCHDPA-JOCHJYFZSA-N 1 1 430.504 5.172 50 0 IKAAMO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c(C)c1 ZINC000014969338 556466457 /nfs/dbraw/zinc/46/64/57/556466457.db2.gz JCYDMXODECTNIT-HXUWFJFHSA-N 1 1 429.992 5.075 50 0 IKAAMO Cc1nc(C(=O)NCCOc2ccc(C[N@H+](C)Cc3cccc4ccccc43)cc2)cs1 ZINC000014976351 556468858 /nfs/dbraw/zinc/46/88/58/556468858.db2.gz REJQPVQZWYQVPX-UHFFFAOYSA-N 1 1 445.588 5.046 50 0 IKAAMO C[N@@H+](Cc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1)Cc1cccc2ccccc21 ZINC000014984604 556472371 /nfs/dbraw/zinc/47/23/71/556472371.db2.gz VTKKJVXTVYOQHX-UHFFFAOYSA-N 1 1 442.534 5.420 50 0 IKAAMO Cc1ccsc1C(=O)NCCOc1ccc(C[N@H+](C)Cc2cccc3ccccc32)cc1 ZINC000014991413 556475115 /nfs/dbraw/zinc/47/51/15/556475115.db2.gz XFISZRIRGGCPEO-UHFFFAOYSA-N 1 1 444.600 5.651 50 0 IKAAMO CC[NH+](CC)[C@@H](C(=O)Nc1cccc(-c2nccn2C)c1)c1cccc(C(F)(F)F)c1 ZINC000072284643 556475506 /nfs/dbraw/zinc/47/55/06/556475506.db2.gz OHJZWSHFYHCFIX-HXUWFJFHSA-N 1 1 430.474 5.128 50 0 IKAAMO Cc1[nH]c2c(cccc2C(=O)NC[C@H](C)Oc2cccc(C[N@@H+](C)Cc3ccoc3)c2)c1C ZINC000014999846 556479446 /nfs/dbraw/zinc/47/94/46/556479446.db2.gz GPVLMJXRUOXAAN-SFHVURJKSA-N 1 1 445.563 5.207 50 0 IKAAMO C[N@@H+](Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000015004725 556481109 /nfs/dbraw/zinc/48/11/09/556481109.db2.gz FASFSPXPLBGUNO-GOSISDBHSA-N 1 1 440.016 5.396 50 0 IKAAMO C[N@H+](Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000015004725 556481112 /nfs/dbraw/zinc/48/11/12/556481112.db2.gz FASFSPXPLBGUNO-GOSISDBHSA-N 1 1 440.016 5.396 50 0 IKAAMO C[N@@H+](Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)C[C@H]1CC=CCC1 ZINC000015004724 556481232 /nfs/dbraw/zinc/48/12/32/556481232.db2.gz FASFSPXPLBGUNO-SFHVURJKSA-N 1 1 440.016 5.396 50 0 IKAAMO C[N@H+](Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1)C[C@H]1CC=CCC1 ZINC000015004724 556481236 /nfs/dbraw/zinc/48/12/36/556481236.db2.gz FASFSPXPLBGUNO-SFHVURJKSA-N 1 1 440.016 5.396 50 0 IKAAMO Fc1ccc(-n2c(SCCNc3[nH]c4ccccc4[nH+]3)nnc2-c2ccccc2)cc1 ZINC000013138054 556485026 /nfs/dbraw/zinc/48/50/26/556485026.db2.gz MXSSKKGKVCIKJC-UHFFFAOYSA-N 1 1 430.512 5.154 50 0 IKAAMO C[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@@H](c2ccccc2)C1 ZINC000030030388 556489881 /nfs/dbraw/zinc/48/98/81/556489881.db2.gz JMLHZWJXPNEONG-OAQYLSRUSA-N 1 1 441.453 5.022 50 0 IKAAMO C[N@H+]1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@@H](c2ccccc2)C1 ZINC000030030388 556489884 /nfs/dbraw/zinc/48/98/84/556489884.db2.gz JMLHZWJXPNEONG-OAQYLSRUSA-N 1 1 441.453 5.022 50 0 IKAAMO FC(F)(F)c1cccc(Cc2noc(C[N@@H+]3CCCC[C@H]3CCc3ccccn3)n2)c1 ZINC000015064454 556491688 /nfs/dbraw/zinc/49/16/88/556491688.db2.gz FYGPCVMMIZSISI-FQEVSTJZSA-N 1 1 430.474 5.062 50 0 IKAAMO FC(F)(F)c1cccc(Cc2noc(C[N@H+]3CCCC[C@H]3CCc3ccccn3)n2)c1 ZINC000015064454 556491692 /nfs/dbraw/zinc/49/16/92/556491692.db2.gz FYGPCVMMIZSISI-FQEVSTJZSA-N 1 1 430.474 5.062 50 0 IKAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+][C@@H](C)c2nc(C)sc2C)cc1 ZINC000015064525 556492112 /nfs/dbraw/zinc/49/21/12/556492112.db2.gz XJOMGUYKZYSCRX-HNNXBMFYSA-N 1 1 436.556 5.611 50 0 IKAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000015067036 556493378 /nfs/dbraw/zinc/49/33/78/556493378.db2.gz XTDADCYKYIVXOD-FQEVSTJZSA-N 1 1 434.634 5.702 50 0 IKAAMO OC[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000015067415 556493386 /nfs/dbraw/zinc/49/33/86/556493386.db2.gz AKPSFAAZCMCHFJ-GDLZYMKVSA-N 1 1 437.587 5.504 50 0 IKAAMO Cc1ccccc1C[NH+]1CCC(CN(Cc2cc(CC(C)C)[nH]n2)Cc2cccnc2)CC1 ZINC000015067549 556493875 /nfs/dbraw/zinc/49/38/75/556493875.db2.gz XBNPTIWLWGJTGZ-UHFFFAOYSA-N 1 1 445.655 5.226 50 0 IKAAMO O=C(CSc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015074091 556498020 /nfs/dbraw/zinc/49/80/20/556498020.db2.gz YBWNESZQYBYAGV-HSZRJFAPSA-N 1 1 437.653 5.247 50 0 IKAAMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000072294362 556507087 /nfs/dbraw/zinc/50/70/87/556507087.db2.gz IFBQMJSQUSSQMN-DKDGFOABSA-N 1 1 439.644 5.097 50 0 IKAAMO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccco2)CC1 ZINC000015860073 556558572 /nfs/dbraw/zinc/55/85/72/556558572.db2.gz WAUVMBRNMIEXTM-QHCPKHFHSA-N 1 1 433.552 5.016 50 0 IKAAMO Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+]2CCC(C)CC2)o1 ZINC000015860487 556558659 /nfs/dbraw/zinc/55/86/59/556558659.db2.gz SSQZXGSQWYYSME-SFHVURJKSA-N 1 1 431.001 5.968 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C)cc4)cc2)N3)C1 ZINC000015947412 556568314 /nfs/dbraw/zinc/56/83/14/556568314.db2.gz NCRSCDSWXAYGHR-JOCHJYFZSA-N 1 1 447.560 5.083 50 0 IKAAMO COc1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)cc1OCc1ccccc1 ZINC000022860305 556578255 /nfs/dbraw/zinc/57/82/55/556578255.db2.gz MLYBYDDAGOKMAX-LBNVMWSVSA-N 1 1 434.624 5.503 50 0 IKAAMO CC[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016043567 556578278 /nfs/dbraw/zinc/57/82/78/556578278.db2.gz BYDLRSWUPWDWLT-KNSFSRGUSA-N 1 1 447.663 6.043 50 0 IKAAMO C[NH+]1CCN([C@@H](c2oc3ccccc3c2NC(=O)c2cccs2)c2ccccc2)CC1 ZINC000022938221 556578431 /nfs/dbraw/zinc/57/84/31/556578431.db2.gz SUDIGEWKAXAVIZ-HSZRJFAPSA-N 1 1 431.561 5.083 50 0 IKAAMO O[C@@H](COCc1ccccc1Cl)C[N@@H+](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000016050334 556580805 /nfs/dbraw/zinc/58/08/05/556580805.db2.gz YTCCARMXMPGYCF-HUUFRCNWSA-N 1 1 446.056 5.750 50 0 IKAAMO O[C@H](COCc1ccccc1Cl)C[N@@H+](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000016050335 556581037 /nfs/dbraw/zinc/58/10/37/556581037.db2.gz YTCCARMXMPGYCF-LFCNWEHWSA-N 1 1 446.056 5.750 50 0 IKAAMO O=C(c1c(Cl)cccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016247008 556594056 /nfs/dbraw/zinc/59/40/56/556594056.db2.gz MYGNHDVOHLCIRN-UHFFFAOYSA-N 1 1 425.359 5.541 50 0 IKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)C1CC1 ZINC000036301777 556596297 /nfs/dbraw/zinc/59/62/97/556596297.db2.gz ASPJGJRMHVKFJA-QFIPXVFZSA-N 1 1 439.987 5.752 50 0 IKAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000032974949 556596747 /nfs/dbraw/zinc/59/67/47/556596747.db2.gz DWELTCRUIUJKCA-UHFFFAOYSA-N 1 1 444.623 5.161 50 0 IKAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000022969891 556610748 /nfs/dbraw/zinc/61/07/48/556610748.db2.gz ICMLZKZVPZZXCA-RTWAWAEBSA-N 1 1 429.564 5.151 50 0 IKAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000022969891 556610752 /nfs/dbraw/zinc/61/07/52/556610752.db2.gz ICMLZKZVPZZXCA-RTWAWAEBSA-N 1 1 429.564 5.151 50 0 IKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551023 556614682 /nfs/dbraw/zinc/61/46/82/556614682.db2.gz MYBBHAMWIJSPSR-DEOSSOPVSA-N 1 1 427.573 6.522 50 0 IKAAMO CC(C)Oc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000016575630 556615788 /nfs/dbraw/zinc/61/57/88/556615788.db2.gz DUQSHVOMIAXOGN-UHFFFAOYSA-N 1 1 447.554 5.187 50 0 IKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000005055957 556627625 /nfs/dbraw/zinc/62/76/25/556627625.db2.gz MMSRMUUDBVMILG-XMMPIXPASA-N 1 1 431.580 5.049 50 0 IKAAMO CCc1ccc2occ(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000016753197 556638089 /nfs/dbraw/zinc/63/80/89/556638089.db2.gz RWIPAMJAUPAJQY-UHFFFAOYSA-N 1 1 438.571 5.472 50 0 IKAAMO CC1=C(c2ccccc2)[N@@H+](Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000247942319 556649044 /nfs/dbraw/zinc/64/90/44/556649044.db2.gz VDDUSYQXSVDMQA-XZWHSSHBSA-N 1 1 443.590 7.216 50 0 IKAAMO CCOc1cc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)ccc1OC ZINC000042925966 556660118 /nfs/dbraw/zinc/66/01/18/556660118.db2.gz PQDMCVRJXOYHHA-KRWDZBQOSA-N 1 1 427.495 5.142 50 0 IKAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)[C@@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000042942773 556660166 /nfs/dbraw/zinc/66/01/66/556660166.db2.gz QZPVXHSWRFPXNM-WIYYLYMNSA-N 1 1 436.987 5.304 50 0 IKAAMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000248063137 556660218 /nfs/dbraw/zinc/66/02/18/556660218.db2.gz DIMMTJPZPIAQTM-SCTDSRPQSA-N 1 1 433.625 5.084 50 0 IKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@H](C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000248108145 556662977 /nfs/dbraw/zinc/66/29/77/556662977.db2.gz RKGGBSVKGXHFPX-ZCYQVOJMSA-N 1 1 443.591 5.364 50 0 IKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248115425 556665935 /nfs/dbraw/zinc/66/59/35/556665935.db2.gz IKQVHZNUXVEFTF-SQHAQQRYSA-N 1 1 447.598 5.178 50 0 IKAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000248124806 556667890 /nfs/dbraw/zinc/66/78/90/556667890.db2.gz ZNWDLHREOQWNNJ-ZCYQVOJMSA-N 1 1 440.578 5.670 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248187073 556675666 /nfs/dbraw/zinc/67/56/66/556675666.db2.gz ILZJSOAWGWCXME-OZXSUGGESA-N 1 1 440.603 5.191 50 0 IKAAMO CSc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)c1 ZINC000013573473 556698972 /nfs/dbraw/zinc/69/89/72/556698972.db2.gz CRVUUBTYQNLMAN-GOSISDBHSA-N 1 1 433.712 5.791 50 0 IKAAMO Cc1ccc(-c2nccc(Nc3cccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3)n2)cc1 ZINC000033025305 556699878 /nfs/dbraw/zinc/69/98/78/556699878.db2.gz IKDBZTJJIXFIGI-OAQYLSRUSA-N 1 1 443.595 5.190 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1O ZINC000019228610 556717832 /nfs/dbraw/zinc/71/78/32/556717832.db2.gz GOSLXGGIPJMYSR-KRWDZBQOSA-N 1 1 431.458 5.189 50 0 IKAAMO C[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@@H+](Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000013763898 556728905 /nfs/dbraw/zinc/72/89/05/556728905.db2.gz LBMQWGLSKLHDSA-ZGYHLWMKSA-N 1 1 445.606 7.163 50 0 IKAAMO COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1OC ZINC000055254222 556738897 /nfs/dbraw/zinc/73/88/97/556738897.db2.gz XWQOTDKUAALVKE-DEOSSOPVSA-N 1 1 437.628 5.146 50 0 IKAAMO COc1cc2c(cc1C[NH+]1CCN(c3cccc(C)c3C)CC1)oc(C)c2-c1ccccc1 ZINC000055447582 556741155 /nfs/dbraw/zinc/74/11/55/556741155.db2.gz VRSHSQVCWBECAR-UHFFFAOYSA-N 1 1 440.587 6.356 50 0 IKAAMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1C ZINC000055526923 556741549 /nfs/dbraw/zinc/74/15/49/556741549.db2.gz DEJIPTKVNIGNBG-UHFFFAOYSA-N 1 1 433.983 5.531 50 0 IKAAMO CC(C)Oc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)c1 ZINC000055545159 556741934 /nfs/dbraw/zinc/74/19/34/556741934.db2.gz OICCHIPCMPXXNU-UHFFFAOYSA-N 1 1 447.554 5.187 50 0 IKAAMO COc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OCc1ccccc1 ZINC000019359239 556745577 /nfs/dbraw/zinc/74/55/77/556745577.db2.gz YMCFCVMIJLQECB-MDWZMJQESA-N 1 1 428.576 5.105 50 0 IKAAMO CCC(CC)([NH2+]Cn1nc(N(C(C)=O)C2CC2)sc1=S)c1ccc(Cl)cc1 ZINC000058305350 556779117 /nfs/dbraw/zinc/77/91/17/556779117.db2.gz BCERHYIFPDQIOB-UHFFFAOYSA-N 1 1 425.023 5.105 50 0 IKAAMO CC(C)(C)c1cc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C(C)(C)C)c1O ZINC000019536292 556794079 /nfs/dbraw/zinc/79/40/79/556794079.db2.gz KDMZCSDPGKOIGA-UHFFFAOYSA-N 1 1 438.612 5.034 50 0 IKAAMO Cc1c(Cl)cccc1-n1c(=S)n(C[NH+](CC(C)C)CC(C)C)nc1-c1ccncc1 ZINC000003223083 556805712 /nfs/dbraw/zinc/80/57/12/556805712.db2.gz TXDCSANEHWJTGD-UHFFFAOYSA-N 1 1 444.048 5.999 50 0 IKAAMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000003289423 556808909 /nfs/dbraw/zinc/80/89/09/556808909.db2.gz UMERIUMPKVQDDU-UHFFFAOYSA-N 1 1 442.968 5.316 50 0 IKAAMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000003289423 556808911 /nfs/dbraw/zinc/80/89/11/556808911.db2.gz UMERIUMPKVQDDU-UHFFFAOYSA-N 1 1 442.968 5.316 50 0 IKAAMO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019634651 556834420 /nfs/dbraw/zinc/83/44/20/556834420.db2.gz IMSXVDTWRPPSIK-UHFFFAOYSA-N 1 1 441.575 5.027 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)c2cccnc2)C1 ZINC000067692130 556845933 /nfs/dbraw/zinc/84/59/33/556845933.db2.gz VOWWRIXMJYJISM-VWLOTQADSA-N 1 1 437.543 5.807 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@H](C(=O)c2cccnc2)C1 ZINC000067692130 556845937 /nfs/dbraw/zinc/84/59/37/556845937.db2.gz VOWWRIXMJYJISM-VWLOTQADSA-N 1 1 437.543 5.807 50 0 IKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccc3ccccc3c1)CC2 ZINC000019732655 556876691 /nfs/dbraw/zinc/87/66/91/556876691.db2.gz AZBZPIPASSJNGS-NDEPHWFRSA-N 1 1 443.974 6.658 50 0 IKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000019732655 556876692 /nfs/dbraw/zinc/87/66/92/556876692.db2.gz AZBZPIPASSJNGS-NDEPHWFRSA-N 1 1 443.974 6.658 50 0 IKAAMO CC[N@@H+](CCCC[C@]1(c2ccccc2)c2ccccc2N(N(C)C)C1=O)Cc1ccccc1 ZINC000071767308 556887453 /nfs/dbraw/zinc/88/74/53/556887453.db2.gz YFZFZPFFJRSSNM-LJAQVGFWSA-N 1 1 441.619 5.488 50 0 IKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cc(OC)ccc2OC)cc1 ZINC000019782348 556913827 /nfs/dbraw/zinc/91/38/27/556913827.db2.gz QJSBFADNJBPBQO-UHFFFAOYSA-N 1 1 449.547 5.076 50 0 biogenic IKAAMO Brc1ccccc1CN1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000019789538 556914596 /nfs/dbraw/zinc/91/45/96/556914596.db2.gz WBPGVECLLIMNMW-UHFFFAOYSA-N 1 1 437.381 5.559 50 0 IKAAMO Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1Cl)N1NC=NC1=[NH+]2 ZINC000019799279 556917071 /nfs/dbraw/zinc/91/70/71/556917071.db2.gz ZQUHRYQPJMGUNJ-GOTSBHOMSA-N 1 1 447.325 5.798 50 0 IKAAMO CCOc1ccccc1O[C@@H](CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019802163 556917785 /nfs/dbraw/zinc/91/77/85/556917785.db2.gz SJZMMVNKRFNDPW-SANMLTNESA-N 1 1 430.592 5.413 50 0 IKAAMO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019808869 556918280 /nfs/dbraw/zinc/91/82/80/556918280.db2.gz WJZJPXVHFDBUDQ-HXUWFJFHSA-N 1 1 441.575 5.026 50 0 IKAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019810072 556918932 /nfs/dbraw/zinc/91/89/32/556918932.db2.gz PKQVVKDTQRNDHG-UHFFFAOYSA-N 1 1 444.884 6.169 50 0 IKAAMO O=C(Nc1ccc(Br)cc1F)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020026856 556967259 /nfs/dbraw/zinc/96/72/59/556967259.db2.gz ZWZYJYVTCBVAFV-UHFFFAOYSA-N 1 1 439.328 5.399 50 0 IKAAMO C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CC[N@H+](C)C3 ZINC000033265600 556976403 /nfs/dbraw/zinc/97/64/03/556976403.db2.gz HZGQATGEJOWOHY-CQSZACIVSA-N 1 1 426.973 5.289 50 0 IKAAMO C[C@@H]1c2cccn2-c2sc3c(c2CN1C(=O)Nc1ccccc1Cl)CC[N@@H+](C)C3 ZINC000033265600 556976404 /nfs/dbraw/zinc/97/64/04/556976404.db2.gz HZGQATGEJOWOHY-CQSZACIVSA-N 1 1 426.973 5.289 50 0 IKAAMO CC(C)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268799 556985835 /nfs/dbraw/zinc/98/58/35/556985835.db2.gz BKJMDYFQAPOHCR-UHFFFAOYSA-N 1 1 439.531 5.359 50 0 IKAAMO CCn1c(=O)c2c3c(sc2nc1SCc1c(Cl)cccc1Cl)C[N@@H+](C)CC3 ZINC000020330252 557008498 /nfs/dbraw/zinc/00/84/98/557008498.db2.gz KLLHWSCRNDWOBA-UHFFFAOYSA-N 1 1 440.421 5.065 50 0 IKAAMO CCn1c(=O)c2c3c(sc2nc1SCc1c(Cl)cccc1Cl)C[N@H+](C)CC3 ZINC000020330252 557008501 /nfs/dbraw/zinc/00/85/01/557008501.db2.gz KLLHWSCRNDWOBA-UHFFFAOYSA-N 1 1 440.421 5.065 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)c(OC)c1C ZINC000020351467 557009118 /nfs/dbraw/zinc/00/91/18/557009118.db2.gz CUUYCJIZUVBXMH-GOSISDBHSA-N 1 1 447.535 5.496 50 0 IKAAMO CC(C)(C)c1ccc(NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000020432059 557016567 /nfs/dbraw/zinc/01/65/67/557016567.db2.gz CHIRVLOJDTYPDX-UHFFFAOYSA-N 1 1 425.576 5.904 50 0 IKAAMO Cc1cc[nH+]c(N[C@@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000043220771 557022826 /nfs/dbraw/zinc/02/28/26/557022826.db2.gz MMWUPEHSAJYZSN-QFIPXVFZSA-N 1 1 449.601 6.439 50 0 IKAAMO O=c1oc2ccccc2n1C[NH+]1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000048279440 557057467 /nfs/dbraw/zinc/05/74/67/557057467.db2.gz BTVNBFUVQLWRPX-UHFFFAOYSA-N 1 1 433.455 5.060 50 0 IKAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000033318341 557099892 /nfs/dbraw/zinc/09/98/92/557099892.db2.gz BFTRAUKUCGACKM-UHFFFAOYSA-N 1 1 437.931 5.043 50 0 IKAAMO COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)[nH+]c(C)n2)cc1 ZINC000033318341 557099895 /nfs/dbraw/zinc/09/98/95/557099895.db2.gz BFTRAUKUCGACKM-UHFFFAOYSA-N 1 1 437.931 5.043 50 0 IKAAMO Cc1ccc([C@H](C(=O)NC2CCCCC2)[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629720 557115948 /nfs/dbraw/zinc/11/59/48/557115948.db2.gz VNCMFBNLMGJGRH-MUUNZHRXSA-N 1 1 426.604 6.187 50 0 IKAAMO Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCC(c4nc5ccccc5s4)CC3)c2C)no1 ZINC000024813268 557168738 /nfs/dbraw/zinc/16/87/38/557168738.db2.gz RUSHWHAVWICKOL-UHFFFAOYSA-N 1 1 434.565 5.063 50 0 IKAAMO Cc1ccc(CNC(=O)N2CCC[C@]3(CC[N@@H+](Cc4ccc(Cl)c(Cl)c4)C3)C2)cc1 ZINC000210920309 557174028 /nfs/dbraw/zinc/17/40/28/557174028.db2.gz YFDASBFQKMHSSJ-XMMPIXPASA-N 1 1 446.422 5.500 50 0 in-vitro IKAAMO Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)N1NC=NC1=[NH+]2 ZINC000025783755 557226058 /nfs/dbraw/zinc/22/60/58/557226058.db2.gz FQYHPBCXTOWINF-GOTSBHOMSA-N 1 1 430.870 5.283 50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783742 557226182 /nfs/dbraw/zinc/22/61/82/557226182.db2.gz YKVKICAZLCIFEB-GOTSBHOMSA-N 1 1 430.870 5.283 50 0 IKAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344110 557228434 /nfs/dbraw/zinc/22/84/34/557228434.db2.gz ICMLZKZVPZZXCA-LEWJYISDSA-N 1 1 429.564 5.151 50 0 IKAAMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344110 557228436 /nfs/dbraw/zinc/22/84/36/557228436.db2.gz ICMLZKZVPZZXCA-LEWJYISDSA-N 1 1 429.564 5.151 50 0 IKAAMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344107 557228469 /nfs/dbraw/zinc/22/84/69/557228469.db2.gz ICMLZKZVPZZXCA-SFTDATJTSA-N 1 1 429.564 5.151 50 0 IKAAMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000011344107 557228471 /nfs/dbraw/zinc/22/84/71/557228471.db2.gz ICMLZKZVPZZXCA-SFTDATJTSA-N 1 1 429.564 5.151 50 0 IKAAMO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(F)c(F)c1 ZINC000033040117 557322873 /nfs/dbraw/zinc/32/28/73/557322873.db2.gz UHOOHSNFBDDDEP-NSHDSACASA-N 1 1 431.895 5.434 50 0 IKAAMO CC(C)C[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033069035 557323733 /nfs/dbraw/zinc/32/37/33/557323733.db2.gz RMLGJBPLVNFNBP-UHFFFAOYSA-N 1 1 445.632 6.205 50 0 IKAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023329329 557339037 /nfs/dbraw/zinc/33/90/37/557339037.db2.gz JPOIPNLXNVALCT-SFHVURJKSA-N 1 1 443.378 5.265 50 0 IKAAMO C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023329329 557339041 /nfs/dbraw/zinc/33/90/41/557339041.db2.gz JPOIPNLXNVALCT-SFHVURJKSA-N 1 1 443.378 5.265 50 0 IKAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023329329 557339045 /nfs/dbraw/zinc/33/90/45/557339045.db2.gz JPOIPNLXNVALCT-SFHVURJKSA-N 1 1 443.378 5.265 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000023333028 557346672 /nfs/dbraw/zinc/34/66/72/557346672.db2.gz AKSVVYYSNWJEKC-DEOSSOPVSA-N 1 1 439.386 5.849 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000023334581 557349469 /nfs/dbraw/zinc/34/94/69/557349469.db2.gz LKZZTISAMYFGRG-DEOSSOPVSA-N 1 1 439.386 5.849 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000023334582 557349479 /nfs/dbraw/zinc/34/94/79/557349479.db2.gz LKZZTISAMYFGRG-XMMPIXPASA-N 1 1 439.386 5.849 50 0 IKAAMO O=C(c1c(F)cccc1Cl)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023428762 557354869 /nfs/dbraw/zinc/35/48/69/557354869.db2.gz PXTIKBZUARBUGC-UHFFFAOYSA-N 1 1 434.942 5.125 50 0 IKAAMO Cc1c2ccccc2oc1C(=O)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023459076 557360110 /nfs/dbraw/zinc/36/01/10/557360110.db2.gz BNCWJFAVHMFCBU-UHFFFAOYSA-N 1 1 436.555 5.387 50 0 IKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1 ZINC000103035116 557416387 /nfs/dbraw/zinc/41/63/87/557416387.db2.gz CPVHOEXRGVOAQJ-LADGPHEKSA-N 1 1 432.391 5.719 50 0 IKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000104052477 557449489 /nfs/dbraw/zinc/44/94/89/557449489.db2.gz ZLWQGNABQLEYHG-SHQCIBLASA-N 1 1 448.570 5.296 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000105042173 557473489 /nfs/dbraw/zinc/47/34/89/557473489.db2.gz SFWPBGNZGFMNNH-SHQCIBLASA-N 1 1 448.582 5.741 50 0 IKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)C[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000105044940 557474307 /nfs/dbraw/zinc/47/43/07/557474307.db2.gz ZJSKDGOQOFWAHE-LPPUWEFUSA-N 1 1 430.567 5.617 50 0 IKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccccc1 ZINC000045944027 557552855 /nfs/dbraw/zinc/55/28/55/557552855.db2.gz HNPZYMYGHMVEIX-SFHVURJKSA-N 1 1 445.588 5.339 50 0 IKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccccc1 ZINC000045944025 557552897 /nfs/dbraw/zinc/55/28/97/557552897.db2.gz HNPZYMYGHMVEIX-GOSISDBHSA-N 1 1 445.588 5.339 50 0 IKAAMO COc1ccc(/C=C/C[N@@H+]2CCOc3c(cc(-c4ccc(OC)cc4)cc3OC)C2)cc1 ZINC000015007674 557850015 /nfs/dbraw/zinc/85/00/15/557850015.db2.gz QMDYQBLRDXNNHZ-SNAWJCMRSA-N 1 1 431.532 5.287 50 0 IKAAMO COc1ccc(/C=C/C[N@H+]2CCOc3c(cc(-c4ccc(OC)cc4)cc3OC)C2)cc1 ZINC000015007674 557850017 /nfs/dbraw/zinc/85/00/17/557850017.db2.gz QMDYQBLRDXNNHZ-SNAWJCMRSA-N 1 1 431.532 5.287 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1 ZINC000008587629 562950417 /nfs/dbraw/zinc/95/04/17/562950417.db2.gz UTGAZEBKEMOYDD-QGZVFWFLSA-N 1 1 442.028 5.967 50 0 aggregator IKAAMO Cc1ccc(C)c(Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)c3ccccc3n2)c1 ZINC000008595388 562953475 /nfs/dbraw/zinc/95/34/75/562953475.db2.gz CNLAUYLJPDMWGZ-UHFFFAOYSA-N 1 1 444.623 5.980 50 0 IKAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000008680385 562961507 /nfs/dbraw/zinc/96/15/07/562961507.db2.gz JNHUBBLEJHRNQW-DEOSSOPVSA-N 1 1 447.554 5.195 50 0 IKAAMO O[C@@H](C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000104982979 568623963 /nfs/dbraw/zinc/62/39/63/568623963.db2.gz IFAYMVSPTMFJPH-BWKNWUBXSA-N 1 1 438.930 5.208 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000004124950 568780826 /nfs/dbraw/zinc/78/08/26/568780826.db2.gz YEDHIURUHGJSEK-DEOSSOPVSA-N 1 1 442.588 5.558 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678366 568804827 /nfs/dbraw/zinc/80/48/27/568804827.db2.gz YNWKXNCFPZKBBO-XMMPIXPASA-N 1 1 449.614 5.532 50 0 IKAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2Cl)CC1 ZINC000012244915 568819848 /nfs/dbraw/zinc/81/98/48/568819848.db2.gz QZPVXHSWRFPXNM-RXVVDRJESA-N 1 1 436.987 5.304 50 0 IKAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000106679552 568839197 /nfs/dbraw/zinc/83/91/97/568839197.db2.gz PVSXJQQYPSBHFU-MOPGFXCFSA-N 1 1 439.987 5.866 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)N[C@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000106679552 568839198 /nfs/dbraw/zinc/83/91/98/568839198.db2.gz PVSXJQQYPSBHFU-MOPGFXCFSA-N 1 1 439.987 5.866 50 0 IKAAMO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000015859760 568847775 /nfs/dbraw/zinc/84/77/75/568847775.db2.gz PLDTXWLOGRIVKL-RUZDIDTESA-N 1 1 437.503 5.622 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1cccc(Br)c1)[C@@H]2c1ccccc1 ZINC000015864905 568850315 /nfs/dbraw/zinc/85/03/15/568850315.db2.gz HSHRTZSJGUFDJW-JOCHJYFZSA-N 1 1 426.423 6.529 50 0 IKAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000015864826 568850351 /nfs/dbraw/zinc/85/03/51/568850351.db2.gz BVXUHMRTSUPLRM-XMMPIXPASA-N 1 1 446.641 6.800 50 0 IKAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCc2c3c(sc2[C@H]1c1ccccc1)CCCC3 ZINC000015864826 568850353 /nfs/dbraw/zinc/85/03/53/568850353.db2.gz BVXUHMRTSUPLRM-XMMPIXPASA-N 1 1 446.641 6.800 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3cccc(C)c3)oc1C)[C@H]2c1ccccc1 ZINC000015864864 568850365 /nfs/dbraw/zinc/85/03/65/568850365.db2.gz NSRSCNOXAQWSQX-SANMLTNESA-N 1 1 442.628 7.038 50 0 IKAAMO CCC[C@H]([NH2+]Cc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)c1ccccc1 ZINC000016046676 568868866 /nfs/dbraw/zinc/86/88/66/568868866.db2.gz NTIMZCLFZCADID-DEOSSOPVSA-N 1 1 427.548 5.415 50 0 IKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1)C1CCCCC1 ZINC000012984991 568895441 /nfs/dbraw/zinc/89/54/41/568895441.db2.gz BTVGXADLDLPVHW-UHFFFAOYSA-N 1 1 431.536 5.549 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c1C ZINC000001890799 568917604 /nfs/dbraw/zinc/91/76/04/568917604.db2.gz PRYZQWNJXGNBNK-XMMPIXPASA-N 1 1 427.573 6.522 50 0 IKAAMO O=C(NC1CC1)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000026926507 568926618 /nfs/dbraw/zinc/92/66/18/568926618.db2.gz BRJUDXCTYKQJLJ-UHFFFAOYSA-N 1 1 429.347 5.681 50 0 IKAAMO O=C(NC1CC1)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000026926507 568926619 /nfs/dbraw/zinc/92/66/19/568926619.db2.gz BRJUDXCTYKQJLJ-UHFFFAOYSA-N 1 1 429.347 5.681 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1c(-c2cccs2)cc2cc(Cl)ccc21 ZINC000064657757 568942396 /nfs/dbraw/zinc/94/23/96/568942396.db2.gz JQQZIMMGJFFVMD-KRWDZBQOSA-N 1 1 430.017 5.404 50 0 IKAAMO Cc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC(C)C)co2)c(C)c1 ZINC000036064036 568944815 /nfs/dbraw/zinc/94/48/15/568944815.db2.gz BICIWOUCZALECW-UHFFFAOYSA-N 1 1 444.579 5.156 50 0 IKAAMO Cc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NC(C)C)co2)c(C)c1 ZINC000036064036 568944818 /nfs/dbraw/zinc/94/48/18/568944818.db2.gz BICIWOUCZALECW-UHFFFAOYSA-N 1 1 444.579 5.156 50 0 IKAAMO COc1ccc(C)cc1NC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCC3)n2)cc1 ZINC000064801472 568960999 /nfs/dbraw/zinc/96/09/99/568960999.db2.gz XFHPRNNXMBNWQO-UHFFFAOYSA-N 1 1 432.528 5.090 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800874 568961187 /nfs/dbraw/zinc/96/11/87/568961187.db2.gz GHUKSWGCLDXZPG-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800822 568961209 /nfs/dbraw/zinc/96/12/09/568961209.db2.gz WAMBJDOYPDUFFY-UHFFFAOYSA-N 1 1 429.568 5.679 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800960 568961457 /nfs/dbraw/zinc/96/14/57/568961457.db2.gz RRAMDRLUEMMBIG-UHFFFAOYSA-N 1 1 439.922 5.564 50 0 IKAAMO Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)c1 ZINC000064801670 568961468 /nfs/dbraw/zinc/96/14/68/568961468.db2.gz IHLVSMPBFIQFJH-UHFFFAOYSA-N 1 1 444.583 6.534 50 0 IKAAMO Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064801504 568961567 /nfs/dbraw/zinc/96/15/67/568961567.db2.gz SRDJICUPWBNQBW-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3C)cc2)cc(C)[nH+]1 ZINC000064802066 568961832 /nfs/dbraw/zinc/96/18/32/568961832.db2.gz SYKCLBZWDGMPTL-UHFFFAOYSA-N 1 1 439.585 5.193 50 0 IKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1cccs1 ZINC000036154650 568964681 /nfs/dbraw/zinc/96/46/81/568964681.db2.gz AQCLCXDBVQZBJE-UHFFFAOYSA-N 1 1 447.600 5.664 50 0 IKAAMO CC(C)[N@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1F ZINC000036202188 568972460 /nfs/dbraw/zinc/97/24/60/568972460.db2.gz ADPZGKUJXPWBPB-UHFFFAOYSA-N 1 1 441.593 6.237 50 0 IKAAMO CC(C)[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1ccccc1F ZINC000036202188 568972461 /nfs/dbraw/zinc/97/24/61/568972461.db2.gz ADPZGKUJXPWBPB-UHFFFAOYSA-N 1 1 441.593 6.237 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000169679931 568990415 /nfs/dbraw/zinc/99/04/15/568990415.db2.gz GIXYHFPBYHIBKI-RDGATRHJSA-N 1 1 429.004 5.069 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)o1 ZINC000169679887 568991287 /nfs/dbraw/zinc/99/12/87/568991287.db2.gz IPEOCWLBZFFVSE-AHKZPQOWSA-N 1 1 430.592 5.663 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](C)O ZINC000036301673 568993432 /nfs/dbraw/zinc/99/34/32/568993432.db2.gz LAYLNUJEASYTKY-KRWDZBQOSA-N 1 1 443.975 5.228 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036302001 568993957 /nfs/dbraw/zinc/99/39/57/568993957.db2.gz PNPMLHAYTMXKOW-JOCHJYFZSA-N 1 1 437.584 5.353 50 0 IKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@@H](C)O ZINC000036301738 568994066 /nfs/dbraw/zinc/99/40/66/568994066.db2.gz AYOKWNUILLCMKY-GOSISDBHSA-N 1 1 427.976 5.465 50 0 IKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(C)C ZINC000036301998 568994125 /nfs/dbraw/zinc/99/41/25/568994125.db2.gz PNPMLHAYTMXKOW-QFIPXVFZSA-N 1 1 437.584 5.353 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)CC ZINC000036304182 568994557 /nfs/dbraw/zinc/99/45/57/568994557.db2.gz JPOVKFKKZLXQQJ-FQEVSTJZSA-N 1 1 429.511 5.234 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)CC ZINC000036304179 568994574 /nfs/dbraw/zinc/99/45/74/568994574.db2.gz JPOVKFKKZLXQQJ-HXUWFJFHSA-N 1 1 429.511 5.234 50 0 IKAAMO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304616 568994814 /nfs/dbraw/zinc/99/48/14/568994814.db2.gz CFMWBCFZEFKIPH-QHCPKHFHSA-N 1 1 449.595 5.355 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305122 568994917 /nfs/dbraw/zinc/99/49/17/568994917.db2.gz MKIMOVFFRNCJCS-OAQYLSRUSA-N 1 1 439.987 5.658 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305042 568994993 /nfs/dbraw/zinc/99/49/93/568994993.db2.gz DWQWFVGXAHDWLE-HXUWFJFHSA-N 1 1 439.987 5.516 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1 ZINC000036306246 568995375 /nfs/dbraw/zinc/99/53/75/568995375.db2.gz QKSFCSIAEGGXNL-OAQYLSRUSA-N 1 1 437.584 5.261 50 0 IKAAMO Cc1cccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@@H](C)O)c(-c3ccccc3)nn2C)c1 ZINC000036306369 568995631 /nfs/dbraw/zinc/99/56/31/568995631.db2.gz VVTOAHNKZFEEHH-HXUWFJFHSA-N 1 1 431.536 5.164 50 0 IKAAMO Cc1cccc(Oc2c(C[N@H+](Cc3ccco3)C[C@@H](C)O)c(-c3ccccc3)nn2C)c1 ZINC000036306369 568995632 /nfs/dbraw/zinc/99/56/32/568995632.db2.gz VVTOAHNKZFEEHH-HXUWFJFHSA-N 1 1 431.536 5.164 50 0 IKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C[C@H](O)CC ZINC000036316426 568999783 /nfs/dbraw/zinc/99/97/83/568999783.db2.gz NTJMFUNPHZGUON-OAQYLSRUSA-N 1 1 437.584 5.219 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@H](C)O ZINC000036316457 568999898 /nfs/dbraw/zinc/99/98/98/568999898.db2.gz IFWLKBGIXGIKNV-IBGZPJMESA-N 1 1 425.548 5.205 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000036342146 569079604 /nfs/dbraw/zinc/07/96/04/569079604.db2.gz BUWXARCNYRRJMM-OAQYLSRUSA-N 1 1 427.548 5.356 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000036342146 569079605 /nfs/dbraw/zinc/07/96/05/569079605.db2.gz BUWXARCNYRRJMM-OAQYLSRUSA-N 1 1 427.548 5.356 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)CC(C)C ZINC000036341945 569079666 /nfs/dbraw/zinc/07/96/66/569079666.db2.gz YYOQSUYPECHQKI-JOCHJYFZSA-N 1 1 442.003 5.855 50 0 IKAAMO COc1ccccc1C1=NN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H](c2ccccc2Cl)C1 ZINC000036343940 569079832 /nfs/dbraw/zinc/07/98/32/569079832.db2.gz OVGAFIXEHSNZBW-DEOSSOPVSA-N 1 1 447.966 5.158 50 0 IKAAMO COc1ccccc1C1=NN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H](c2ccccc2Cl)C1 ZINC000036343940 569079834 /nfs/dbraw/zinc/07/98/34/569079834.db2.gz OVGAFIXEHSNZBW-DEOSSOPVSA-N 1 1 447.966 5.158 50 0 IKAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343813 569079876 /nfs/dbraw/zinc/07/98/76/569079876.db2.gz MOBPMCMDZLCTPU-VWLOTQADSA-N 1 1 431.967 5.458 50 0 IKAAMO Cc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343813 569079878 /nfs/dbraw/zinc/07/98/78/569079878.db2.gz MOBPMCMDZLCTPU-VWLOTQADSA-N 1 1 431.967 5.458 50 0 IKAAMO CCOc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036344168 569080017 /nfs/dbraw/zinc/08/00/17/569080017.db2.gz HATRIGRXRWXCQJ-VWLOTQADSA-N 1 1 449.595 5.036 50 0 IKAAMO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036343972 569080045 /nfs/dbraw/zinc/08/00/45/569080045.db2.gz KOMADRYMTJOJSW-AREMUKBSSA-N 1 1 445.538 5.034 50 0 IKAAMO CCOc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036343972 569080046 /nfs/dbraw/zinc/08/00/46/569080046.db2.gz KOMADRYMTJOJSW-AREMUKBSSA-N 1 1 445.538 5.034 50 0 IKAAMO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036344038 569080123 /nfs/dbraw/zinc/08/01/23/569080123.db2.gz FGCGLJYAVFQICN-SANMLTNESA-N 1 1 449.595 5.036 50 0 IKAAMO Cc1ccc(C)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036344520 569080206 /nfs/dbraw/zinc/08/02/06/569080206.db2.gz AXMKCEUGZJJJAW-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036344520 569080207 /nfs/dbraw/zinc/08/02/07/569080207.db2.gz AXMKCEUGZJJJAW-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036345121 569080461 /nfs/dbraw/zinc/08/04/61/569080461.db2.gz GTENNSBFSGAPAY-MHZLTWQESA-N 1 1 441.575 5.122 50 0 IKAAMO COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036345121 569080462 /nfs/dbraw/zinc/08/04/62/569080462.db2.gz GTENNSBFSGAPAY-MHZLTWQESA-N 1 1 441.575 5.122 50 0 IKAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036345122 569080560 /nfs/dbraw/zinc/08/05/60/569080560.db2.gz GTENNSBFSGAPAY-HHHXNRCGSA-N 1 1 441.575 5.122 50 0 IKAAMO COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036345122 569080561 /nfs/dbraw/zinc/08/05/61/569080561.db2.gz GTENNSBFSGAPAY-HHHXNRCGSA-N 1 1 441.575 5.122 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3F)C2)c(C)c1 ZINC000036345491 569080686 /nfs/dbraw/zinc/08/06/86/569080686.db2.gz MDZZGQLEDNUUSK-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3F)C2)c(C)c1 ZINC000036345491 569080687 /nfs/dbraw/zinc/08/06/87/569080687.db2.gz MDZZGQLEDNUUSK-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346284 569081042 /nfs/dbraw/zinc/08/10/42/569081042.db2.gz ZQGKRMBBWKNPNY-HSZRJFAPSA-N 1 1 439.575 5.874 50 0 IKAAMO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346217 569081152 /nfs/dbraw/zinc/08/11/52/569081152.db2.gz CQFPJYLGLUTQFX-QHCPKHFHSA-N 1 1 439.575 5.731 50 0 IKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346374 569081164 /nfs/dbraw/zinc/08/11/64/569081164.db2.gz OZNZNXHBYYQKNB-QFIPXVFZSA-N 1 1 425.548 5.485 50 0 IKAAMO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346421 569081242 /nfs/dbraw/zinc/08/12/42/569081242.db2.gz URYJXRSUUCKHEY-QHCPKHFHSA-N 1 1 437.559 5.485 50 0 IKAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346199 569081245 /nfs/dbraw/zinc/08/12/45/569081245.db2.gz QUZJKKHHGAZCKG-ZCYQVOJMSA-N 1 1 449.595 5.033 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346199 569081246 /nfs/dbraw/zinc/08/12/46/569081246.db2.gz QUZJKKHHGAZCKG-ZCYQVOJMSA-N 1 1 449.595 5.033 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C[C@@H](O)CC ZINC000036346754 569081299 /nfs/dbraw/zinc/08/12/99/569081299.db2.gz FMNWOGPFRLXQRH-NRFANRHFSA-N 1 1 429.511 5.234 50 0 IKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347336 569081311 /nfs/dbraw/zinc/08/13/11/569081311.db2.gz PWXKCCIQIWEFDS-HSZRJFAPSA-N 1 1 428.454 5.273 50 0 IKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347336 569081312 /nfs/dbraw/zinc/08/13/12/569081312.db2.gz PWXKCCIQIWEFDS-HSZRJFAPSA-N 1 1 428.454 5.273 50 0 IKAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000036347359 569081327 /nfs/dbraw/zinc/08/13/27/569081327.db2.gz DQQYWAVCQDHZPI-HSZRJFAPSA-N 1 1 430.470 5.519 50 0 IKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000036347359 569081328 /nfs/dbraw/zinc/08/13/28/569081328.db2.gz DQQYWAVCQDHZPI-HSZRJFAPSA-N 1 1 430.470 5.519 50 0 IKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036347355 569081410 /nfs/dbraw/zinc/08/14/10/569081410.db2.gz GMAYWGULOJCYMC-OAQYLSRUSA-N 1 1 438.415 6.521 50 0 IKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036347355 569081411 /nfs/dbraw/zinc/08/14/11/569081411.db2.gz GMAYWGULOJCYMC-OAQYLSRUSA-N 1 1 438.415 6.521 50 0 IKAAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1OC ZINC000036347361 569081416 /nfs/dbraw/zinc/08/14/16/569081416.db2.gz CIIPEQWOIORCMA-JOCHJYFZSA-N 1 1 430.470 5.519 50 0 IKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1OC ZINC000036347361 569081417 /nfs/dbraw/zinc/08/14/17/569081417.db2.gz CIIPEQWOIORCMA-JOCHJYFZSA-N 1 1 430.470 5.519 50 0 IKAAMO CCOc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347886 569081661 /nfs/dbraw/zinc/08/16/61/569081661.db2.gz ODCXNTASJADNBN-GDLZYMKVSA-N 1 1 438.571 6.674 50 0 IKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)c(OC)c1OC ZINC000036348545 569081772 /nfs/dbraw/zinc/08/17/72/569081772.db2.gz CPXULEDKHLOAAH-RUZDIDTESA-N 1 1 434.580 5.633 50 0 IKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)c(OC)c1OC ZINC000036348545 569081773 /nfs/dbraw/zinc/08/17/73/569081773.db2.gz CPXULEDKHLOAAH-RUZDIDTESA-N 1 1 434.580 5.633 50 0 IKAAMO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccccc32)cc1 ZINC000006858139 569091081 /nfs/dbraw/zinc/09/10/81/569091081.db2.gz LAIOKXNUSPSULS-HSZRJFAPSA-N 1 1 431.624 5.311 50 0 IKAAMO CC(C)CC[C@H](NC(=O)NC1CCCC1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877438 569095983 /nfs/dbraw/zinc/09/59/83/569095983.db2.gz HKXRXIICZVWCRC-FQEVSTJZSA-N 1 1 428.646 5.246 50 0 IKAAMO Cc1ccc(-c2nc(-c3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)s3)no2)cc1 ZINC000065062965 569097698 /nfs/dbraw/zinc/09/76/98/569097698.db2.gz QTRAJWAHNNHFDF-UHFFFAOYSA-N 1 1 438.597 5.158 50 0 IKAAMO Cc1ccccc1NC(=O)Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000065320923 569136360 /nfs/dbraw/zinc/13/63/60/569136360.db2.gz NBRJCOGFPKHEMK-UHFFFAOYSA-N 1 1 438.531 5.691 50 0 IKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000065322362 569136587 /nfs/dbraw/zinc/13/65/87/569136587.db2.gz ULRDMPWECPCMFI-UHFFFAOYSA-N 1 1 434.584 5.148 50 0 IKAAMO O=C([O-])c1ccc(-n2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c3ccccc32)s1 ZINC000065330792 569137043 /nfs/dbraw/zinc/13/70/43/569137043.db2.gz LHWWZIYJVCNMRI-UHFFFAOYSA-N 1 1 445.588 5.144 50 0 IKAAMO C[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000239338723 569138899 /nfs/dbraw/zinc/13/88/99/569138899.db2.gz LBMQWGLSKLHDSA-QWZKXEKUSA-N 1 1 445.606 7.163 50 0 IKAAMO COc1ccc([C@@H](CNC(=O)c2sc(-c3ccsc3)nc2C)[NH+]2CCCCC2)cc1 ZINC000010217969 569153355 /nfs/dbraw/zinc/15/33/55/569153355.db2.gz DYQCZLLVTKEZTG-HXUWFJFHSA-N 1 1 441.622 5.146 50 0 IKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000251180155 569158216 /nfs/dbraw/zinc/15/82/16/569158216.db2.gz RIWWJAOMOXKEGC-PBEJRMEISA-N 1 1 429.992 5.210 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662040 569160850 /nfs/dbraw/zinc/16/08/50/569160850.db2.gz QAMLRPXMMZCXPN-RBUKOAKNSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2Cl)no1 ZINC000089662040 569160851 /nfs/dbraw/zinc/16/08/51/569160851.db2.gz QAMLRPXMMZCXPN-RBUKOAKNSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662162 569160923 /nfs/dbraw/zinc/16/09/23/569160923.db2.gz NYMNHIOZXYHXJA-MOPGFXCFSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662162 569160924 /nfs/dbraw/zinc/16/09/24/569160924.db2.gz NYMNHIOZXYHXJA-MOPGFXCFSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662156 569160939 /nfs/dbraw/zinc/16/09/39/569160939.db2.gz NYMNHIOZXYHXJA-OALUTQOASA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662156 569160940 /nfs/dbraw/zinc/16/09/40/569160940.db2.gz NYMNHIOZXYHXJA-OALUTQOASA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662099 569160985 /nfs/dbraw/zinc/16/09/85/569160985.db2.gz GRHRAEJAGOWHKT-VQTJNVASSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662099 569160986 /nfs/dbraw/zinc/16/09/86/569160986.db2.gz GRHRAEJAGOWHKT-VQTJNVASSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000017113005 569174008 /nfs/dbraw/zinc/17/40/08/569174008.db2.gz UUYLNWRGKFRVQH-UHFFFAOYSA-N 1 1 447.629 6.178 50 0 IKAAMO CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2 ZINC000017113005 569174009 /nfs/dbraw/zinc/17/40/09/569174009.db2.gz UUYLNWRGKFRVQH-UHFFFAOYSA-N 1 1 447.629 6.178 50 0 IKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000017179122 569175684 /nfs/dbraw/zinc/17/56/84/569175684.db2.gz LRKSGCMRGRGHTF-UHFFFAOYSA-N 1 1 445.613 5.932 50 0 IKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000017179122 569175685 /nfs/dbraw/zinc/17/56/85/569175685.db2.gz LRKSGCMRGRGHTF-UHFFFAOYSA-N 1 1 445.613 5.932 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000000638178 569180368 /nfs/dbraw/zinc/18/03/68/569180368.db2.gz DWPXVRNTXHVQOB-DNQXCXABSA-N 1 1 426.907 5.453 50 0 IKAAMO COc1cc(OC)c([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)cc1OC ZINC000037523582 569198555 /nfs/dbraw/zinc/19/85/55/569198555.db2.gz RDNMVJVSMCJOPC-HHHXNRCGSA-N 1 1 434.580 5.633 50 0 IKAAMO COc1cc(OC)c([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)cc1OC ZINC000037523582 569198556 /nfs/dbraw/zinc/19/85/56/569198556.db2.gz RDNMVJVSMCJOPC-HHHXNRCGSA-N 1 1 434.580 5.633 50 0 IKAAMO Cc1ccc(C(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587641 569202057 /nfs/dbraw/zinc/20/20/57/569202057.db2.gz GWBHKDXQJDLHRH-UHFFFAOYSA-N 1 1 438.493 5.724 50 0 IKAAMO CCOC(=O)c1c(C)n(-c2ccc([NH+](CC)CC)cc2)c2c1cc(OCC)c1ccccc21 ZINC000002224321 569204919 /nfs/dbraw/zinc/20/49/19/569204919.db2.gz QYKDZDBLYRQRNB-UHFFFAOYSA-N 1 1 444.575 6.514 50 0 IKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000002251797 569214151 /nfs/dbraw/zinc/21/41/51/569214151.db2.gz PLRPYOYQYJRQAL-VXKWHMMOSA-N 1 1 432.936 5.514 50 0 IKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000239310103 569268812 /nfs/dbraw/zinc/26/88/12/569268812.db2.gz IBNCSKDJHIAUMN-WIYYLYMNSA-N 1 1 433.379 5.295 50 0 IKAAMO C[C@H]1[C@H](c2ccccc2)[N@H+](C2CCCCC2)C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000245309142 569269923 /nfs/dbraw/zinc/26/99/23/569269923.db2.gz BPODYCZWRPAIBO-OQTWNIQDSA-N 1 1 437.627 7.295 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000248339232 569271013 /nfs/dbraw/zinc/27/10/13/569271013.db2.gz SKFHLRLOYXFONB-NQIIRXRSSA-N 1 1 433.577 5.168 50 0 IKAAMO Clc1ccc(Oc2cccc(CN3CC[N@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000252469973 569271252 /nfs/dbraw/zinc/27/12/52/569271252.db2.gz CAUUZMHTQOKFAB-UIOOFZCWSA-N 1 1 425.016 6.361 50 0 IKAAMO CSc1ccc2cc(CNC3CC[NH+](Cc4ccccc4)CC3)c(=O)n(CC(C)C)c2c1 ZINC000299799047 569283637 /nfs/dbraw/zinc/28/36/37/569283637.db2.gz UNTQTUXNRJRZBH-UHFFFAOYSA-N 1 1 449.664 5.134 50 0 IKAAMO Cc1ccc(C[N@@H+](C)[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000013040513 569308018 /nfs/dbraw/zinc/30/80/18/569308018.db2.gz SENXMCFHFNFWKD-JOCHJYFZSA-N 1 1 446.900 6.479 50 0 IKAAMO Cc1ccc(C[N@H+](C)[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000013040513 569308020 /nfs/dbraw/zinc/30/80/20/569308020.db2.gz SENXMCFHFNFWKD-JOCHJYFZSA-N 1 1 446.900 6.479 50 0 IKAAMO C[N@H+]1C[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000013397886 569315449 /nfs/dbraw/zinc/31/54/49/569315449.db2.gz GDBDLBPXGKPWAX-YADHBBJMSA-N 1 1 426.343 6.314 50 0 IKAAMO C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)OC[N@H+]2C1 ZINC000070691808 569315473 /nfs/dbraw/zinc/31/54/73/569315473.db2.gz GRMUAQMHJKQVFL-AFMXNGOSSA-N 1 1 427.673 5.629 50 0 biogenic IKAAMO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C12CCCCC2 ZINC000078989978 569321407 /nfs/dbraw/zinc/32/14/07/569321407.db2.gz IWTVFJOUHWPWNG-NHCUHLMSSA-N 1 1 448.032 5.699 50 0 IKAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 ZINC000079026620 569322965 /nfs/dbraw/zinc/32/29/65/569322965.db2.gz DYDKWURQJLRDPZ-LJQANCHMSA-N 1 1 438.531 5.232 50 0 IKAAMO O=c1c2cc(Cl)ccc2[nH]c(-c2ccccc2)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019793409 569329415 /nfs/dbraw/zinc/32/94/15/569329415.db2.gz ZQOUNKUJAYKHMQ-UHFFFAOYSA-N 1 1 443.978 5.166 50 0 IKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)[N@H+](C)CC3)OCO2 ZINC000020111706 569334613 /nfs/dbraw/zinc/33/46/13/569334613.db2.gz VCYLUWWVUJRDTH-FPOVZHCZSA-N 1 1 425.569 5.385 50 0 biogenic IKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)[N@@H+](C)CC3)OCO2 ZINC000020111706 569334614 /nfs/dbraw/zinc/33/46/14/569334614.db2.gz VCYLUWWVUJRDTH-FPOVZHCZSA-N 1 1 425.569 5.385 50 0 biogenic IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1C ZINC000020192893 569355752 /nfs/dbraw/zinc/35/57/52/569355752.db2.gz OLXKBMWTPOHITG-NRFANRHFSA-N 1 1 444.000 5.200 50 0 IKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)NCCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000020240934 569357726 /nfs/dbraw/zinc/35/77/26/569357726.db2.gz HLAYSHFAHXNPDN-VWLOTQADSA-N 1 1 445.607 5.092 50 0 IKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000020241031 569357917 /nfs/dbraw/zinc/35/79/17/569357917.db2.gz JUXMFMGUMQOUMC-OAQYLSRUSA-N 1 1 437.971 5.140 50 0 IKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000020240957 569357926 /nfs/dbraw/zinc/35/79/26/569357926.db2.gz LRNYIUKQDXTQOQ-HXUWFJFHSA-N 1 1 444.019 5.745 50 0 IKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000020241033 569357943 /nfs/dbraw/zinc/35/79/43/569357943.db2.gz JUXMFMGUMQOUMC-NRFANRHFSA-N 1 1 437.971 5.140 50 0 IKAAMO CC[C@@H](NC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)c1nc(-c2ccccc2)c[nH]1 ZINC000095460881 569369730 /nfs/dbraw/zinc/36/97/30/569369730.db2.gz SSZZUUQWLAQVBV-JOCHJYFZSA-N 1 1 442.567 5.718 50 0 IKAAMO C[C@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000095994645 569378503 /nfs/dbraw/zinc/37/85/03/569378503.db2.gz DPHYODNXHRBPLX-ABSDTBQOSA-N 1 1 444.501 5.317 50 0 IKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(Cl)c2)CC1 ZINC000096277944 569388997 /nfs/dbraw/zinc/38/89/97/569388997.db2.gz GJVAYGQCCZVDMC-LJQANCHMSA-N 1 1 430.379 5.161 50 0 IKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3occc3c(Nc3ccc(Cl)cc3)n2)C1 ZINC000096323651 569395386 /nfs/dbraw/zinc/39/53/86/569395386.db2.gz VDBJCQQITOAMNS-INIZCTEOSA-N 1 1 426.948 5.077 50 0 IKAAMO O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689194 569407206 /nfs/dbraw/zinc/40/72/06/569407206.db2.gz LLKNIXJHPNZHIB-UHFFFAOYSA-N 1 1 436.552 5.342 50 0 IKAAMO COc1ccccc1[C@@H](CNC(=O)c1sc2ccc(Br)cc2c1C)[NH+](C)C ZINC000028405041 569409905 /nfs/dbraw/zinc/40/99/05/569409905.db2.gz BYQRVVXPSZJEMI-QGZVFWFLSA-N 1 1 447.398 5.014 50 0 IKAAMO CCOC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000002679405 569416717 /nfs/dbraw/zinc/41/67/17/569416717.db2.gz YUZPPAXFFYMQOJ-UHFFFAOYSA-N 1 1 434.989 5.368 50 0 IKAAMO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 ZINC000002714791 569417921 /nfs/dbraw/zinc/41/79/21/569417921.db2.gz OOYFYQMWQFXQDH-WIYYLYMNSA-N 1 1 428.555 6.853 50 0 IKAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002915134 569425097 /nfs/dbraw/zinc/42/50/97/569425097.db2.gz JUJUXASPKXSVIW-BJKOFHAPSA-N 1 1 426.907 5.453 50 0 IKAAMO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002915135 569425125 /nfs/dbraw/zinc/42/51/25/569425125.db2.gz JUJUXASPKXSVIW-RPWUZVMVSA-N 1 1 426.907 5.453 50 0 IKAAMO 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433.602 6.529 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547110 569463802 /nfs/dbraw/zinc/46/38/02/569463802.db2.gz XZQRGZHBTOEPDS-HSZRJFAPSA-N 1 1 447.560 6.069 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547782 569463874 /nfs/dbraw/zinc/46/38/74/569463874.db2.gz XQMAQOPGRGEBFT-JOCHJYFZSA-N 1 1 435.524 6.200 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c1C ZINC000038547598 569463888 /nfs/dbraw/zinc/46/38/88/569463888.db2.gz UTUUWCAJVLWJMM-JOCHJYFZSA-N 1 1 435.524 6.254 50 0 IKAAMO O=C1N[C@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722389 569471789 /nfs/dbraw/zinc/47/17/89/569471789.db2.gz PNOSBHMWSPWLBJ-FQEVSTJZSA-N 1 1 444.387 5.467 50 0 IKAAMO O=C1N[C@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722389 569471790 /nfs/dbraw/zinc/47/17/90/569471790.db2.gz PNOSBHMWSPWLBJ-FQEVSTJZSA-N 1 1 444.387 5.467 50 0 IKAAMO 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QWRSAFHHYNKMFL-JOCHJYFZSA-N 1 1 438.971 5.350 50 0 IKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843623 519709781 /nfs/dbraw/zinc/70/97/81/519709781.db2.gz QWRSAFHHYNKMFL-JOCHJYFZSA-N 1 1 438.971 5.350 50 0 IKAAMO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843624 519710098 /nfs/dbraw/zinc/71/00/98/519710098.db2.gz QWRSAFHHYNKMFL-QFIPXVFZSA-N 1 1 438.971 5.350 50 0 IKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843624 519710100 /nfs/dbraw/zinc/71/01/00/519710100.db2.gz QWRSAFHHYNKMFL-QFIPXVFZSA-N 1 1 438.971 5.350 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1F ZINC000035841249 519791317 /nfs/dbraw/zinc/79/13/17/519791317.db2.gz AKXLWFJMXIBRTM-LJQANCHMSA-N 1 1 432.505 6.741 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844681 519791328 /nfs/dbraw/zinc/79/13/28/519791328.db2.gz QYZNZAVEHHRWEK-LJQANCHMSA-N 1 1 432.505 6.741 50 0 IKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012895247 519841179 /nfs/dbraw/zinc/84/11/79/519841179.db2.gz RVZLNRJTKKIMAG-UHFFFAOYSA-N 1 1 436.596 6.045 50 0 IKAAMO CCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035844746 520441299 /nfs/dbraw/zinc/44/12/99/520441299.db2.gz GUUUVPSZLUFBBT-UHFFFAOYSA-N 1 1 436.571 5.601 50 0 IKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000035843642 520442437 /nfs/dbraw/zinc/44/24/37/520442437.db2.gz JENNSLIZBJXLAP-QFIPXVFZSA-N 1 1 437.436 5.870 50 0 IKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(OC)c1 ZINC000035843640 520443242 /nfs/dbraw/zinc/44/32/42/520443242.db2.gz HBOZQAPMYPGAFZ-QHCPKHFHSA-N 1 1 433.017 5.225 50 0 IKAAMO CCCC[N@@H+](CCC)CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000020734537 520487776 /nfs/dbraw/zinc/48/77/76/520487776.db2.gz KLYOSTFVQPZKGX-PXLXIMEGSA-N 1 1 441.572 5.110 50 0 IKAAMO CCCC[N@@H+](CCNc1ncnc2onc(-c3cccc(Cl)c3)c21)Cc1ccco1 ZINC000021650600 520507223 /nfs/dbraw/zinc/50/72/23/520507223.db2.gz AIKPEFGCQUMNAO-UHFFFAOYSA-N 1 1 425.920 5.245 50 0 IKAAMO CCOc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)c3ccccc3n2)cc1 ZINC000020682316 520804638 /nfs/dbraw/zinc/80/46/38/520804638.db2.gz TURIWMLUDDHEMZ-QFIPXVFZSA-N 1 1 445.607 5.685 50 0 IKAAMO CCOc1ccc([C@@](O)(CCC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447046 521249861 /nfs/dbraw/zinc/24/98/61/521249861.db2.gz CMGZZHHJWZJKQF-FTJBHMTQSA-N 1 1 446.031 5.479 50 0 IKAAMO CCCCc1nc(C[NH+]2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)c[nH]1 ZINC000012433773 521294751 /nfs/dbraw/zinc/29/47/51/521294751.db2.gz IJSIPVRGSIQZJI-UHFFFAOYSA-N 1 1 446.595 5.279 50 0 IKAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012302535 521484117 /nfs/dbraw/zinc/48/41/17/521484117.db2.gz FGFHQTRMJQCAIR-SFHVURJKSA-N 1 1 430.976 5.378 50 0 IKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(F)c4)o3)cc2Cl)CC1 ZINC000041091646 521698984 /nfs/dbraw/zinc/69/89/84/521698984.db2.gz XVHUQKOVHOOEAJ-UHFFFAOYSA-N 1 1 427.907 5.133 50 0 IKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](CCC(C)C)NC(=O)NC2CCCC2)C1 ZINC000020532205 521724657 /nfs/dbraw/zinc/72/46/57/521724657.db2.gz JOGXTVLTLGVFAQ-OAQYLSRUSA-N 1 1 442.673 5.636 50 0 IKAAMO CCc1cccc2c([C@H](CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3cccc(F)c3)c[nH]c21 ZINC000035889279 521794826 /nfs/dbraw/zinc/79/48/26/521794826.db2.gz VKFYBNWQKVTINI-NBGIEHNGSA-N 1 1 449.614 5.772 50 0 IKAAMO CCc1ccccc1NC(=O)N[C@H](CC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532219 521897177 /nfs/dbraw/zinc/89/71/77/521897177.db2.gz NKSJGPDKTSTGIF-HXUWFJFHSA-N 1 1 436.625 5.752 50 0 IKAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@H](COc4cccc(F)c4)C3)c(C)o2)ccc1F ZINC000012304173 521904485 /nfs/dbraw/zinc/90/44/85/521904485.db2.gz GCDVDDPGVLWSHL-KRWDZBQOSA-N 1 1 428.479 5.228 50 0 IKAAMO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl ZINC000012767491 522071315 /nfs/dbraw/zinc/07/13/15/522071315.db2.gz RASFWNVRQFUTMP-LJQANCHMSA-N 1 1 432.351 5.000 50 0 IKAAMO COC(=O)c1ccccc1C[N@H+](Cc1cccn1Cc1ccc(C)cc1)CC1CCCCC1 ZINC000035841087 522261720 /nfs/dbraw/zinc/26/17/20/522261720.db2.gz VGHPVPUSIOBSQC-UHFFFAOYSA-N 1 1 444.619 6.214 50 0 IKAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000012418668 522968659 /nfs/dbraw/zinc/96/86/59/522968659.db2.gz FHCDSSAQYVTDRX-QXWFJRNPSA-N 1 1 445.987 5.234 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560156 523021517 /nfs/dbraw/zinc/02/15/17/523021517.db2.gz BNZCKVNWAGYWHR-QHCPKHFHSA-N 1 1 439.003 5.122 50 0 IKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012342834 523050712 /nfs/dbraw/zinc/05/07/12/523050712.db2.gz PIELDJLKGZCLNU-ZICGYBOYSA-N 1 1 433.979 6.408 50 0 IKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](C/C(C)=C/c1ccccc1)CC2 ZINC000012342834 523050718 /nfs/dbraw/zinc/05/07/18/523050718.db2.gz PIELDJLKGZCLNU-ZICGYBOYSA-N 1 1 433.979 6.408 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000012208075 523138441 /nfs/dbraw/zinc/13/84/41/523138441.db2.gz PPNDSXCLZLEOMC-LJQANCHMSA-N 1 1 436.502 5.491 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000012208075 523138452 /nfs/dbraw/zinc/13/84/52/523138452.db2.gz PPNDSXCLZLEOMC-LJQANCHMSA-N 1 1 436.502 5.491 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)cc1 ZINC000012432203 523139984 /nfs/dbraw/zinc/13/99/84/523139984.db2.gz LMGYSSNDQIRRHB-FQEVSTJZSA-N 1 1 436.502 5.491 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)c(C)o2)c2ccccc12 ZINC000012373776 523199725 /nfs/dbraw/zinc/19/97/25/523199725.db2.gz ISKCAUQKARGDAY-UHFFFAOYSA-N 1 1 438.531 5.630 50 0 IKAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)c(C)o2)c2ccccc12 ZINC000012373776 523199736 /nfs/dbraw/zinc/19/97/36/523199736.db2.gz ISKCAUQKARGDAY-UHFFFAOYSA-N 1 1 438.531 5.630 50 0 IKAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)CCc2ccccn2)cc1F ZINC000012304587 523244962 /nfs/dbraw/zinc/24/49/62/523244962.db2.gz LBIDAORFPOFIFB-UHFFFAOYSA-N 1 1 430.527 5.065 50 0 IKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 ZINC000012905566 523378512 /nfs/dbraw/zinc/37/85/12/523378512.db2.gz NFSVBNIAMZJNAJ-UHFFFAOYSA-N 1 1 447.604 6.017 50 0 IKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cccc(SC)c1)[C@@H]2c1ccccc1 ZINC000021045559 523718658 /nfs/dbraw/zinc/71/86/58/523718658.db2.gz LYYQJAAZINKSDN-XMMPIXPASA-N 1 1 436.646 5.927 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cccc(SC)c1)[C@@H]2c1ccccc1 ZINC000021045559 523718666 /nfs/dbraw/zinc/71/86/66/523718666.db2.gz LYYQJAAZINKSDN-XMMPIXPASA-N 1 1 436.646 5.927 50 0 IKAAMO COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)c1ccccc1 ZINC000012568134 523834079 /nfs/dbraw/zinc/83/40/79/523834079.db2.gz OJNMNUYRCCCUCU-MHZLTWQESA-N 1 1 443.591 6.032 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476915 523843454 /nfs/dbraw/zinc/84/34/54/523843454.db2.gz HKCWDLQTETYBIC-QHCPKHFHSA-N 1 1 428.561 5.863 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476924 523843734 /nfs/dbraw/zinc/84/37/34/523843734.db2.gz ROPIICJPYKNTMH-JOCHJYFZSA-N 1 1 433.602 6.529 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476925 523843751 /nfs/dbraw/zinc/84/37/51/523843751.db2.gz ROPIICJPYKNTMH-QFIPXVFZSA-N 1 1 433.602 6.529 50 0 IKAAMO CCc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)o1 ZINC000020452179 523924941 /nfs/dbraw/zinc/92/49/41/523924941.db2.gz RGONRIVQJILZRH-JOCHJYFZSA-N 1 1 438.575 6.049 50 0 IKAAMO C[N@@H+]1CCc2c(sc3nc(SCc4ccccc4)n(C4CCCCC4)c(=O)c32)C1 ZINC000020827401 523995149 /nfs/dbraw/zinc/99/51/49/523995149.db2.gz GKEPUFQROPLXEV-UHFFFAOYSA-N 1 1 425.623 5.243 50 0 IKAAMO C[N@H+]1CCc2c(sc3nc(SCc4ccccc4)n(C4CCCCC4)c(=O)c32)C1 ZINC000020827401 523995152 /nfs/dbraw/zinc/99/51/52/523995152.db2.gz GKEPUFQROPLXEV-UHFFFAOYSA-N 1 1 425.623 5.243 50 0 IKAAMO COc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c(OC)c1C ZINC000012318612 524014320 /nfs/dbraw/zinc/01/43/20/524014320.db2.gz BPKXXLWOCPRZQL-UHFFFAOYSA-N 1 1 437.628 5.064 50 0 IKAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 ZINC000012866310 524016251 /nfs/dbraw/zinc/01/62/51/524016251.db2.gz YEEQIDRCKNGTNY-WEAOWZTESA-N 1 1 449.591 5.605 50 0 biogenic IKAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)c1 ZINC000036031695 524099256 /nfs/dbraw/zinc/09/92/56/524099256.db2.gz GQJPQRAUFOZQBB-DEOSSOPVSA-N 1 1 427.947 5.538 50 0 IKAAMO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012303178 524317833 /nfs/dbraw/zinc/31/78/33/524317833.db2.gz LNTFQWNTUHBPLZ-AIADIJKESA-N 1 1 442.987 5.501 50 0 IKAAMO Cc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)s1 ZINC000014998584 524452008 /nfs/dbraw/zinc/45/20/08/524452008.db2.gz CSHUFAPXFNMMKU-QFIPXVFZSA-N 1 1 440.616 6.264 50 0 IKAAMO Cc1ccc(Cc2nsc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000035771005 524698852 /nfs/dbraw/zinc/69/88/52/524698852.db2.gz LRAMKFLKVSWIQJ-UHFFFAOYSA-N 1 1 440.616 5.349 50 0 IKAAMO C[C@@H](CNC(=O)c1ccccc1C(F)(F)F)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000012279820 524723358 /nfs/dbraw/zinc/72/33/58/524723358.db2.gz SDFADHJBHDGTJB-KRWDZBQOSA-N 1 1 446.469 5.128 50 0 IKAAMO Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)C[N@@H+](C)CC3 ZINC000035426949 524749865 /nfs/dbraw/zinc/74/98/65/524749865.db2.gz OIABGGNBKZPTOB-OAHLLOKOSA-N 1 1 441.000 5.597 50 0 IKAAMO Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)C[N@H+](C)CC3 ZINC000035426949 524749876 /nfs/dbraw/zinc/74/98/76/524749876.db2.gz OIABGGNBKZPTOB-OAHLLOKOSA-N 1 1 441.000 5.597 50 0 IKAAMO COc1ccc(OC[C@@H]2CCC[N@@H+](Cc3nc(-c4cccc(F)c4F)oc3C)C2)cc1 ZINC000012751188 524967945 /nfs/dbraw/zinc/96/79/45/524967945.db2.gz LJFBQFQMRVVHJH-QGZVFWFLSA-N 1 1 428.479 5.228 50 0 IKAAMO Cc1ccc(NC(=O)CNc2ccccc2C[N@H+](C)C2CCCCC2)c(Br)c1 ZINC000012512884 525064349 /nfs/dbraw/zinc/06/43/49/525064349.db2.gz LKCJZYAKPFDKBN-UHFFFAOYSA-N 1 1 444.417 5.573 50 0 IKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@@H+](C)CC4)c(Cl)c1 ZINC000035426940 525149820 /nfs/dbraw/zinc/14/98/20/525149820.db2.gz RUGBPKHTVYAWBJ-HNNXBMFYSA-N 1 1 441.000 5.597 50 0 IKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@H+](C)CC4)c(Cl)c1 ZINC000035426940 525149831 /nfs/dbraw/zinc/14/98/31/525149831.db2.gz RUGBPKHTVYAWBJ-HNNXBMFYSA-N 1 1 441.000 5.597 50 0 IKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476837 525204783 /nfs/dbraw/zinc/20/47/83/525204783.db2.gz RBUZPCPLZNFUMB-XMMPIXPASA-N 1 1 443.572 6.222 50 0 IKAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000015678422 525211505 /nfs/dbraw/zinc/21/15/05/525211505.db2.gz VVCCHTOMCWCXBC-ZRZAMGCNSA-N 1 1 445.651 5.415 50 0 IKAAMO COc1ccc([C@@](O)(CCC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446969 525284172 /nfs/dbraw/zinc/28/41/72/525284172.db2.gz BKARIVRTTVHMED-DQEYMECFSA-N 1 1 432.004 5.088 50 0 IKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](C[C@@H](C)c2ccccc2)C3)c1OC ZINC000020999442 525711690 /nfs/dbraw/zinc/71/16/90/525711690.db2.gz QQCMIWVEXIISPY-LJQANCHMSA-N 1 1 433.548 5.378 50 0 IKAAMO Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[NH+]3CCC(C)CC3)n2)cc1 ZINC000021659578 525713324 /nfs/dbraw/zinc/71/33/24/525713324.db2.gz QZASFHQIWBQOIU-UHFFFAOYSA-N 1 1 434.971 5.443 50 0 IKAAMO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3cc(F)ccc3F)CC2)c1 ZINC000012443076 525715024 /nfs/dbraw/zinc/71/50/24/525715024.db2.gz GKRMMTNIXGMASN-UHFFFAOYSA-N 1 1 436.502 5.491 50 0 IKAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](c4ccc(Cl)cc4)C3)c(C)o2)c1OC ZINC000020780069 525723899 /nfs/dbraw/zinc/72/38/99/525723899.db2.gz KHFSRTWDATXEKC-GOSISDBHSA-N 1 1 426.944 5.700 50 0 IKAAMO COc1cccc(C[N@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000035843630 525920325 /nfs/dbraw/zinc/92/03/25/525920325.db2.gz OISVJDUJIGRRBM-QHCPKHFHSA-N 1 1 433.017 5.081 50 0 IKAAMO COc1cccc(C[N@@H+](CCC(C)C)Cc2cccn2Cc2cccc(C(F)(F)F)c2)c1 ZINC000035841198 525921134 /nfs/dbraw/zinc/92/11/34/525921134.db2.gz KCOAPNQUAJHQRZ-UHFFFAOYSA-N 1 1 444.541 6.612 50 0 IKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000035569250 526213987 /nfs/dbraw/zinc/21/39/87/526213987.db2.gz IBNCSKDJHIAUMN-NQIIRXRSSA-N 1 1 433.379 5.295 50 0 IKAAMO CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020827205 526218507 /nfs/dbraw/zinc/21/85/07/526218507.db2.gz GMXAFXYKZAGVOZ-UHFFFAOYSA-N 1 1 433.602 5.036 50 0 IKAAMO CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020827205 526218511 /nfs/dbraw/zinc/21/85/11/526218511.db2.gz GMXAFXYKZAGVOZ-UHFFFAOYSA-N 1 1 433.602 5.036 50 0 IKAAMO O=C(CCCCc1ccccc1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011874090 526429689 /nfs/dbraw/zinc/42/96/89/526429689.db2.gz DHDGZIHOJSFZTO-MHZLTWQESA-N 1 1 447.667 5.868 50 0 IKAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3[nH]2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012302078 526554346 /nfs/dbraw/zinc/55/43/46/526554346.db2.gz HXYMRPQZLDIWLM-INIZCTEOSA-N 1 1 430.474 5.213 50 0 IKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012302078 526554352 /nfs/dbraw/zinc/55/43/52/526554352.db2.gz HXYMRPQZLDIWLM-INIZCTEOSA-N 1 1 430.474 5.213 50 0 IKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1)NCc1ccccc1Cl ZINC000012305938 526554472 /nfs/dbraw/zinc/55/44/72/526554472.db2.gz MYEWOESSJMOTGC-IBGZPJMESA-N 1 1 436.987 5.039 50 0 IKAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000022907899 526582352 /nfs/dbraw/zinc/58/23/52/526582352.db2.gz QPPUXQODVXAHPD-HXUWFJFHSA-N 1 1 441.394 5.040 50 0 IKAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000022907899 526582359 /nfs/dbraw/zinc/58/23/59/526582359.db2.gz QPPUXQODVXAHPD-HXUWFJFHSA-N 1 1 441.394 5.040 50 0 IKAAMO O=C(c1ccc(F)cc1F)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012191768 526691913 /nfs/dbraw/zinc/69/19/13/526691913.db2.gz UUXMEVWGWXCADV-HXUWFJFHSA-N 1 1 427.539 5.047 50 0 IKAAMO O=C(c1ccc(F)cc1F)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012191769 526692647 /nfs/dbraw/zinc/69/26/47/526692647.db2.gz UUXMEVWGWXCADV-FQEVSTJZSA-N 1 1 427.539 5.047 50 0 IKAAMO O=C(c1ccc(OC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1)N1CCCCC1 ZINC000012056341 526707929 /nfs/dbraw/zinc/70/79/29/526707929.db2.gz PRTXGWIGFIOHEK-UHFFFAOYSA-N 1 1 430.951 5.149 50 0 IKAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1Cc1ccccc1 ZINC000012582099 526754129 /nfs/dbraw/zinc/75/41/29/526754129.db2.gz SWVYXEXCMNYXQZ-RUZDIDTESA-N 1 1 442.559 5.214 50 0 IKAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1Cc1ccccc1 ZINC000012582099 526754136 /nfs/dbraw/zinc/75/41/36/526754136.db2.gz SWVYXEXCMNYXQZ-RUZDIDTESA-N 1 1 442.559 5.214 50 0 IKAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1Cc1ccccc1 ZINC000012582108 526758586 /nfs/dbraw/zinc/75/85/86/526758586.db2.gz SWVYXEXCMNYXQZ-VWLOTQADSA-N 1 1 442.559 5.214 50 0 IKAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1Cc1ccccc1 ZINC000012582108 526758589 /nfs/dbraw/zinc/75/85/89/526758589.db2.gz SWVYXEXCMNYXQZ-VWLOTQADSA-N 1 1 442.559 5.214 50 0 IKAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012809619 526814055 /nfs/dbraw/zinc/81/40/55/526814055.db2.gz IJTHSHYWZIATEW-UZUQRXQVSA-N 1 1 437.634 5.073 50 0 IKAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012809619 526814061 /nfs/dbraw/zinc/81/40/61/526814061.db2.gz IJTHSHYWZIATEW-UZUQRXQVSA-N 1 1 437.634 5.073 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c1C ZINC000035476910 526884543 /nfs/dbraw/zinc/88/45/43/526884543.db2.gz QVEPJZDIFLGFBV-QFIPXVFZSA-N 1 1 433.602 6.584 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1C ZINC000022917879 526884883 /nfs/dbraw/zinc/88/48/83/526884883.db2.gz QOLCRCBTSQBICN-QHCPKHFHSA-N 1 1 437.584 5.093 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)cc[nH+]2)c2cccnc2)c1C ZINC000035476896 526884980 /nfs/dbraw/zinc/88/49/80/526884980.db2.gz BCZYXVSTRYLARZ-QHCPKHFHSA-N 1 1 428.561 5.917 50 0 IKAAMO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3ccc(F)c(F)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012890492 526893375 /nfs/dbraw/zinc/89/33/75/526893375.db2.gz ZPFMCSKOADHBIG-ZDUSSCGKSA-N 1 1 425.504 5.397 50 0 IKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2cccs2)cc1 ZINC000041098013 526937767 /nfs/dbraw/zinc/93/77/67/526937767.db2.gz BHYLAYUWOSJBEK-UHFFFAOYSA-N 1 1 430.964 6.457 50 0 IKAAMO Clc1ccc(Oc2cccc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000022591712 526959004 /nfs/dbraw/zinc/95/90/04/526959004.db2.gz ACHZCMXOZSOIRC-UHFFFAOYSA-N 1 1 436.939 5.179 50 0 IKAAMO Clc1cccc(-c2ccc(C[N@@H+]3CCc4nnc(CCc5ccccc5)n4CC3)o2)c1 ZINC000020780231 526970462 /nfs/dbraw/zinc/97/04/62/526970462.db2.gz LSJHTESIOUWSDW-UHFFFAOYSA-N 1 1 432.955 5.035 50 0 IKAAMO O=C(COc1ccc2ccccc2c1)NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907879 526972048 /nfs/dbraw/zinc/97/20/48/526972048.db2.gz LMHWYMQYVUSTGF-VWLOTQADSA-N 1 1 442.584 5.196 50 0 IKAAMO O=C(COc1ccc2ccccc2c1)NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907879 526972053 /nfs/dbraw/zinc/97/20/53/526972053.db2.gz LMHWYMQYVUSTGF-VWLOTQADSA-N 1 1 442.584 5.196 50 0 IKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)[nH+]1 ZINC000021794224 527003472 /nfs/dbraw/zinc/00/34/72/527003472.db2.gz XIPVHFMUZHSDPZ-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794224 527003481 /nfs/dbraw/zinc/00/34/81/527003481.db2.gz XIPVHFMUZHSDPZ-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)[nH+]1 ZINC000021794301 527003930 /nfs/dbraw/zinc/00/39/30/527003930.db2.gz CTJFKJKHKSPQJM-UHFFFAOYSA-N 1 1 443.595 6.069 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794301 527003935 /nfs/dbraw/zinc/00/39/35/527003935.db2.gz CTJFKJKHKSPQJM-UHFFFAOYSA-N 1 1 443.595 6.069 50 0 IKAAMO O=C(Nc1ccccc1)c1ccc(C[NH2+][C@H](c2cc3ccccc3o2)c2ccccc2)cc1 ZINC000012787767 527399326 /nfs/dbraw/zinc/39/93/26/527399326.db2.gz NATFDPBBSVPDLV-NDEPHWFRSA-N 1 1 432.523 6.564 50 0 IKAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000012307972 527433849 /nfs/dbraw/zinc/43/38/49/527433849.db2.gz JMCDKRUGWXELCN-KOXUSJRISA-N 1 1 431.511 5.377 50 0 IKAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035840615 527661926 /nfs/dbraw/zinc/66/19/26/527661926.db2.gz OIZRDIIZVVXNGO-AREMUKBSSA-N 1 1 444.550 5.118 50 0 IKAAMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 ZINC000013128044 535373892 /nfs/dbraw/zinc/37/38/92/535373892.db2.gz GQGZGVRBYNZNMQ-AREMUKBSSA-N 1 1 449.620 5.026 50 0 IKAAMO CCOc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)C[NH+]1CCCCC1 ZINC000008694674 535430638 /nfs/dbraw/zinc/43/06/38/535430638.db2.gz RGALZVGXCOTFBE-UHFFFAOYSA-N 1 1 434.652 5.672 50 0 IKAAMO COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000633734 555516088 /nfs/dbraw/zinc/51/60/88/555516088.db2.gz VFKJIMSMWKLQNW-ZEQRLZLVSA-N 1 1 442.906 5.153 50 0 IKAAMO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843539 555568431 /nfs/dbraw/zinc/56/84/31/555568431.db2.gz QIPZVDQHCSKCMN-DHIUTWEWSA-N 1 1 430.870 5.283 50 0 IKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)c1 ZINC000001108865 555630493 /nfs/dbraw/zinc/63/04/93/555630493.db2.gz YTMKGXMRONIIEY-UHFFFAOYSA-N 1 1 445.448 6.113 50 0 IKAAMO CC(C)=CC(=O)N1CC[NH+](C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022631087 555726922 /nfs/dbraw/zinc/72/69/22/555726922.db2.gz MJKCJJSWGRNRQG-XMMPIXPASA-N 1 1 426.988 5.017 50 0 IKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667472 555791768 /nfs/dbraw/zinc/79/17/68/555791768.db2.gz YAXFIAZKGNUNPQ-WINIVTDRSA-N 1 1 444.550 5.019 50 0 IKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667472 555791769 /nfs/dbraw/zinc/79/17/69/555791769.db2.gz YAXFIAZKGNUNPQ-WINIVTDRSA-N 1 1 444.550 5.019 50 0 IKAAMO C[C@@H](NC(=O)c1cccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1)c1ccccc1 ZINC000034668643 555792438 /nfs/dbraw/zinc/79/24/38/555792438.db2.gz XQOWZKBOBOHYPD-HXUWFJFHSA-N 1 1 433.983 5.153 50 0 IKAAMO CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034671595 555793008 /nfs/dbraw/zinc/79/30/08/555793008.db2.gz BZGNDTZUVYELPW-NSOVKSMOSA-N 1 1 442.603 5.436 50 0 IKAAMO CCN(C)C(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671567 555793064 /nfs/dbraw/zinc/79/30/64/555793064.db2.gz ROOMXRGYCUNMFW-IDISGSTGSA-N 1 1 428.576 5.080 50 0 IKAAMO CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034671805 555793121 /nfs/dbraw/zinc/79/31/21/555793121.db2.gz DSRVWTDQIQUZFF-IDISGSTGSA-N 1 1 428.576 5.046 50 0 IKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(OCC(=O)NC(C)C)cc3[C@H]2c2ccccc2)c1 ZINC000034671864 555793378 /nfs/dbraw/zinc/79/33/78/555793378.db2.gz JLKVSOOTEBSARA-MUUNZHRXSA-N 1 1 428.576 5.046 50 0 IKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]2c2ccccc2)cc1 ZINC000034698959 555812447 /nfs/dbraw/zinc/81/24/47/555812447.db2.gz JCSKEPZSDKRCKX-KAYWLYCHSA-N 1 1 430.592 5.602 50 0 IKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699088 555812766 /nfs/dbraw/zinc/81/27/66/555812766.db2.gz DONBNZOENJWJPE-RSXGOPAZSA-N 1 1 432.633 5.823 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000034699081 555812799 /nfs/dbraw/zinc/81/27/99/555812799.db2.gz GKXFADCWXQLVNI-VMPREFPWSA-N 1 1 440.631 6.070 50 0 IKAAMO O=C(c1ccccc1)N(C[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000034699018 555812839 /nfs/dbraw/zinc/81/28/39/555812839.db2.gz XTXXUZNVFNJAAJ-NAKRPHOHSA-N 1 1 441.619 5.705 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)o1 ZINC000034699095 555813975 /nfs/dbraw/zinc/81/39/75/555813975.db2.gz IPEOCWLBZFFVSE-XNMGPUDCSA-N 1 1 430.592 5.663 50 0 IKAAMO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1)c1ccccc1 ZINC000034681881 555815681 /nfs/dbraw/zinc/81/56/81/555815681.db2.gz YOEQYGYNUOIKOB-VWLOTQADSA-N 1 1 446.570 5.065 50 0 IKAAMO Cc1cccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccccc4Cl)CC3)nc2)c1 ZINC000034681859 555815699 /nfs/dbraw/zinc/81/56/99/555815699.db2.gz YFWJKMFNYFEUHH-UHFFFAOYSA-N 1 1 434.971 5.008 50 0 IKAAMO Cc1ccc([C@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699099 555815971 /nfs/dbraw/zinc/81/59/71/555815971.db2.gz FAVFHMFMHYJSGQ-CLJLJLNGSA-N 1 1 432.633 5.823 50 0 IKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711274 555824407 /nfs/dbraw/zinc/82/44/07/555824407.db2.gz ZJSKDGOQOFWAHE-BYXVTNLJSA-N 1 1 430.567 5.617 50 0 IKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711212 555824426 /nfs/dbraw/zinc/82/44/26/555824426.db2.gz YDMKWTYGMQDKGS-CLJLJLNGSA-N 1 1 430.567 5.099 50 0 IKAAMO COc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711270 555824458 /nfs/dbraw/zinc/82/44/58/555824458.db2.gz GSEIMQAEPFIHEQ-PKTZIBPZSA-N 1 1 432.539 5.387 50 0 IKAAMO COc1ccc(CN2C[C@@H](c3cccc(C(F)(F)F)c3)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000034723296 555861585 /nfs/dbraw/zinc/86/15/85/555861585.db2.gz YYCBLFJRKNEGLY-QPPBQGQZSA-N 1 1 432.530 5.416 50 0 IKAAMO COc1cccc(CN2C[C@H](C[NH+]3CCCCC3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034723344 555862035 /nfs/dbraw/zinc/86/20/35/555862035.db2.gz OZQKILQMNRJXOJ-URXFXBBRSA-N 1 1 432.530 5.416 50 0 IKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000002917907 555863090 /nfs/dbraw/zinc/86/30/90/555863090.db2.gz LMDQPAJOZJBVBM-BJKOFHAPSA-N 1 1 442.906 5.153 50 0 IKAAMO Cc1ccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc(F)c3F)CC2)cc1 ZINC000034726116 555882158 /nfs/dbraw/zinc/88/21/58/555882158.db2.gz WUABZUHYFCZYRD-UHFFFAOYSA-N 1 1 449.545 5.286 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740319 555883309 /nfs/dbraw/zinc/88/33/09/555883309.db2.gz AWVONRIQQGFJOA-ISKFKSNPSA-N 1 1 428.642 5.113 50 0 IKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3cccc(F)c3)C2)oc1C ZINC000034740455 555883629 /nfs/dbraw/zinc/88/36/29/555883629.db2.gz CPBCGTTWUREHCM-DHLKQENFSA-N 1 1 428.592 5.392 50 0 IKAAMO Cc1ccsc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@@H](CN(CC(C)C)C(=O)C(C)C)C1 ZINC000034740468 555883644 /nfs/dbraw/zinc/88/36/44/555883644.db2.gz QHFBKWCRDQTFGI-GGAORHGYSA-N 1 1 430.633 5.552 50 0 IKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@H]1CN(CC(C)C)C(=O)C(C)C ZINC000034740601 555884064 /nfs/dbraw/zinc/88/40/64/555884064.db2.gz VUAJCQXHVVSRPJ-WIOPSUGQSA-N 1 1 440.628 5.261 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)C3CCCC3)C(C)C)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034760544 555904140 /nfs/dbraw/zinc/90/41/40/555904140.db2.gz UGQGMBVZTJYOJV-DHLKQENFSA-N 1 1 426.576 5.370 50 0 IKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(Cl)cc2)cc1 ZINC000002714761 556130169 /nfs/dbraw/zinc/13/01/69/556130169.db2.gz VNGFPFAMOUANRR-UHFFFAOYSA-N 1 1 442.925 6.535 50 0 IKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccc(Cl)c2)cc1 ZINC000002714999 556130247 /nfs/dbraw/zinc/13/02/47/556130247.db2.gz DIIOQEVMNKNZNK-UHFFFAOYSA-N 1 1 445.353 7.006 50 0 IKAAMO Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002915343 556148794 /nfs/dbraw/zinc/14/87/94/556148794.db2.gz JYJZEMKRIHSWLE-DQEYMECFSA-N 1 1 440.934 5.761 50 0 IKAAMO Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002915346 556149053 /nfs/dbraw/zinc/14/90/53/556149053.db2.gz JYJZEMKRIHSWLE-JWQCQUIFSA-N 1 1 440.934 5.761 50 0 IKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(Cl)cc2)c1 ZINC000002974935 556152752 /nfs/dbraw/zinc/15/27/52/556152752.db2.gz PCZVIQJKEZHIKB-UHFFFAOYSA-N 1 1 438.962 6.704 50 0 IKAAMO Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000008829917 556225187 /nfs/dbraw/zinc/22/51/87/556225187.db2.gz KFNHMGQTOQVWQC-UHFFFAOYSA-N 1 1 448.994 5.235 50 0 IKAAMO CCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccccc2Br)cc1OC ZINC000022777548 556237231 /nfs/dbraw/zinc/23/72/31/556237231.db2.gz QWHCTNOFCVIMMU-LBPRGKRZSA-N 1 1 443.179 5.470 50 0 IKAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1OC1CCCC1 ZINC000009034247 556241926 /nfs/dbraw/zinc/24/19/26/556241926.db2.gz PALBNMBVMCQMAC-JOCHJYFZSA-N 1 1 436.596 5.300 50 0 IKAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccccc1Cl ZINC000009356187 556285083 /nfs/dbraw/zinc/28/50/83/556285083.db2.gz HAKSTJVBPGRNDJ-UHFFFAOYSA-N 1 1 436.733 5.573 50 0 IKAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000013845278 556318847 /nfs/dbraw/zinc/31/88/47/556318847.db2.gz PMTPRWKFDZDBSC-UHFFFAOYSA-N 1 1 436.733 5.573 50 0 IKAAMO Cc1c(Cl)cccc1NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013880269 556325682 /nfs/dbraw/zinc/32/56/82/556325682.db2.gz ZOPQAWKSNZSXHV-UHFFFAOYSA-N 1 1 436.024 5.752 50 0 IKAAMO COc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC000011667530 556346452 /nfs/dbraw/zinc/34/64/52/556346452.db2.gz GRYUSYZQBPFXIX-JOCHJYFZSA-N 1 1 425.592 5.276 50 0 IKAAMO COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC000011667525 556346490 /nfs/dbraw/zinc/34/64/90/556346490.db2.gz GRYUSYZQBPFXIX-QFIPXVFZSA-N 1 1 425.592 5.276 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)c(C)c1 ZINC000011753534 556348897 /nfs/dbraw/zinc/34/88/97/556348897.db2.gz FMRJTABDCCPCDD-SFHVURJKSA-N 1 1 434.502 5.653 50 0 IKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](CC[C@@H](C)c2ccccc2)C3)c1OC ZINC000011815670 556358619 /nfs/dbraw/zinc/35/86/19/556358619.db2.gz JVUTYFVODYYMPZ-HXUWFJFHSA-N 1 1 447.575 5.768 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](COc4ccc(F)cc4)C3)c(C)o2)c(OC)c1 ZINC000011816838 556359521 /nfs/dbraw/zinc/35/95/21/556359521.db2.gz KLQSEJKEUNSWFO-GOSISDBHSA-N 1 1 440.515 5.097 50 0 IKAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000011817443 556360160 /nfs/dbraw/zinc/36/01/60/556360160.db2.gz VNBLOCYIQHEWQR-UHFFFAOYSA-N 1 1 425.536 5.100 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000011822112 556363400 /nfs/dbraw/zinc/36/34/00/556363400.db2.gz ZRODOPSSDNYMBX-GOSISDBHSA-N 1 1 439.943 5.414 50 0 IKAAMO CCCn1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)c1C ZINC000011842703 556365889 /nfs/dbraw/zinc/36/58/89/556365889.db2.gz DYQBWWMEEZQGHA-JOCHJYFZSA-N 1 1 446.595 5.128 50 0 IKAAMO O=C(CCCCc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011874089 556370203 /nfs/dbraw/zinc/37/02/03/556370203.db2.gz DHDGZIHOJSFZTO-HHHXNRCGSA-N 1 1 447.667 5.868 50 0 IKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000014142361 556377615 /nfs/dbraw/zinc/37/76/15/556377615.db2.gz MPTXVOXIWWWTQZ-VWLOTQADSA-N 1 1 441.556 5.318 50 0 IKAAMO O=C(CCCc1ccccc1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011937064 556379200 /nfs/dbraw/zinc/37/92/00/556379200.db2.gz XMGZMLYRFJPZQI-SANMLTNESA-N 1 1 433.640 5.478 50 0 IKAAMO OC[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)cs2)C1 ZINC000011949054 556380448 /nfs/dbraw/zinc/38/04/48/556380448.db2.gz LRWVCSHHXZZASV-QHCPKHFHSA-N 1 1 430.976 5.420 50 0 IKAAMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2Cc2cccc(C(F)(F)F)c2)C1 ZINC000012042275 556391523 /nfs/dbraw/zinc/39/15/23/556391523.db2.gz MVCBYXXLBOAENG-HEMBGHPDSA-N 1 1 442.525 5.622 50 0 IKAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC000012073778 556396490 /nfs/dbraw/zinc/39/64/90/556396490.db2.gz ZTHWJPDFMWKJNG-INIZCTEOSA-N 1 1 438.515 5.600 50 0 IKAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)cs1 ZINC000012073778 556396491 /nfs/dbraw/zinc/39/64/91/556396491.db2.gz ZTHWJPDFMWKJNG-INIZCTEOSA-N 1 1 438.515 5.600 50 0 IKAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622151 556409367 /nfs/dbraw/zinc/40/93/67/556409367.db2.gz APIMFPSTLHMYFS-HXUWFJFHSA-N 1 1 430.335 5.215 50 0 IKAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622406 556409971 /nfs/dbraw/zinc/40/99/71/556409971.db2.gz SYPZISQAQHKJLN-FQEVSTJZSA-N 1 1 430.335 5.215 50 0 IKAAMO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@H+](C)Cc3ccc(OC)c(OC)c3)ccc21 ZINC000013058446 556449790 /nfs/dbraw/zinc/44/97/90/556449790.db2.gz ZEVUUZDAQJTGCC-GOSISDBHSA-N 1 1 445.563 5.291 50 0 IKAAMO CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N@@H+](C)Cc3ccc(OC)c(OC)c3)ccc21 ZINC000013058446 556449795 /nfs/dbraw/zinc/44/97/95/556449795.db2.gz ZEVUUZDAQJTGCC-GOSISDBHSA-N 1 1 445.563 5.291 50 0 IKAAMO C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)[C@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 ZINC000014879933 556453204 /nfs/dbraw/zinc/45/32/04/556453204.db2.gz BUJNNSLAQOJDTF-HNUKHCCRSA-N 1 1 430.583 5.384 50 0 IKAAMO Clc1ccccc1-c1nc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)cs1 ZINC000013076081 556455705 /nfs/dbraw/zinc/45/57/05/556455705.db2.gz ZJMWKJAHUBVCSO-UHFFFAOYSA-N 1 1 426.010 6.453 50 0 IKAAMO Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000013100496 556459767 /nfs/dbraw/zinc/45/97/67/556459767.db2.gz RUPZSTCFSRLFMD-SANMLTNESA-N 1 1 439.559 6.004 50 0 IKAAMO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000013112736 556465500 /nfs/dbraw/zinc/46/55/00/556465500.db2.gz MBTLCFZQOJYVPP-JOCHJYFZSA-N 1 1 449.576 5.175 50 0 IKAAMO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000013112736 556465503 /nfs/dbraw/zinc/46/55/03/556465503.db2.gz MBTLCFZQOJYVPP-JOCHJYFZSA-N 1 1 449.576 5.175 50 0 IKAAMO FC(F)(F)c1cccc(Cc2noc(C[N@@H+]3CCCC[C@@H]3CCc3ccccn3)n2)c1 ZINC000015064453 556491716 /nfs/dbraw/zinc/49/17/16/556491716.db2.gz FYGPCVMMIZSISI-HXUWFJFHSA-N 1 1 430.474 5.062 50 0 IKAAMO FC(F)(F)c1cccc(Cc2noc(C[N@H+]3CCCC[C@@H]3CCc3ccccn3)n2)c1 ZINC000015064453 556491719 /nfs/dbraw/zinc/49/17/19/556491719.db2.gz FYGPCVMMIZSISI-HXUWFJFHSA-N 1 1 430.474 5.062 50 0 IKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000015074475 556498439 /nfs/dbraw/zinc/49/84/39/556498439.db2.gz HJUZEHGIRRBMNS-UHFFFAOYSA-N 1 1 426.442 5.487 50 0 IKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000015074475 556498440 /nfs/dbraw/zinc/49/84/40/556498440.db2.gz HJUZEHGIRRBMNS-UHFFFAOYSA-N 1 1 426.442 5.487 50 0 IKAAMO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000072294853 556514680 /nfs/dbraw/zinc/51/46/80/556514680.db2.gz MCJLBIKREMNEHK-AFAVFJNCSA-N 1 1 425.413 5.037 50 0 IKAAMO Cc1ccc(C[N@H+](CCc2ccccc2)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)s1 ZINC000015523013 556533070 /nfs/dbraw/zinc/53/30/70/556533070.db2.gz MNORDRXJQFCHPV-UHFFFAOYSA-N 1 1 435.618 5.088 50 0 IKAAMO Cc1ccc(C[N@@H+](CCc2ccccc2)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)s1 ZINC000015523013 556533074 /nfs/dbraw/zinc/53/30/74/556533074.db2.gz MNORDRXJQFCHPV-UHFFFAOYSA-N 1 1 435.618 5.088 50 0 IKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000015906416 556562782 /nfs/dbraw/zinc/56/27/82/556562782.db2.gz IBNCSKDJHIAUMN-GHTZIAJQSA-N 1 1 433.379 5.295 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000015946363 556567345 /nfs/dbraw/zinc/56/73/45/556567345.db2.gz YOQMTSMSLAIEBI-HSZRJFAPSA-N 1 1 433.577 5.523 50 0 IKAAMO C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000015946893 556567763 /nfs/dbraw/zinc/56/77/63/556567763.db2.gz WHUDWKMLMXDFHW-HOTGVXAUSA-N 1 1 443.588 5.077 50 0 IKAAMO C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000015946893 556567764 /nfs/dbraw/zinc/56/77/64/556567764.db2.gz WHUDWKMLMXDFHW-HOTGVXAUSA-N 1 1 443.588 5.077 50 0 IKAAMO C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000015946891 556567788 /nfs/dbraw/zinc/56/77/88/556567788.db2.gz WHUDWKMLMXDFHW-CVEARBPZSA-N 1 1 443.588 5.077 50 0 IKAAMO C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000015946891 556567789 /nfs/dbraw/zinc/56/77/89/556567789.db2.gz WHUDWKMLMXDFHW-CVEARBPZSA-N 1 1 443.588 5.077 50 0 IKAAMO O=C1N[C@@H](c2cccc(Cl)c2Cl)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947386 556567955 /nfs/dbraw/zinc/56/79/55/556567955.db2.gz BEMVIGTVOXRBLJ-HXUWFJFHSA-N 1 1 444.387 6.042 50 0 IKAAMO O=C1N[C@@H](c2cccc(Cl)c2Cl)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947386 556567958 /nfs/dbraw/zinc/56/79/58/556567958.db2.gz BEMVIGTVOXRBLJ-HXUWFJFHSA-N 1 1 444.387 6.042 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947311 556568084 /nfs/dbraw/zinc/56/80/84/556568084.db2.gz ZJOVISRHJIDLBY-LJQANCHMSA-N 1 1 448.375 6.122 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 ZINC000015947309 556568134 /nfs/dbraw/zinc/56/81/34/556568134.db2.gz ZJOVISRHJIDLBY-IBGZPJMESA-N 1 1 448.375 6.122 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C)cc4)cc2)N3)C1 ZINC000015947410 556568336 /nfs/dbraw/zinc/56/83/36/556568336.db2.gz NCRSCDSWXAYGHR-QFIPXVFZSA-N 1 1 447.560 5.083 50 0 IKAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)C1 ZINC000022077678 556577901 /nfs/dbraw/zinc/57/79/01/556577901.db2.gz GTLYIXATMVSPGU-OAQYLSRUSA-N 1 1 434.580 5.497 50 0 IKAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000032974934 556596828 /nfs/dbraw/zinc/59/68/28/556596828.db2.gz BYRMJGIRFXVSEL-QHCPKHFHSA-N 1 1 444.623 5.161 50 0 IKAAMO COc1ccccc1[C@H](Nc1cccc(C)[nH+]1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546922 556613742 /nfs/dbraw/zinc/61/37/42/556613742.db2.gz DEQHHHBVSVIHQZ-QFIPXVFZSA-N 1 1 433.533 5.815 50 0 IKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546934 556613985 /nfs/dbraw/zinc/61/39/85/556613985.db2.gz GCDZIEGBQABOQP-NRFANRHFSA-N 1 1 437.952 6.460 50 0 IKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551001 556614268 /nfs/dbraw/zinc/61/42/68/556614268.db2.gz LRQKFHQBOACSNQ-HSZRJFAPSA-N 1 1 431.536 6.353 50 0 IKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000038551017 556614562 /nfs/dbraw/zinc/61/45/62/556614562.db2.gz MXMOHRMARIKQKW-HSZRJFAPSA-N 1 1 431.536 6.353 50 0 IKAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(F)c1 ZINC000016671573 556621558 /nfs/dbraw/zinc/62/15/58/556621558.db2.gz IDTROOXJTQUDBU-VBIRRTOMSA-N 1 1 433.523 5.512 50 0 IKAAMO COc1ccccc1/C=C/C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(F)c1 ZINC000016671573 556621560 /nfs/dbraw/zinc/62/15/60/556621560.db2.gz IDTROOXJTQUDBU-VBIRRTOMSA-N 1 1 433.523 5.512 50 0 IKAAMO COc1cc2c(cc1C[NH+]1CCN(c3cccc(Cl)c3)CC1)oc(C)c2-c1ccccc1 ZINC000016677711 556622658 /nfs/dbraw/zinc/62/26/58/556622658.db2.gz RVIFMSQWVBNQGT-UHFFFAOYSA-N 1 1 446.978 6.392 50 0 IKAAMO COc1cc2c(cc1C[NH+]1CCN(c3ccccc3F)CC1)oc(C)c2-c1ccccc1 ZINC000016677709 556622679 /nfs/dbraw/zinc/62/26/79/556622679.db2.gz HPRLIYDHQRSFBD-UHFFFAOYSA-N 1 1 430.523 5.878 50 0 IKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)c(C)o2)cc1 ZINC000005056131 556628061 /nfs/dbraw/zinc/62/80/61/556628061.db2.gz IWZXIILEZCMESX-XMMPIXPASA-N 1 1 435.612 5.431 50 0 IKAAMO CCOc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)ccc1OC ZINC000042925969 556660099 /nfs/dbraw/zinc/66/00/99/556660099.db2.gz PQDMCVRJXOYHHA-QGZVFWFLSA-N 1 1 427.495 5.142 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248081812 556661097 /nfs/dbraw/zinc/66/10/97/556661097.db2.gz JTQNFLGWCQNANH-AZGAKELHSA-N 1 1 432.633 5.823 50 0 IKAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000043125056 556661226 /nfs/dbraw/zinc/66/12/26/556661226.db2.gz QQJULMBGCKMTGL-KRWDZBQOSA-N 1 1 441.959 5.136 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248120866 556665024 /nfs/dbraw/zinc/66/50/24/556665024.db2.gz XPMZOHXHEZSRQC-BKMJKUGQSA-N 1 1 433.571 5.229 50 0 IKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3cccn3C)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000248136229 556668929 /nfs/dbraw/zinc/66/89/29/556668929.db2.gz OTBQZSDHSBFOAD-BDYUSTAISA-N 1 1 429.608 5.100 50 0 IKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000248236235 556676764 /nfs/dbraw/zinc/67/67/64/556676764.db2.gz MTFSYEJGJHCSJB-OZXSUGGESA-N 1 1 445.582 5.235 50 0 IKAAMO COc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1OC ZINC000055254225 556738954 /nfs/dbraw/zinc/73/89/54/556738954.db2.gz XWQOTDKUAALVKE-XMMPIXPASA-N 1 1 437.628 5.146 50 0 IKAAMO COc1cc2c(cc1C[NH+]1CCN(c3cc(C)ccc3C)CC1)oc(C)c2-c1ccccc1 ZINC000055447588 556741618 /nfs/dbraw/zinc/74/16/18/556741618.db2.gz ALXMQQRDKNICHE-UHFFFAOYSA-N 1 1 440.587 6.356 50 0 IKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000055545163 556741957 /nfs/dbraw/zinc/74/19/57/556741957.db2.gz SGFAOKJALQCROS-UHFFFAOYSA-N 1 1 445.582 5.698 50 0 IKAAMO O=C(CCN1CC[N@H+]2CCCC[C@H]2C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000019362821 556745700 /nfs/dbraw/zinc/74/57/00/556745700.db2.gz UDGRQZRWGPZOAJ-SFHVURJKSA-N 1 1 428.001 5.030 50 0 IKAAMO Cc1c(C(=O)CN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c2ccccc2n1C ZINC000019371924 556748607 /nfs/dbraw/zinc/74/86/07/556748607.db2.gz QIALPFNRTLNBOX-UHFFFAOYSA-N 1 1 435.571 5.057 50 0 IKAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CC=C(c3ccccc3)CC2)cc1Cl ZINC000058219023 556773295 /nfs/dbraw/zinc/77/32/95/556773295.db2.gz ODRMWOHSTVNXOY-RUZDIDTESA-N 1 1 432.951 5.818 50 0 IKAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CC=C(c3ccccc3)CC2)cc1Cl ZINC000058219023 556773296 /nfs/dbraw/zinc/77/32/96/556773296.db2.gz ODRMWOHSTVNXOY-RUZDIDTESA-N 1 1 432.951 5.818 50 0 IKAAMO Cc1nn2c(nc(C[N@H+](Cc3c(F)cccc3Cl)[C@@H]3CCC[C@H](C)[C@@H]3C)cc2=O)s1 ZINC000058248481 556775845 /nfs/dbraw/zinc/77/58/45/556775845.db2.gz NBVDQWMITURYPV-PJSUUKDQSA-N 1 1 448.995 5.079 50 0 IKAAMO Cc1nn2c(nc(C[N@@H+](Cc3c(F)cccc3Cl)[C@@H]3CCC[C@H](C)[C@@H]3C)cc2=O)s1 ZINC000058248481 556775848 /nfs/dbraw/zinc/77/58/48/556775848.db2.gz NBVDQWMITURYPV-PJSUUKDQSA-N 1 1 448.995 5.079 50 0 IKAAMO Clc1ccc2oc(C3CC[NH+](Cc4cn5cc(Br)ccc5n4)CC3)nc2c1 ZINC000058378377 556784311 /nfs/dbraw/zinc/78/43/11/556784311.db2.gz LUANJVGPMUWKDT-UHFFFAOYSA-N 1 1 445.748 5.271 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1C ZINC000019535704 556793944 /nfs/dbraw/zinc/79/39/44/556793944.db2.gz AQCOFQOCPBRBRE-UHFFFAOYSA-N 1 1 430.552 5.402 50 0 IKAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1C ZINC000019535704 556793945 /nfs/dbraw/zinc/79/39/45/556793945.db2.gz AQCOFQOCPBRBRE-UHFFFAOYSA-N 1 1 430.552 5.402 50 0 IKAAMO CC(C)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068921 556836180 /nfs/dbraw/zinc/83/61/80/556836180.db2.gz AQOOWTPIKCNRNE-UHFFFAOYSA-N 1 1 437.996 5.735 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033069032 556839537 /nfs/dbraw/zinc/83/95/37/556839537.db2.gz IQWZBFAXISNYRI-UHFFFAOYSA-N 1 1 449.595 6.098 50 0 IKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000004675742 556872418 /nfs/dbraw/zinc/87/24/18/556872418.db2.gz LFMHVBJJYSRTHG-UHFFFAOYSA-N 1 1 433.596 5.542 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000004675852 556872445 /nfs/dbraw/zinc/87/24/45/556872445.db2.gz KHSSZKQIUQCZAX-QHCPKHFHSA-N 1 1 429.608 5.903 50 0 IKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000019732675 556876862 /nfs/dbraw/zinc/87/68/62/556876862.db2.gz LAOABSDSDXASJZ-HHHXNRCGSA-N 1 1 435.995 6.628 50 0 IKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000019732675 556876865 /nfs/dbraw/zinc/87/68/65/556876865.db2.gz LAOABSDSDXASJZ-HHHXNRCGSA-N 1 1 435.995 6.628 50 0 IKAAMO CC[N@@H+](CCCC[C@@]1(c2ccccc2)c2ccccc2N(N(C)C)C1=O)Cc1ccccc1 ZINC000071767309 556887528 /nfs/dbraw/zinc/88/75/28/556887528.db2.gz YFZFZPFFJRSSNM-GDLZYMKVSA-N 1 1 441.619 5.488 50 0 IKAAMO CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2Nc2ccnc3c2cccc3C(F)(F)F)C1 ZINC000071770914 556888057 /nfs/dbraw/zinc/88/80/57/556888057.db2.gz UHAUAYGYPVRSST-INIZCTEOSA-N 1 1 442.485 5.211 50 0 IKAAMO CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000019792376 556915673 /nfs/dbraw/zinc/91/56/73/556915673.db2.gz CHQDLAZWFIKCMO-UHFFFAOYSA-N 1 1 447.629 5.426 50 0 IKAAMO CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000019792376 556915676 /nfs/dbraw/zinc/91/56/76/556915676.db2.gz CHQDLAZWFIKCMO-UHFFFAOYSA-N 1 1 447.629 5.426 50 0 IKAAMO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019808872 556918486 /nfs/dbraw/zinc/91/84/86/556918486.db2.gz WJZJPXVHFDBUDQ-FQEVSTJZSA-N 1 1 441.575 5.026 50 0 IKAAMO CCC(C)(C)c1ccc(OCCCC(=O)NCCC[NH+]2CCOCC2)c(C(C)(C)CC)c1 ZINC000019832008 556927138 /nfs/dbraw/zinc/92/71/38/556927138.db2.gz LKOLRZFAMABJAY-UHFFFAOYSA-N 1 1 446.676 5.059 50 0 IKAAMO O=C(NCc1ccc(Cl)cc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019850256 556930703 /nfs/dbraw/zinc/93/07/03/556930703.db2.gz FZGDHIQRAHPRAY-UHFFFAOYSA-N 1 1 425.359 5.482 50 0 IKAAMO Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c(Cl)c1 ZINC000019892147 556939777 /nfs/dbraw/zinc/93/97/77/556939777.db2.gz PNEVKSZDOBTZKD-XZOQPEGZSA-N 1 1 447.325 5.798 50 0 IKAAMO COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)N1NC=NC1=[NH+]2 ZINC000019892164 556939878 /nfs/dbraw/zinc/93/98/78/556939878.db2.gz IOTSMFPFDZENLI-ZEQRLZLVSA-N 1 1 442.906 5.153 50 0 IKAAMO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)N1NC=NC1=[NH+]2 ZINC000019892161 556939899 /nfs/dbraw/zinc/93/98/99/556939899.db2.gz IOTSMFPFDZENLI-DNQXCXABSA-N 1 1 442.906 5.153 50 0 IKAAMO O=C(Cc1ccc(-c2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019990012 556956791 /nfs/dbraw/zinc/95/67/91/556956791.db2.gz UEHTULBMIXOWSW-UHFFFAOYSA-N 1 1 446.594 5.830 50 0 IKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020033369 556969430 /nfs/dbraw/zinc/96/94/30/556969430.db2.gz GDYIERLYIWJAAX-UHFFFAOYSA-N 1 1 447.629 5.508 50 0 IKAAMO CCC[N@H+]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020033369 556969433 /nfs/dbraw/zinc/96/94/33/556969433.db2.gz GDYIERLYIWJAAX-UHFFFAOYSA-N 1 1 447.629 5.508 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC000020208173 556998347 /nfs/dbraw/zinc/99/83/47/556998347.db2.gz GVBCOOOEUMHINK-HXUWFJFHSA-N 1 1 436.499 5.676 50 0 IKAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000020210170 556998589 /nfs/dbraw/zinc/99/85/89/556998589.db2.gz GRZJBKIQVYSHKH-CYBMUJFWSA-N 1 1 431.870 5.117 50 0 IKAAMO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@H+]2Cc2ccc3c(c2)CCO3)cc1 ZINC000020432023 557016599 /nfs/dbraw/zinc/01/65/99/557016599.db2.gz ZJAGZDMDUITZRK-JOCHJYFZSA-N 1 1 431.479 5.729 50 0 IKAAMO FC(F)(F)Oc1ccc([C@@H]2c3ccsc3CC[N@@H+]2Cc2ccc3c(c2)CCO3)cc1 ZINC000020432023 557016602 /nfs/dbraw/zinc/01/66/02/557016602.db2.gz ZJAGZDMDUITZRK-JOCHJYFZSA-N 1 1 431.479 5.729 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2OC)c(NC(=O)c2ccco2)s1 ZINC000043220755 557022829 /nfs/dbraw/zinc/02/28/29/557022829.db2.gz FUSHKWNRXGDDCF-HSZRJFAPSA-N 1 1 447.560 6.069 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288775 557045779 /nfs/dbraw/zinc/04/57/79/557045779.db2.gz GBHHXKRFQRHGFO-UHFFFAOYSA-N 1 1 449.601 5.420 50 0 IKAAMO CC[N@H+]1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288775 557045780 /nfs/dbraw/zinc/04/57/80/557045780.db2.gz GBHHXKRFQRHGFO-UHFFFAOYSA-N 1 1 449.601 5.420 50 0 IKAAMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000022936841 557053053 /nfs/dbraw/zinc/05/30/53/557053053.db2.gz BANBPNNLXARKHO-LJQANCHMSA-N 1 1 437.809 5.255 50 0 IKAAMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000022936841 557053054 /nfs/dbraw/zinc/05/30/54/557053054.db2.gz BANBPNNLXARKHO-LJQANCHMSA-N 1 1 437.809 5.255 50 0 IKAAMO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000017312411 557055860 /nfs/dbraw/zinc/05/58/60/557055860.db2.gz GEBSWFFEUBOHOQ-CQSZACIVSA-N 1 1 433.766 6.750 50 0 IKAAMO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1Cl ZINC000017312413 557056040 /nfs/dbraw/zinc/05/60/40/557056040.db2.gz GEBSWFFEUBOHOQ-AWEZNQCLSA-N 1 1 433.766 6.750 50 0 IKAAMO COc1ccc(CN(C)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000048332142 557069756 /nfs/dbraw/zinc/06/97/56/557069756.db2.gz IVERMOUXOYLCLK-UHFFFAOYSA-N 1 1 425.573 5.132 50 0 IKAAMO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(C)ccc1C ZINC000004752798 557077921 /nfs/dbraw/zinc/07/79/21/557077921.db2.gz VDVCGMHTTRDQPJ-UHFFFAOYSA-N 1 1 432.608 5.688 50 0 IKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1ccccc1I)C1CCCCC1 ZINC000023352502 557086345 /nfs/dbraw/zinc/08/63/45/557086345.db2.gz VJCDGYJZFXKYRT-UHFFFAOYSA-N 1 1 448.348 5.308 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nc(N2CCCC2)[nH+]1 ZINC000049028120 557088248 /nfs/dbraw/zinc/08/82/48/557088248.db2.gz FQLYKCUBVLFHEW-UHFFFAOYSA-N 1 1 441.457 5.400 50 0 IKAAMO COc1ccccc1Nc1ncc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000004760923 557091986 /nfs/dbraw/zinc/09/19/86/557091986.db2.gz YFWSXVJQOHMMNY-BGYRXZFFSA-N 1 1 446.595 5.085 50 0 IKAAMO Cc1nc(NC2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)[nH+]1 ZINC000033326748 557108606 /nfs/dbraw/zinc/10/86/06/557108606.db2.gz BMHYJQZTIKVSRO-UHFFFAOYSA-N 1 1 434.519 6.056 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(NC2CCCCC2)[nH+]1 ZINC000033326748 557108610 /nfs/dbraw/zinc/10/86/10/557108610.db2.gz BMHYJQZTIKVSRO-UHFFFAOYSA-N 1 1 434.519 6.056 50 0 IKAAMO COc1ccccc1-c1nn(Cc2ccccc2)cc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000023907981 557124842 /nfs/dbraw/zinc/12/48/42/557124842.db2.gz VREWXNVPLUQFSI-UHFFFAOYSA-N 1 1 432.612 5.006 50 0 IKAAMO CCSC[C@@H]1CCC[N@H+]1C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000206792633 557163699 /nfs/dbraw/zinc/16/36/99/557163699.db2.gz XPILJYWQYIYPSA-DEOSSOPVSA-N 1 1 437.653 5.168 50 0 IKAAMO C[N@H+](CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000025393140 557207597 /nfs/dbraw/zinc/20/75/97/557207597.db2.gz GLLHTZZXMONJPB-NDEPHWFRSA-N 1 1 433.555 5.650 50 0 IKAAMO C[N@@H+](CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)Cc1ccccc1 ZINC000025393140 557207604 /nfs/dbraw/zinc/20/76/04/557207604.db2.gz GLLHTZZXMONJPB-NDEPHWFRSA-N 1 1 433.555 5.650 50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(Cl)c2)cc1 ZINC000025783739 557226216 /nfs/dbraw/zinc/22/62/16/557226216.db2.gz YKVKICAZLCIFEB-XZOQPEGZSA-N 1 1 430.870 5.283 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000018209719 557251923 /nfs/dbraw/zinc/25/19/23/557251923.db2.gz KBLAWJVQNXOOKK-BGYRXZFFSA-N 1 1 426.564 5.969 50 0 IKAAMO CC(C)Oc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)c1 ZINC000012843145 557262308 /nfs/dbraw/zinc/26/23/08/557262308.db2.gz NVZKNLOPQJSYMX-UHFFFAOYSA-N 1 1 447.554 5.187 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)no2)cc1 ZINC000027580987 557266426 /nfs/dbraw/zinc/26/64/26/557266426.db2.gz UHISRIVCZUYIQV-UHFFFAOYSA-N 1 1 437.543 5.197 50 0 IKAAMO CC(C)C[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(F)c1F ZINC000033693563 557348092 /nfs/dbraw/zinc/34/80/92/557348092.db2.gz BWVZJJSAIHTGIM-UHFFFAOYSA-N 1 1 436.468 6.492 50 0 IKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cccc(F)c1F ZINC000033693563 557348096 /nfs/dbraw/zinc/34/80/96/557348096.db2.gz BWVZJJSAIHTGIM-UHFFFAOYSA-N 1 1 436.468 6.492 50 0 IKAAMO CCCN1CCC([NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccc(OCC)c(OC)c2)CC1 ZINC000023907689 557379010 /nfs/dbraw/zinc/37/90/10/557379010.db2.gz DAVPHXFNNZNKLC-QHCPKHFHSA-N 1 1 435.612 5.171 50 0 IKAAMO Cc1ccc(C)c(C[N@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)CC(C)C)c1 ZINC000004893686 557401848 /nfs/dbraw/zinc/40/18/48/557401848.db2.gz SJECTAKCDLDRLH-DEOSSOPVSA-N 1 1 431.045 5.689 50 0 IKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc(Nc2cc(C)cc(C)c2)nc2ccccc21 ZINC000004911395 557403584 /nfs/dbraw/zinc/40/35/84/557403584.db2.gz DJLRMBQISVDGGW-UHFFFAOYSA-N 1 1 432.612 5.837 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105042456 557473553 /nfs/dbraw/zinc/47/35/53/557473553.db2.gz IDYBSXZMTOQFNX-LBNVMWSVSA-N 1 1 444.594 5.901 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3sccc3C)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105050452 557473800 /nfs/dbraw/zinc/47/38/00/557473800.db2.gz REBILFASLJNVIA-ISKFKSNPSA-N 1 1 442.669 5.421 50 0 IKAAMO C[N@H+]1C[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@H](c2ccccc2)C1 ZINC000106343173 557528278 /nfs/dbraw/zinc/52/82/78/557528278.db2.gz GDBDLBPXGKPWAX-VXKWHMMOSA-N 1 1 426.343 6.314 50 0 IKAAMO C[C@@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@]1(C)[NH+]1CCCC1)OCO3 ZINC000106341925 557528287 /nfs/dbraw/zinc/52/82/87/557528287.db2.gz USEVJXUDAHBZHA-ZLUZWTFRSA-N 1 1 430.342 5.150 50 0 IKAAMO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 ZINC000106916151 557533582 /nfs/dbraw/zinc/53/35/82/557533582.db2.gz MCJLBIKREMNEHK-OAUYIBNBSA-N 1 1 425.413 5.037 50 0 IKAAMO COc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547548 557591908 /nfs/dbraw/zinc/59/19/08/557591908.db2.gz MHMMWKPVCFEYNG-HSZRJFAPSA-N 1 1 447.560 6.124 50 0 IKAAMO COc1ccc(NC(=O)[C@H]2CC[C@@H](c3ccccc3)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669834 557848148 /nfs/dbraw/zinc/84/81/48/557848148.db2.gz PYMSULKAMRDHTH-NVQXNPDNSA-N 1 1 430.548 5.296 50 0 IKAAMO COc1ccc(NC(=O)[C@@H]2CC[C@@H](c3ccccc3)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000034669831 557848190 /nfs/dbraw/zinc/84/81/90/557848190.db2.gz PYMSULKAMRDHTH-GJZUVCINSA-N 1 1 430.548 5.296 50 0 IKAAMO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000003205704 562932687 /nfs/dbraw/zinc/93/26/87/562932687.db2.gz XIRMZNKBAGVWMK-DEOSSOPVSA-N 1 1 442.386 5.519 50 0 IKAAMO CCOc1ccccc1NC(=O)N[C@H](CC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000008590212 562951559 /nfs/dbraw/zinc/95/15/59/562951559.db2.gz TYDRVVYALGVBST-GOSISDBHSA-N 1 1 438.597 5.198 50 0 IKAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 ZINC000008606709 562957137 /nfs/dbraw/zinc/95/71/37/562957137.db2.gz DGLPBXUTFSJKRO-UHFFFAOYSA-N 1 1 448.611 5.357 50 0 IKAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000008680384 562961494 /nfs/dbraw/zinc/96/14/94/562961494.db2.gz JNHUBBLEJHRNQW-XMMPIXPASA-N 1 1 447.554 5.195 50 0 IKAAMO Clc1ccc2nc(-c3ccc(OCCC[NH+]4CCN(c5ccccc5)CC4)cc3)[nH]c2c1 ZINC000020101927 563023618 /nfs/dbraw/zinc/02/36/18/563023618.db2.gz SGXRQWSQRWSZTI-UHFFFAOYSA-N 1 1 446.982 5.474 50 0 IKAAMO Fc1ccc([C@@H]([NH2+]CCc2ccc(Cl)cc2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178249 563023875 /nfs/dbraw/zinc/02/38/75/563023875.db2.gz BWHZLWDRAYGMFV-OAQYLSRUSA-N 1 1 442.321 6.104 50 0 IKAAMO C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013100898 568624858 /nfs/dbraw/zinc/62/48/58/568624858.db2.gz YVMWNDCPJMVOFO-WOJBJXKFSA-N 1 1 448.636 5.493 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000969897 568647287 /nfs/dbraw/zinc/64/72/87/568647287.db2.gz UGBBWRMDBUNWAC-DNQXCXABSA-N 1 1 444.897 5.592 50 0 IKAAMO CCOC(=O)c1c(NC(=O)C[NH+]2CCCCCC2)sc(Cl)c1-c1ccc(C)cc1 ZINC000003270706 568744651 /nfs/dbraw/zinc/74/46/51/568744651.db2.gz UKPQHFIBAQSIDM-UHFFFAOYSA-N 1 1 434.989 5.368 50 0 IKAAMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)c1ccc(Cl)cc1 ZINC000043965034 568744786 /nfs/dbraw/zinc/74/47/86/568744786.db2.gz ASTJQGWCDYKJKV-UGKGYDQZSA-N 1 1 426.944 5.014 50 0 IKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)CCc1cn(Cc2ccccc2F)c2ccccc12 ZINC000015678370 568804785 /nfs/dbraw/zinc/80/47/85/568804785.db2.gz HQJZEVCWKAWIPL-SZPZYZBQSA-N 1 1 449.614 5.531 50 0 IKAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c2ccccc21 ZINC000015678415 568805135 /nfs/dbraw/zinc/80/51/35/568805135.db2.gz OWQGOLAKFNQKAQ-HSZRJFAPSA-N 1 1 431.624 5.311 50 0 IKAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c2ccccc21 ZINC000015678416 568805182 /nfs/dbraw/zinc/80/51/82/568805182.db2.gz OWQGOLAKFNQKAQ-QHCPKHFHSA-N 1 1 431.624 5.311 50 0 IKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000015680960 568806255 /nfs/dbraw/zinc/80/62/55/568806255.db2.gz PSIOWHLSELWHAC-KDURUIRLSA-N 1 1 443.035 5.313 50 0 IKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)c1 ZINC000001447676 568817679 /nfs/dbraw/zinc/81/76/79/568817679.db2.gz YUNPYYBGUNNWQR-UHFFFAOYSA-N 1 1 445.448 6.113 50 0 IKAAMO COc1ccc(-c2nc3ccccc3c(NC[C@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)n2)cc1 ZINC000015781624 568826010 /nfs/dbraw/zinc/82/60/10/568826010.db2.gz JHXIDWJAFFXEIN-JOCHJYFZSA-N 1 1 438.575 5.548 50 0 IKAAMO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@@H](Nc1cccc(C)[nH+]1)c1ccccn1 ZINC000015859759 568847808 /nfs/dbraw/zinc/84/78/08/568847808.db2.gz PLDTXWLOGRIVKL-VWLOTQADSA-N 1 1 437.503 5.622 50 0 IKAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)cc1OC ZINC000015862343 568848680 /nfs/dbraw/zinc/84/86/80/568848680.db2.gz PVXMMCDHABBGIL-UHFFFAOYSA-N 1 1 442.559 5.365 50 0 IKAAMO Fc1ccc(C[N@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C2CCCCC2)cc1 ZINC000026636584 568904861 /nfs/dbraw/zinc/90/48/61/568904861.db2.gz YZMRNOCPXRKSBW-UHFFFAOYSA-N 1 1 437.588 5.742 50 0 IKAAMO Fc1ccc(C[N@@H+](Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C2CCCCC2)cc1 ZINC000026636584 568904864 /nfs/dbraw/zinc/90/48/64/568904864.db2.gz YZMRNOCPXRKSBW-UHFFFAOYSA-N 1 1 437.588 5.742 50 0 IKAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1ccc(Cl)cc1 ZINC000036069064 568945526 /nfs/dbraw/zinc/94/55/26/568945526.db2.gz JFMTYOVMAGHEHH-KRWDZBQOSA-N 1 1 443.950 5.444 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1ccc(Cl)cc1 ZINC000036069064 568945527 /nfs/dbraw/zinc/94/55/27/568945527.db2.gz JFMTYOVMAGHEHH-KRWDZBQOSA-N 1 1 443.950 5.444 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801384 568960916 /nfs/dbraw/zinc/96/09/16/568960916.db2.gz PNRHVHDFYCPDHW-UHFFFAOYSA-N 1 1 444.583 6.534 50 0 IKAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(C)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000064801203 568960941 /nfs/dbraw/zinc/96/09/41/568960941.db2.gz VZZOSIPSPRSSKK-UHFFFAOYSA-N 1 1 431.540 5.534 50 0 IKAAMO CCc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064801297 568960958 /nfs/dbraw/zinc/96/09/58/568960958.db2.gz JLVQJXJSNLUWSC-UHFFFAOYSA-N 1 1 430.556 5.725 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801674 568961520 /nfs/dbraw/zinc/96/15/20/568961520.db2.gz OLPDSCSUTMILRJ-UHFFFAOYSA-N 1 1 448.546 6.365 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801488 568961532 /nfs/dbraw/zinc/96/15/32/568961532.db2.gz PSYLABDTUYSBAJ-UHFFFAOYSA-N 1 1 436.947 5.816 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801495 568961593 /nfs/dbraw/zinc/96/15/93/568961593.db2.gz PBBQAZLOQGZUJT-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064801506 568961597 /nfs/dbraw/zinc/96/15/97/568961597.db2.gz DPRCDRMQYYXBST-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO O[C@@H](C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000036146242 568962274 /nfs/dbraw/zinc/96/22/74/568962274.db2.gz IFAYMVSPTMFJPH-OFVILXPXSA-N 1 1 438.930 5.208 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(C)s1 ZINC000036154601 568964663 /nfs/dbraw/zinc/96/46/63/568964663.db2.gz KZTUISGDRRQZTA-UHFFFAOYSA-N 1 1 431.601 6.346 50 0 IKAAMO CC(C)[N@H+](Cc1ccco1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036154586 568964695 /nfs/dbraw/zinc/96/46/95/568964695.db2.gz HKSFQCCLQCRGKU-UHFFFAOYSA-N 1 1 437.486 5.846 50 0 IKAAMO CC(C)[N@@H+](Cc1ccco1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000036154586 568964697 /nfs/dbraw/zinc/96/46/97/568964697.db2.gz HKSFQCCLQCRGKU-UHFFFAOYSA-N 1 1 437.486 5.846 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1OC ZINC000036167845 568968497 /nfs/dbraw/zinc/96/84/97/568968497.db2.gz XVXFLWAKOPKKOL-UHFFFAOYSA-N 1 1 441.571 5.985 50 0 IKAAMO CCC[N@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1F ZINC000036202247 568972419 /nfs/dbraw/zinc/97/24/19/568972419.db2.gz IFBMXMPBDQZKNX-UHFFFAOYSA-N 1 1 429.535 6.115 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccccc1F ZINC000036202247 568972420 /nfs/dbraw/zinc/97/24/20/568972420.db2.gz IFBMXMPBDQZKNX-UHFFFAOYSA-N 1 1 429.535 6.115 50 0 IKAAMO OC(c1ccc(C[N@H+](Cc2ccsc2)C2CC2)o1)(c1cccs1)c1cccs1 ZINC000036202890 568972517 /nfs/dbraw/zinc/97/25/17/568972517.db2.gz KPIMTUGUUOUXQK-UHFFFAOYSA-N 1 1 427.616 5.913 50 0 IKAAMO OC(c1ccc(C[N@@H+](Cc2ccsc2)C2CC2)o1)(c1cccs1)c1cccs1 ZINC000036202890 568972520 /nfs/dbraw/zinc/97/25/20/568972520.db2.gz KPIMTUGUUOUXQK-UHFFFAOYSA-N 1 1 427.616 5.913 50 0 IKAAMO Cc1ccc(F)c(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)c1 ZINC000169679929 568990621 /nfs/dbraw/zinc/99/06/21/568990621.db2.gz BFMPFGNAXIQXGE-ILBGXUMGSA-N 1 1 442.594 5.629 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302176 568993983 /nfs/dbraw/zinc/99/39/83/568993983.db2.gz QWGDRIVIWGVXPP-JOCHJYFZSA-N 1 1 437.584 5.355 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1 ZINC000036301822 568994048 /nfs/dbraw/zinc/99/40/48/568994048.db2.gz SNQPJPYBKFPKEF-QFIPXVFZSA-N 1 1 439.987 5.609 50 0 IKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@H](C)O ZINC000036301741 568994152 /nfs/dbraw/zinc/99/41/52/568994152.db2.gz AYOKWNUILLCMKY-SFHVURJKSA-N 1 1 427.976 5.465 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@@H](O)CC ZINC000036303786 568994192 /nfs/dbraw/zinc/99/41/92/568994192.db2.gz GBCBREMMUQBBOL-NRFANRHFSA-N 1 1 427.976 5.609 50 0 IKAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036304993 568994680 /nfs/dbraw/zinc/99/46/80/568994680.db2.gz KOAUZMZLSVZFIS-IBGZPJMESA-N 1 1 425.960 5.268 50 0 IKAAMO COc1ccc(Oc2c(C[N@@H+](C[C@@H](O)C(C)C)CC3CC3)c(C)nn2-c2ccccc2)cc1 ZINC000036304614 568994811 /nfs/dbraw/zinc/99/48/11/568994811.db2.gz ILQMEEHHFZBJFA-AREMUKBSSA-N 1 1 449.595 5.211 50 0 IKAAMO C[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)CC1CC1 ZINC000036305054 568994925 /nfs/dbraw/zinc/99/49/25/568994925.db2.gz PTQLWNUSDOPKFN-QGZVFWFLSA-N 1 1 425.960 5.126 50 0 IKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CC ZINC000036316471 568999773 /nfs/dbraw/zinc/99/97/73/568999773.db2.gz CGUCTVWBKNQQSH-FQEVSTJZSA-N 1 1 425.548 5.349 50 0 IKAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036341194 569079091 /nfs/dbraw/zinc/07/90/91/569079091.db2.gz LQBYMMUAWXIERS-VWLOTQADSA-N 1 1 447.966 5.158 50 0 IKAAMO COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036341194 569079093 /nfs/dbraw/zinc/07/90/93/569079093.db2.gz LQBYMMUAWXIERS-VWLOTQADSA-N 1 1 447.966 5.158 50 0 IKAAMO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036341001 569079133 /nfs/dbraw/zinc/07/91/33/569079133.db2.gz KDJUJWYPXKBBFA-JOCHJYFZSA-N 1 1 430.379 5.403 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342142 569079651 /nfs/dbraw/zinc/07/96/51/569079651.db2.gz QVDJKSKZNVBTDG-VWLOTQADSA-N 1 1 441.575 5.746 50 0 IKAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342142 569079652 /nfs/dbraw/zinc/07/96/52/569079652.db2.gz QVDJKSKZNVBTDG-VWLOTQADSA-N 1 1 441.575 5.746 50 0 IKAAMO CCOc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036344113 569080048 /nfs/dbraw/zinc/08/00/48/569080048.db2.gz RJGJRMPIMRJNAD-HHHXNRCGSA-N 1 1 441.575 5.203 50 0 IKAAMO CCOc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036344113 569080049 /nfs/dbraw/zinc/08/00/49/569080049.db2.gz RJGJRMPIMRJNAD-HHHXNRCGSA-N 1 1 441.575 5.203 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344780 569080290 /nfs/dbraw/zinc/08/02/90/569080290.db2.gz UNEBXUDDNWGOMX-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344780 569080291 /nfs/dbraw/zinc/08/02/91/569080291.db2.gz UNEBXUDDNWGOMX-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036344521 569080304 /nfs/dbraw/zinc/08/03/04/569080304.db2.gz AXMKCEUGZJJJAW-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036344521 569080305 /nfs/dbraw/zinc/08/03/05/569080305.db2.gz AXMKCEUGZJJJAW-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344994 569080492 /nfs/dbraw/zinc/08/04/92/569080492.db2.gz JDFKBVDUCHLALL-HHHXNRCGSA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c(C)c1 ZINC000036344994 569080493 /nfs/dbraw/zinc/08/04/93/569080493.db2.gz JDFKBVDUCHLALL-HHHXNRCGSA-N 1 1 425.576 5.422 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC(C)C ZINC000036345968 569080814 /nfs/dbraw/zinc/08/08/14/569080814.db2.gz LPRKPLQJBXWIAT-OAQYLSRUSA-N 1 1 425.548 5.341 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346056 569080820 /nfs/dbraw/zinc/08/08/20/569080820.db2.gz DAVJEDFZINCMAO-OAQYLSRUSA-N 1 1 425.548 5.485 50 0 IKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346043 569080827 /nfs/dbraw/zinc/08/08/27/569080827.db2.gz NIGOJVDDXKJGLD-QFIPXVFZSA-N 1 1 439.575 5.875 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036345882 569080927 /nfs/dbraw/zinc/08/09/27/569080927.db2.gz GJPIWIZRVLGGMV-XMMPIXPASA-N 1 1 449.595 5.032 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036345882 569080928 /nfs/dbraw/zinc/08/09/28/569080928.db2.gz GJPIWIZRVLGGMV-XMMPIXPASA-N 1 1 449.595 5.032 50 0 IKAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346200 569081104 /nfs/dbraw/zinc/08/11/04/569081104.db2.gz QUZJKKHHGAZCKG-NOZRDPDXSA-N 1 1 449.595 5.033 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000036346200 569081106 /nfs/dbraw/zinc/08/11/06/569081106.db2.gz QUZJKKHHGAZCKG-NOZRDPDXSA-N 1 1 449.595 5.033 50 0 IKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347337 569081348 /nfs/dbraw/zinc/08/13/48/569081348.db2.gz PWXKCCIQIWEFDS-QHCPKHFHSA-N 1 1 428.454 5.273 50 0 IKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc3c(c2)OCCO3)cc1 ZINC000036347337 569081349 /nfs/dbraw/zinc/08/13/49/569081349.db2.gz PWXKCCIQIWEFDS-QHCPKHFHSA-N 1 1 428.454 5.273 50 0 IKAAMO CCC[N@H+](Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C[C@H](C)O ZINC000036346496 569081419 /nfs/dbraw/zinc/08/14/19/569081419.db2.gz WQEGMGAKCLAMKY-FQEVSTJZSA-N 1 1 437.584 5.389 50 0 IKAAMO O=C(Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1)NC1CCCCC1 ZINC000065114716 569106541 /nfs/dbraw/zinc/10/65/41/569106541.db2.gz OYLMBKRENHRVOQ-UHFFFAOYSA-N 1 1 430.552 5.193 50 0 IKAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000007063305 569130255 /nfs/dbraw/zinc/13/02/55/569130255.db2.gz XPDJIMNFWFFXKM-AREMUKBSSA-N 1 1 427.548 5.012 50 0 IKAAMO Cc1cccc(NC(=O)Nc2ccc3[nH+]c(-c4ccccc4)cc(N4CCOCC4)c3c2)c1 ZINC000065320922 569136318 /nfs/dbraw/zinc/13/63/18/569136318.db2.gz MOAMYCGSAUJBFL-UHFFFAOYSA-N 1 1 438.531 5.691 50 0 IKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000065322364 569136668 /nfs/dbraw/zinc/13/66/68/569136668.db2.gz YKYUHXCNQOTFHT-UHFFFAOYSA-N 1 1 434.584 5.148 50 0 IKAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000065322236 569136679 /nfs/dbraw/zinc/13/66/79/569136679.db2.gz XPSMMCZYMIKZIC-UHFFFAOYSA-N 1 1 440.975 5.103 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662087 569160966 /nfs/dbraw/zinc/16/09/66/569160966.db2.gz GCSKBMGZXBBUQY-VQTJNVASSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662087 569160967 /nfs/dbraw/zinc/16/09/67/569160967.db2.gz GCSKBMGZXBBUQY-VQTJNVASSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662096 569160997 /nfs/dbraw/zinc/16/09/97/569160997.db2.gz GCSKBMGZXBBUQY-UXHICEINSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662096 569160998 /nfs/dbraw/zinc/16/09/98/569160998.db2.gz GCSKBMGZXBBUQY-UXHICEINSA-N 1 1 445.991 5.749 50 0 IKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000000638171 569180324 /nfs/dbraw/zinc/18/03/24/569180324.db2.gz DWPXVRNTXHVQOB-ZEQRLZLVSA-N 1 1 426.907 5.453 50 0 IKAAMO C[C@H](c1nn(CN2CCC[C@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000252452866 569184173 /nfs/dbraw/zinc/18/41/73/569184173.db2.gz JIXVFDDGRDNDAW-IERDGZPVSA-N 1 1 443.567 5.099 50 0 IKAAMO CCc1nc([C@@H](C)NC(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000252477146 569185809 /nfs/dbraw/zinc/18/58/09/569185809.db2.gz IYDKMQODXPBXBZ-WIYYLYMNSA-N 1 1 444.645 5.368 50 0 IKAAMO NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000252527491 569189563 /nfs/dbraw/zinc/18/95/63/569189563.db2.gz CRDZHNRMTWVSBC-UHFFFAOYSA-N 1 1 448.567 5.176 50 0 IKAAMO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1Cl ZINC000027348232 569191360 /nfs/dbraw/zinc/19/13/60/569191360.db2.gz 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50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000002246490 569214367 /nfs/dbraw/zinc/21/43/67/569214367.db2.gz ACSNALGVCSBTNO-SFTDATJTSA-N 1 1 436.899 5.345 50 0 IKAAMO Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002255049 569216798 /nfs/dbraw/zinc/21/67/98/569216798.db2.gz UPLPLZCOZIBLIY-RPWUZVMVSA-N 1 1 444.897 5.592 50 0 IKAAMO Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002255047 569216805 /nfs/dbraw/zinc/21/68/05/569216805.db2.gz UPLPLZCOZIBLIY-ZEQRLZLVSA-N 1 1 444.897 5.592 50 0 IKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002256141 569216879 /nfs/dbraw/zinc/21/68/79/569216879.db2.gz LVQQGWHHVQFJNP-XZOQPEGZSA-N 1 1 430.870 5.283 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000253388919 569264267 /nfs/dbraw/zinc/26/42/67/569264267.db2.gz GIXYHFPBYHIBKI-DHLKQENFSA-N 1 1 429.004 5.069 50 0 IKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC(F)(F)F)cc1)[NH2+]C2 ZINC000054979032 569272070 /nfs/dbraw/zinc/27/20/70/569272070.db2.gz YSARIKOVGNZOPH-JOCHJYFZSA-N 1 1 432.442 5.366 50 0 IKAAMO C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OC[N@H+]2C1 ZINC000253594903 569273257 /nfs/dbraw/zinc/27/32/57/569273257.db2.gz GRMUAQMHJKQVFL-LUAJDXSXSA-N 1 1 427.673 5.629 50 0 biogenic IKAAMO C[N@H+]1C[C@@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000008888305 569292087 /nfs/dbraw/zinc/29/20/87/569292087.db2.gz GDBDLBPXGKPWAX-FGZHOGPDSA-N 1 1 426.343 6.314 50 0 IKAAMO Cc1ccc(C[N@@H+](C)[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000013040514 569308001 /nfs/dbraw/zinc/30/80/01/569308001.db2.gz SENXMCFHFNFWKD-QFIPXVFZSA-N 1 1 446.900 6.479 50 0 IKAAMO Cc1ccc(C[N@H+](C)[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 ZINC000013040514 569308002 /nfs/dbraw/zinc/30/80/02/569308002.db2.gz SENXMCFHFNFWKD-QFIPXVFZSA-N 1 1 446.900 6.479 50 0 IKAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000013057978 569308367 /nfs/dbraw/zinc/30/83/67/569308367.db2.gz SFQXBSKKJIJKTA-QGZVFWFLSA-N 1 1 427.375 5.720 50 0 IKAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000013057978 569308369 /nfs/dbraw/zinc/30/83/69/569308369.db2.gz SFQXBSKKJIJKTA-QGZVFWFLSA-N 1 1 427.375 5.720 50 0 IKAAMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013140048 569311685 /nfs/dbraw/zinc/31/16/85/569311685.db2.gz ZIEVHIDFSZVYFJ-VWLOTQADSA-N 1 1 436.621 5.136 50 0 IKAAMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013140048 569311687 /nfs/dbraw/zinc/31/16/87/569311687.db2.gz ZIEVHIDFSZVYFJ-VWLOTQADSA-N 1 1 436.621 5.136 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369077 569314732 /nfs/dbraw/zinc/31/47/32/569314732.db2.gz PIWLFKBUABAZQF-OAQYLSRUSA-N 1 1 439.003 5.128 50 0 IKAAMO C[C@@H]1CN(CC2(C[N@H+]3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596146 569317884 /nfs/dbraw/zinc/31/78/84/569317884.db2.gz VBNMDIBAJVSUIU-YDLSIGKMSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1CN(CC2(C[N@@H+]3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596146 569317886 /nfs/dbraw/zinc/31/78/86/569317886.db2.gz VBNMDIBAJVSUIU-YDLSIGKMSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1C[N@@H+](CC2(CN3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596146 569317887 /nfs/dbraw/zinc/31/78/87/569317887.db2.gz VBNMDIBAJVSUIU-YDLSIGKMSA-N 1 1 446.682 5.204 50 0 IKAAMO C[C@@H]1C[N@H+](CC2(CN3C[C@@H](c4ccsc4)O[C@@H](C)C3)CCC2)C[C@@H](c2ccsc2)O1 ZINC000328596146 569317889 /nfs/dbraw/zinc/31/78/89/569317889.db2.gz VBNMDIBAJVSUIU-YDLSIGKMSA-N 1 1 446.682 5.204 50 0 IKAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)cc1 ZINC000079045103 569323058 /nfs/dbraw/zinc/32/30/58/569323058.db2.gz ZQRZVUIDNIPUNT-FZXOMJPYSA-N 1 1 438.531 5.045 50 0 IKAAMO Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H]([N@H+](C)C5CCCCC5)C4=O)cc3)sc2c1 ZINC000019890012 569331796 /nfs/dbraw/zinc/33/17/96/569331796.db2.gz VFRYKIBVYZTXSW-NRFANRHFSA-N 1 1 433.577 5.168 50 0 IKAAMO C[C@@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020386539 569363133 /nfs/dbraw/zinc/36/31/33/569363133.db2.gz USEVJXUDAHBZHA-KHIBUBOWSA-N 1 1 430.342 5.150 50 0 IKAAMO CCc1nc([C@@H](C)NC(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)cs1 ZINC000095460784 569369779 /nfs/dbraw/zinc/36/97/79/569369779.db2.gz IYDKMQODXPBXBZ-NQIIRXRSSA-N 1 1 444.645 5.368 50 0 IKAAMO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@@H+](C)Cc3ccccc3)cc(=O)oc2c1C ZINC000095472788 569372190 /nfs/dbraw/zinc/37/21/90/569372190.db2.gz HJIYIBMIOZFVLK-UHFFFAOYSA-N 1 1 438.527 6.158 50 0 IKAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)/C=C\c2ccc(OCc3cccnc3)cc2)cc1 ZINC000096055655 569381076 /nfs/dbraw/zinc/38/10/76/569381076.db2.gz ZQRZVUIDNIPUNT-HGEVBOJVSA-N 1 1 438.531 5.045 50 0 IKAAMO C[N@@H+]1[C@@H](c2ccccc2)SC2(c3ccccc3Sc3ccccc32)[C@@H]1c1ccccc1 ZINC000096580376 569401721 /nfs/dbraw/zinc/40/17/21/569401721.db2.gz RFLHEKITURKEQY-RRPNLBNLSA-N 1 1 437.633 7.514 50 0 IKAAMO C[N@H+]1[C@@H](c2ccccc2)SC2(c3ccccc3Sc3ccccc32)[C@@H]1c1ccccc1 ZINC000096580376 569401723 /nfs/dbraw/zinc/40/17/23/569401723.db2.gz RFLHEKITURKEQY-RRPNLBNLSA-N 1 1 437.633 7.514 50 0 IKAAMO COc1ccccc1[C@H](CNC(=O)c1sc2ccc(Br)cc2c1C)[NH+](C)C ZINC000028405045 569409902 /nfs/dbraw/zinc/40/99/02/569409902.db2.gz BYQRVVXPSZJEMI-KRWDZBQOSA-N 1 1 447.398 5.014 50 0 IKAAMO O=C(c1ccc(Cl)cc1)[C@H]1C[N@@H+](C2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000002708587 569417641 /nfs/dbraw/zinc/41/76/41/569417641.db2.gz CPVHOEXRGVOAQJ-VWNXMTODSA-N 1 1 432.391 5.719 50 0 IKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCC2)c1 ZINC000002714863 569417889 /nfs/dbraw/zinc/41/78/89/569417889.db2.gz DWLVMZXZUXQFRP-UHFFFAOYSA-N 1 1 436.481 6.851 50 0 IKAAMO O=C1CCCN1CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714670 569417895 /nfs/dbraw/zinc/41/78/95/569417895.db2.gz MGPQCJLUPGYMRZ-UHFFFAOYSA-N 1 1 445.954 5.165 50 0 IKAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002915137 569425069 /nfs/dbraw/zinc/42/50/69/569425069.db2.gz JUJUXASPKXSVIW-DNQXCXABSA-N 1 1 426.907 5.453 50 0 IKAAMO CCc1ccc(Sc2cc(C(=O)NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000002941384 569426673 /nfs/dbraw/zinc/42/66/73/569426673.db2.gz WCVYERRBBYFAOS-BGYRXZFFSA-N 1 1 447.648 5.941 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000057323080 569431163 /nfs/dbraw/zinc/43/11/63/569431163.db2.gz GVXIIMSHTHNGMK-QFIPXVFZSA-N 1 1 446.881 5.268 50 0 IKAAMO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC(C)(C)C1 ZINC000002974971 569433529 /nfs/dbraw/zinc/43/35/29/569433529.db2.gz IATCAPSQFAMHBK-WIYYLYMNSA-N 1 1 445.010 7.368 50 0 IKAAMO C[C@@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC(C)(C)C1 ZINC000002974975 569433545 /nfs/dbraw/zinc/43/35/45/569433545.db2.gz IATCAPSQFAMHBK-NQIIRXRSSA-N 1 1 445.010 7.368 50 0 IKAAMO COC[C@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002974807 569433571 /nfs/dbraw/zinc/43/35/71/569433571.db2.gz BXZBKXGDMSWAKS-HNNXBMFYSA-N 1 1 426.442 5.553 50 0 IKAAMO C[C@H]([NH2+][C@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000057452441 569435331 /nfs/dbraw/zinc/43/53/31/569435331.db2.gz UALUEOHVMCIOCF-DJJJIMSYSA-N 1 1 433.346 5.356 50 0 IKAAMO CCOc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1 ZINC000003044949 569438600 /nfs/dbraw/zinc/43/86/00/569438600.db2.gz CJAGKBRBMHETMY-FQEVSTJZSA-N 1 1 431.580 5.295 50 0 IKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000003047623 569438677 /nfs/dbraw/zinc/43/86/77/569438677.db2.gz DTDSVJHUGZHVRB-NRFANRHFSA-N 1 1 431.580 5.248 50 0 IKAAMO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000057541860 569439568 /nfs/dbraw/zinc/43/95/68/569439568.db2.gz 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Cc1cc([C@H](c2ccc(C(C)C)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546427 569463538 /nfs/dbraw/zinc/46/35/38/569463538.db2.gz PHVVBAKSPAKHJH-QHCPKHFHSA-N 1 1 437.609 5.362 50 0 IKAAMO CCc1cc([C@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546451 569463560 /nfs/dbraw/zinc/46/35/60/569463560.db2.gz XGLWFHLCLLBZOT-NRFANRHFSA-N 1 1 444.000 5.146 50 0 IKAAMO CCc1cc([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546446 569463592 /nfs/dbraw/zinc/46/35/92/569463592.db2.gz GPIXNOXORQBGMR-OAQYLSRUSA-N 1 1 444.000 5.146 50 0 IKAAMO CCc1cc([C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546447 569463622 /nfs/dbraw/zinc/46/36/22/569463622.db2.gz GPIXNOXORQBGMR-NRFANRHFSA-N 1 1 444.000 5.146 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1C ZINC000038546737 569463631 /nfs/dbraw/zinc/46/36/31/569463631.db2.gz CPCHDNBIJKELFC-NRFANRHFSA-N 1 1 443.613 5.155 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccc(C)cc2)N2CC[NH+](C)CC2)c1C 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/nfs/dbraw/zinc/46/38/98/569463898.db2.gz LODMEEUIFHUEEM-JOCHJYFZSA-N 1 1 435.524 6.254 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547848 569463958 /nfs/dbraw/zinc/46/39/58/569463958.db2.gz DYSGLEPZWMAWPX-HSZRJFAPSA-N 1 1 431.561 6.369 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008771706 569475252 /nfs/dbraw/zinc/47/52/52/569475252.db2.gz KLJYDOWCWHBHHT-NRFANRHFSA-N 1 1 439.968 5.397 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 ZINC000008771706 569475253 /nfs/dbraw/zinc/47/52/53/569475253.db2.gz KLJYDOWCWHBHHT-NRFANRHFSA-N 1 1 439.968 5.397 50 0 IKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C1CCCCC1 ZINC000040039650 569483357 /nfs/dbraw/zinc/48/33/57/569483357.db2.gz AZFQODGHXQTXSF-UHFFFAOYSA-N 1 1 428.960 5.057 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 ZINC000008923448 569487037 /nfs/dbraw/zinc/48/70/37/569487037.db2.gz 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5.701 50 0 IKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccccc1)C(=O)c1ccc(F)cc1 ZINC000245329189 569504053 /nfs/dbraw/zinc/50/40/53/569504053.db2.gz RJNAEEVBEKVLCJ-DHLKQENFSA-N 1 1 436.596 5.654 50 0 IKAAMO CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[N@@H+]3CCCC[C@H]3C)cc21 ZINC000245380710 569505574 /nfs/dbraw/zinc/50/55/74/569505574.db2.gz IKXAZHVMIKPYHS-XXBNENTESA-N 1 1 434.580 5.064 50 0 IKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000009151100 569507385 /nfs/dbraw/zinc/50/73/85/569507385.db2.gz YYFKJEWHNTWVTL-UHFFFAOYSA-N 1 1 428.989 5.200 50 0 IKAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(Cl)cc1 ZINC000009229124 569513708 /nfs/dbraw/zinc/51/37/08/569513708.db2.gz LJYHPKZWNOCBER-UHFFFAOYSA-N 1 1 440.031 5.812 50 0 IKAAMO Clc1ccc(-c2nnc(C[N@@H+](CCOc3cc(Cl)ccc3Cl)C3CC3)o2)cc1 ZINC000009253741 569516257 /nfs/dbraw/zinc/51/62/57/569516257.db2.gz PSZSLBZESIAMQX-UHFFFAOYSA-N 1 1 438.742 5.740 50 0 IKAAMO Clc1ccc(-c2nnc(C[N@H+](CCOc3cc(Cl)ccc3Cl)C3CC3)o2)cc1 ZINC000009253741 569516256 /nfs/dbraw/zinc/51/62/56/569516256.db2.gz PSZSLBZESIAMQX-UHFFFAOYSA-N 1 1 438.742 5.740 50 0 IKAAMO CC1=C(c2ccccc2)[N@@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000009287911 569519282 /nfs/dbraw/zinc/51/92/82/569519282.db2.gz VDDUSYQXSVDMQA-IHLOFXLRSA-N 1 1 443.590 7.216 50 0 IKAAMO CC1=C(c2ccccc2)[N@@H+](Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000009287901 569519293 /nfs/dbraw/zinc/51/92/93/569519293.db2.gz VDDUSYQXSVDMQA-KYJUHHDHSA-N 1 1 443.590 7.216 50 0 IKAAMO Cc1ccc2c(c1)[nH]c(C(=O)NCC[N@@H+]1CCCC[C@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288291 569519349 /nfs/dbraw/zinc/51/93/49/569519349.db2.gz WJEVSNKSXSTWMO-QGZVFWFLSA-N 1 1 442.028 5.885 50 0 IKAAMO Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1Cl ZINC000009293258 569520128 /nfs/dbraw/zinc/52/01/28/569520128.db2.gz IZYMSRNDGIYNOA-FCHUYYIVSA-N 1 1 448.313 5.193 50 0 IKAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1Cl ZINC000009293257 569520153 /nfs/dbraw/zinc/52/01/53/569520153.db2.gz IZYMSRNDGIYNOA-VXKWHMMOSA-N 1 1 448.313 5.193 50 0 IKAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)c1ccccc1 ZINC000009314574 569522092 /nfs/dbraw/zinc/52/20/92/569522092.db2.gz RTVZNTBRYKZVNN-QFIPXVFZSA-N 1 1 426.463 5.156 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNc1nnc2c3ccccc3n(Cc3ccc(C)cc3)c2n1 ZINC000009405487 569529919 /nfs/dbraw/zinc/52/99/19/569529919.db2.gz FRVXNNALJIHVAS-QFIPXVFZSA-N 1 1 442.611 5.403 50 0 IKAAMO Brc1c(OCCC[N@H+]2CCCC[C@H]2c2cccnc2)ccc2ccccc21 ZINC000009410983 569531441 /nfs/dbraw/zinc/53/14/41/569531441.db2.gz DZPPULQLLRCPBO-NRFANRHFSA-N 1 1 425.370 5.993 50 0 biogenic IKAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000009464967 569537766 /nfs/dbraw/zinc/53/77/66/569537766.db2.gz ZUBNXYQNHYIIDE-XMMPIXPASA-N 1 1 444.531 5.056 50 0 IKAAMO COc1ccc([C@H]2CCCCC[N@@H+]2Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 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HRJJOWSSYLATPI-DEOSSOPVSA-N 1 1 447.629 5.443 50 0 IKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1 ZINC000009722304 569563442 /nfs/dbraw/zinc/56/34/42/569563442.db2.gz WKSYPXGXVNLNKM-IYBDPMFKSA-N 1 1 445.032 5.053 50 0 IKAAMO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Br)cc1Cl ZINC000010225413 569579290 /nfs/dbraw/zinc/57/92/90/569579290.db2.gz UDXJRSXZVPJWFX-UHFFFAOYSA-N 1 1 446.776 5.402 50 0 IKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036308035 569587986 /nfs/dbraw/zinc/58/79/86/569587986.db2.gz ZHCAOULCJWWPIE-LJQANCHMSA-N 1 1 437.559 5.520 50 0 IKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000001447744 132245574 /nfs/dbraw/zinc/24/55/74/132245574.db2.gz JZHYGSMCUBOIET-RTBURBONSA-N 1 1 428.536 5.100 50 0 IKAAMO C[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)C1 ZINC000002975086 132259967 /nfs/dbraw/zinc/25/99/67/132259967.db2.gz LREAWDATUSGTAY-KRWDZBQOSA-N 1 1 436.481 6.343 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)cc1Cl ZINC000002975054 132259972 /nfs/dbraw/zinc/25/99/72/132259972.db2.gz QDXBFWQKAZIOBG-ROUUACIJSA-N 1 1 430.983 6.532 50 0 IKAAMO C[N@H+](CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccccc1 ZINC000005222036 132275086 /nfs/dbraw/zinc/27/50/86/132275086.db2.gz XPPPKTYAYSLOEY-UHFFFAOYSA-N 1 1 428.479 5.967 50 0 IKAAMO C[N@@H+](CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccccc1 ZINC000005222036 132275088 /nfs/dbraw/zinc/27/50/88/132275088.db2.gz XPPPKTYAYSLOEY-UHFFFAOYSA-N 1 1 428.479 5.967 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)CCS2 ZINC000009962334 132332801 /nfs/dbraw/zinc/33/28/01/132332801.db2.gz WTOPQRWHYJOWCJ-QHCPKHFHSA-N 1 1 437.653 5.183 50 0 IKAAMO CC(C)[N@@H+](CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)Cc1ccccc1 ZINC000021934621 519643818 /nfs/dbraw/zinc/64/38/18/519643818.db2.gz REIDMAJJJRGEIF-UHFFFAOYSA-N 1 1 438.575 5.327 50 0 IKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844718 519652387 /nfs/dbraw/zinc/65/23/87/519652387.db2.gz YINKNSMCTMLGCQ-UHFFFAOYSA-N 1 1 432.505 6.743 50 0 IKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)c(F)c1 ZINC000035844670 519718852 /nfs/dbraw/zinc/71/88/52/519718852.db2.gz BPAAOVUAOJKJDR-UHFFFAOYSA-N 1 1 436.468 6.492 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841204 519791368 /nfs/dbraw/zinc/79/13/68/519791368.db2.gz NCQNSBBKHFBJGX-LJQANCHMSA-N 1 1 432.505 6.741 50 0 IKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728576 520476328 /nfs/dbraw/zinc/47/63/28/520476328.db2.gz SNJADVUHSXUFMS-PTGBLXJZSA-N 1 1 437.609 5.014 50 0 IKAAMO CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](C[C@@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 ZINC000012562234 520683329 /nfs/dbraw/zinc/68/33/29/520683329.db2.gz IVFYNVUWEOJAST-IRYIGKPUSA-N 1 1 445.434 6.220 50 0 IKAAMO CCC[C@@H]([NH2+]Cc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)c1ccccc1 ZINC000016046675 520784845 /nfs/dbraw/zinc/78/48/45/520784845.db2.gz NTIMZCLFZCADID-XMMPIXPASA-N 1 1 427.548 5.415 50 0 IKAAMO CC1=C2C[C@@H]3[C@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012884451 520849638 /nfs/dbraw/zinc/84/96/38/520849638.db2.gz FKEAUJZKSIRFAS-MWXBQQNOSA-N 1 1 426.000 5.887 50 0 biogenic IKAAMO CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](C(C)(C)C)C3 ZINC000020828972 520978164 /nfs/dbraw/zinc/97/81/64/520978164.db2.gz GOCNFVVJPPPDNQ-UHFFFAOYSA-N 1 1 441.666 5.555 50 0 IKAAMO CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021795546 521098654 /nfs/dbraw/zinc/09/86/54/521098654.db2.gz TYLOUWWSRXRBDN-UHFFFAOYSA-N 1 1 446.555 5.562 50 0 IKAAMO CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021795546 521098661 /nfs/dbraw/zinc/09/86/61/521098661.db2.gz TYLOUWWSRXRBDN-UHFFFAOYSA-N 1 1 446.555 5.562 50 0 IKAAMO CCOc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868332 521251272 /nfs/dbraw/zinc/25/12/72/521251272.db2.gz JMHDKOKBJNUEFO-RPBOFIJWSA-N 1 1 432.004 5.088 50 0 IKAAMO CCOc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868335 521277232 /nfs/dbraw/zinc/27/72/32/521277232.db2.gz JMHDKOKBJNUEFO-JWQCQUIFSA-N 1 1 432.004 5.088 50 0 IKAAMO CCOc1ccc([C@](O)(CCC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447043 521277752 /nfs/dbraw/zinc/27/77/52/521277752.db2.gz CMGZZHHJWZJKQF-IZZNHLLZSA-N 1 1 446.031 5.479 50 0 IKAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012302537 521484295 /nfs/dbraw/zinc/48/42/95/521484295.db2.gz FGFHQTRMJQCAIR-GOSISDBHSA-N 1 1 430.976 5.378 50 0 IKAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)sc2C1 ZINC000012862297 521725289 /nfs/dbraw/zinc/72/52/89/521725289.db2.gz DFMFKXGXBSHFNB-UHFFFAOYSA-N 1 1 427.957 5.006 50 0 IKAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)sc2C1 ZINC000012862297 521725290 /nfs/dbraw/zinc/72/52/90/521725290.db2.gz DFMFKXGXBSHFNB-UHFFFAOYSA-N 1 1 427.957 5.006 50 0 IKAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCc3ccc(O)cc3)c(C)o2)cc1 ZINC000012385554 521926399 /nfs/dbraw/zinc/92/63/99/521926399.db2.gz ALHJHBWKSPDDRG-JOCHJYFZSA-N 1 1 434.536 5.130 50 0 IKAAMO CC[C@@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844781 522065717 /nfs/dbraw/zinc/06/57/17/522065717.db2.gz HUJVVKMBCOAHLD-OAQYLSRUSA-N 1 1 436.571 5.599 50 0 IKAAMO CC[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844781 522065721 /nfs/dbraw/zinc/06/57/21/522065721.db2.gz HUJVVKMBCOAHLD-OAQYLSRUSA-N 1 1 436.571 5.599 50 0 IKAAMO CC[C@@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035844779 522066700 /nfs/dbraw/zinc/06/67/00/522066700.db2.gz SGWHWGOHZZQKJE-OAQYLSRUSA-N 1 1 436.571 5.599 50 0 IKAAMO COc1cc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)cc(OC)c1 ZINC000012199626 522652839 /nfs/dbraw/zinc/65/28/39/522652839.db2.gz UYHSFJAANUQPPY-SFHVURJKSA-N 1 1 428.598 5.057 50 0 IKAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[N@@H+](C)CCCC1CCCC1 ZINC000011818937 522729083 /nfs/dbraw/zinc/72/90/83/522729083.db2.gz JWXXROPBEFMRDP-UHFFFAOYSA-N 1 1 438.641 5.113 50 0 IKAAMO CC[C@@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532213 522748304 /nfs/dbraw/zinc/74/83/04/522748304.db2.gz VAJHUHSCASZJAK-OAQYLSRUSA-N 1 1 436.625 5.806 50 0 IKAAMO CC[C@@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532135 522748519 /nfs/dbraw/zinc/74/85/19/522748519.db2.gz DREZEMPBIMAHSG-GOSISDBHSA-N 1 1 438.597 5.117 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)cc1 ZINC000012432202 523140516 /nfs/dbraw/zinc/14/05/16/523140516.db2.gz LMGYSSNDQIRRHB-HXUWFJFHSA-N 1 1 436.502 5.491 50 0 IKAAMO COCCC[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C ZINC000035841221 523264179 /nfs/dbraw/zinc/26/41/79/523264179.db2.gz QBWOCPFSSBAFIP-UHFFFAOYSA-N 1 1 430.514 5.902 50 0 IKAAMO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1C ZINC000012586641 523602877 /nfs/dbraw/zinc/60/28/77/523602877.db2.gz WXGKIFDVAHFHLP-FQEVSTJZSA-N 1 1 448.529 5.049 50 0 IKAAMO CC[C@H](C)[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844782 523924690 /nfs/dbraw/zinc/92/46/90/523924690.db2.gz HUJVVKMBCOAHLD-NRFANRHFSA-N 1 1 436.571 5.599 50 0 IKAAMO CC[C@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844782 523924694 /nfs/dbraw/zinc/92/46/94/523924694.db2.gz HUJVVKMBCOAHLD-NRFANRHFSA-N 1 1 436.571 5.599 50 0 IKAAMO CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021795519 523986910 /nfs/dbraw/zinc/98/69/10/523986910.db2.gz QSIQLKKUPWQVIO-UHFFFAOYSA-N 1 1 430.556 5.725 50 0 IKAAMO CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021795519 523986915 /nfs/dbraw/zinc/98/69/15/523986915.db2.gz QSIQLKKUPWQVIO-UHFFFAOYSA-N 1 1 430.556 5.725 50 0 IKAAMO COc1ccc(C[N@@H+](CCC(C)C)Cc2cccn2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000035499769 524012248 /nfs/dbraw/zinc/01/22/48/524012248.db2.gz YIOHNNHWUOPIKM-UHFFFAOYSA-N 1 1 444.541 6.612 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cc1 ZINC000012746600 524029599 /nfs/dbraw/zinc/02/95/99/524029599.db2.gz IJBSLPSUVNBVRA-QFIPXVFZSA-N 1 1 430.548 5.222 50 0 IKAAMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012315505 524175609 /nfs/dbraw/zinc/17/56/09/524175609.db2.gz HVTRCFBHQZGFCT-OAQYLSRUSA-N 1 1 440.927 5.768 50 0 IKAAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012315505 524175614 /nfs/dbraw/zinc/17/56/14/524175614.db2.gz HVTRCFBHQZGFCT-OAQYLSRUSA-N 1 1 440.927 5.768 50 0 IKAAMO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](CCCSC)C4)nc12 ZINC000012246832 524199559 /nfs/dbraw/zinc/19/95/59/524199559.db2.gz XSSMARGTKMPGEA-UHFFFAOYSA-N 1 1 438.593 5.175 50 0 IKAAMO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000012303180 524316290 /nfs/dbraw/zinc/31/62/90/524316290.db2.gz LNTFQWNTUHBPLZ-MBNRZODZSA-N 1 1 442.987 5.501 50 0 IKAAMO Cc1cccc(C[N@H+](Cc2cccn2Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C(C)C)c1 ZINC000035844683 524382698 /nfs/dbraw/zinc/38/26/98/524382698.db2.gz UFUOOFYQELCVPN-NRFANRHFSA-N 1 1 428.542 6.910 50 0 IKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccc(F)c(F)c2)C(C)C)o1 ZINC000035844768 524414489 /nfs/dbraw/zinc/41/44/89/524414489.db2.gz YYJWJSARHKSXJR-UHFFFAOYSA-N 1 1 440.534 5.348 50 0 IKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccc(F)c(F)c2)C(C)C)o1 ZINC000035844768 524414501 /nfs/dbraw/zinc/41/45/01/524414501.db2.gz YYJWJSARHKSXJR-UHFFFAOYSA-N 1 1 440.534 5.348 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3csc(C(C)=O)c3)C2)cc1Cl ZINC000012580325 524483351 /nfs/dbraw/zinc/48/33/51/524483351.db2.gz ZPYBEMZLKYMMQS-INIZCTEOSA-N 1 1 434.989 5.244 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3csc(C(C)=O)c3)C2)cc1Cl ZINC000012580325 524483358 /nfs/dbraw/zinc/48/33/58/524483358.db2.gz ZPYBEMZLKYMMQS-INIZCTEOSA-N 1 1 434.989 5.244 50 0 IKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000035844707 524495291 /nfs/dbraw/zinc/49/52/91/524495291.db2.gz YTBYEDJWDQLHCM-UHFFFAOYSA-N 1 1 448.532 7.066 50 0 IKAAMO COc1ccccc1NC(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)[nH+]2)cc1 ZINC000021795532 524617248 /nfs/dbraw/zinc/61/72/48/524617248.db2.gz DHOYGRRJSHIXIO-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO COc1ccccc1NC(=O)Nc1ccc(Nc2cc(N3CCCCC3)[nH+]c(C)n2)cc1 ZINC000021795532 524617259 /nfs/dbraw/zinc/61/72/59/524617259.db2.gz DHOYGRRJSHIXIO-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)C[N@@H+](C)CC3 ZINC000035426947 524748953 /nfs/dbraw/zinc/74/89/53/524748953.db2.gz OIABGGNBKZPTOB-HNNXBMFYSA-N 1 1 441.000 5.597 50 0 IKAAMO Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)C[N@H+](C)CC3 ZINC000035426947 524748964 /nfs/dbraw/zinc/74/89/64/524748964.db2.gz OIABGGNBKZPTOB-HNNXBMFYSA-N 1 1 441.000 5.597 50 0 IKAAMO Cc1cc(NC(=O)C[NH2+][C@@H](c2cc3ccccc3o2)c2ccccc2)n(-c2ccccc2)n1 ZINC000012568006 525146905 /nfs/dbraw/zinc/14/69/05/525146905.db2.gz BTSOAFJXOSDQIR-HHHXNRCGSA-N 1 1 436.515 5.245 50 0 IKAAMO COc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccccc2)cc1 ZINC000035476836 525372969 /nfs/dbraw/zinc/37/29/69/525372969.db2.gz RBUZPCPLZNFUMB-DEOSSOPVSA-N 1 1 443.572 6.222 50 0 IKAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cc(C)[nH+]c2C)cc1 ZINC000012602544 525405395 /nfs/dbraw/zinc/40/53/95/525405395.db2.gz PAHYCQZPTUXGFM-AREMUKBSSA-N 1 1 438.531 5.040 50 0 IKAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@H](c3nc(SCc4cccnc4)ncc3C)C2)o1 ZINC000012152300 525680216 /nfs/dbraw/zinc/68/02/16/525680216.db2.gz HHSDWTZYUSYUHQ-PGRDOPGGSA-N 1 1 436.625 5.747 50 0 IKAAMO Cc1ccc(-n2c(SC[C@@H]3C[N@@H+](CC(C)C)CCO3)nnc2-c2ccccc2)cc1C ZINC000013145868 525901894 /nfs/dbraw/zinc/90/18/94/525901894.db2.gz CTGFEBZDJMGKFP-QHCPKHFHSA-N 1 1 436.625 5.000 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022508427 525980197 /nfs/dbraw/zinc/98/01/97/525980197.db2.gz GMTITNFRUQRUIS-LJAQVGFWSA-N 1 1 437.587 5.343 50 0 IKAAMO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000012779951 526170311 /nfs/dbraw/zinc/17/03/11/526170311.db2.gz YZQHLDCDHSBQLN-FQEVSTJZSA-N 1 1 433.346 5.276 50 0 IKAAMO Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012779955 526170889 /nfs/dbraw/zinc/17/08/89/526170889.db2.gz YZQHLDCDHSBQLN-HXUWFJFHSA-N 1 1 433.346 5.276 50 0 IKAAMO Cc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCCCC4)cc3)cc(-c3ccccc3)c2c1 ZINC000012759385 526241506 /nfs/dbraw/zinc/24/15/06/526241506.db2.gz SNXNXHLUYUGMEW-UHFFFAOYSA-N 1 1 435.571 6.302 50 0 IKAAMO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000012140782 526251299 /nfs/dbraw/zinc/25/12/99/526251299.db2.gz GGHSVASLRKWUDF-UHFFFAOYSA-N 1 1 443.572 5.044 50 0 IKAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccn1Cc1ccccc1F)Cc1ccccc1 ZINC000035840613 526290559 /nfs/dbraw/zinc/29/05/59/526290559.db2.gz OIZRDIIZVVXNGO-SANMLTNESA-N 1 1 444.550 5.118 50 0 IKAAMO S=c1n(CCc2ccccc2)c2ccccc2n1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012565540 526388946 /nfs/dbraw/zinc/38/89/46/526388946.db2.gz IOMCLPVUJQPQDF-UHFFFAOYSA-N 1 1 441.644 6.327 50 0 IKAAMO c1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)n(-c2ccccn2)c1 ZINC000012308843 526422685 /nfs/dbraw/zinc/42/26/85/526422685.db2.gz PIUWYLSUBZHTIW-RUZDIDTESA-N 1 1 443.639 5.314 50 0 IKAAMO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000022766046 526494258 /nfs/dbraw/zinc/49/42/58/526494258.db2.gz JUPKARFDRYOMOU-NRFANRHFSA-N 1 1 430.495 5.296 50 0 IKAAMO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 ZINC000022766046 526494262 /nfs/dbraw/zinc/49/42/62/526494262.db2.gz JUPKARFDRYOMOU-NRFANRHFSA-N 1 1 430.495 5.296 50 0 IKAAMO c1cncc(CN(Cc2nc3c(s2)CCCC3)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012307946 526546091 /nfs/dbraw/zinc/54/60/91/526546091.db2.gz UTESDEKZOQAOML-JOCHJYFZSA-N 1 1 438.685 5.464 50 0 IKAAMO O=C(CC[C@H]1CCC[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)Nc1ccccc1F ZINC000012576141 526569964 /nfs/dbraw/zinc/56/99/64/526569964.db2.gz XRPIKODRNMGXSO-QGZVFWFLSA-N 1 1 428.935 5.386 50 0 IKAAMO O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000023875465 526584551 /nfs/dbraw/zinc/58/45/51/526584551.db2.gz DARZSLZUOILWSE-UHFFFAOYSA-N 1 1 445.950 5.430 50 0 IKAAMO O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019646758 526588293 /nfs/dbraw/zinc/58/82/93/526588293.db2.gz OECREBRXHBAXCN-UHFFFAOYSA-N 1 1 447.991 5.575 50 0 IKAAMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000012376375 526669335 /nfs/dbraw/zinc/66/93/35/526669335.db2.gz OCXAQEGQAVMMIV-UHFFFAOYSA-N 1 1 446.594 6.088 50 0 IKAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012376248 526728244 /nfs/dbraw/zinc/72/82/44/526728244.db2.gz KCBKMSVIEVTOOS-UHFFFAOYSA-N 1 1 444.419 5.617 50 0 IKAAMO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000021659445 526737892 /nfs/dbraw/zinc/73/78/92/526737892.db2.gz UCZBWNVJIBPSQM-UHFFFAOYSA-N 1 1 441.362 5.542 50 0 IKAAMO Cc1oc(-c2cccs2)nc1CN(C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012471587 526745180 /nfs/dbraw/zinc/74/51/80/526745180.db2.gz KFOVMCQZWDFKPG-HXUWFJFHSA-N 1 1 427.589 5.237 50 0 IKAAMO Cc1oc(-c2cccs2)nc1CN(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012761112 526746532 /nfs/dbraw/zinc/74/65/32/526746532.db2.gz PNBNTJMDBMYYMD-UHFFFAOYSA-N 1 1 427.589 5.237 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c1C ZINC000035476886 526884040 /nfs/dbraw/zinc/88/40/40/526884040.db2.gz NQBFQKWQWZXWHB-DEOSSOPVSA-N 1 1 445.563 6.661 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(C)[nH+]2)c2ccsc2)c1C ZINC000035476913 526884057 /nfs/dbraw/zinc/88/40/57/526884057.db2.gz IZZXLVUMCPCRFO-JOCHJYFZSA-N 1 1 433.602 6.584 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c1C ZINC000022917883 526885029 /nfs/dbraw/zinc/88/50/29/526885029.db2.gz QOLCRCBTSQBICN-HSZRJFAPSA-N 1 1 437.584 5.093 50 0 IKAAMO O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000012718443 526899374 /nfs/dbraw/zinc/89/93/74/526899374.db2.gz QLDCGJUGBRODIJ-JOCHJYFZSA-N 1 1 449.542 5.167 50 0 IKAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)[nH+]1 ZINC000021795418 527002768 /nfs/dbraw/zinc/00/27/68/527002768.db2.gz RFOXWQGSRZWWTN-UHFFFAOYSA-N 1 1 430.434 5.257 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc(N(C)C)[nH+]1 ZINC000021795418 527002773 /nfs/dbraw/zinc/00/27/73/527002773.db2.gz RFOXWQGSRZWWTN-UHFFFAOYSA-N 1 1 430.434 5.257 50 0 IKAAMO Cc1nc([C@@H](C)[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)cs1 ZINC000012590431 527031943 /nfs/dbraw/zinc/03/19/43/527031943.db2.gz VTJPJRCFKABWKU-QGZVFWFLSA-N 1 1 428.561 5.960 50 0 IKAAMO Cc1nc([C@H](C)[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)cs1 ZINC000012590436 527064058 /nfs/dbraw/zinc/06/40/58/527064058.db2.gz VTJPJRCFKABWKU-KRWDZBQOSA-N 1 1 428.561 5.960 50 0 IKAAMO O=C(Nc1ccc(C(F)(F)F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020442744 527164576 /nfs/dbraw/zinc/16/45/76/527164576.db2.gz REUOGQSYHNEGRL-UHFFFAOYSA-N 1 1 439.481 5.645 50 0 IKAAMO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000091695181 527177383 /nfs/dbraw/zinc/17/73/83/527177383.db2.gz ZJERBUUZRRXAOV-UHFFFAOYSA-N 1 1 432.273 5.258 50 0 IKAAMO O=C(Cc1cccc2ccccc21)NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766099 527273899 /nfs/dbraw/zinc/27/38/99/527273899.db2.gz AIKBYPLEXVHZAU-SANMLTNESA-N 1 1 426.585 5.360 50 0 IKAAMO O=C(Cc1cccc2ccccc21)NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766099 527273908 /nfs/dbraw/zinc/27/39/08/527273908.db2.gz AIKBYPLEXVHZAU-SANMLTNESA-N 1 1 426.585 5.360 50 0 IKAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000012307973 527433885 /nfs/dbraw/zinc/43/38/85/527433885.db2.gz JMCDKRUGWXELCN-LWQICCLCSA-N 1 1 431.511 5.377 50 0 IKAAMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1)c1c(Cl)cc(Cl)cc1Cl ZINC000022638981 527544232 /nfs/dbraw/zinc/54/42/32/527544232.db2.gz BEGYLWSSBNNNMA-AYHJJNSGSA-N 1 1 437.798 5.615 50 0 IKAAMO CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](C[C@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 ZINC000000626556 555512922 /nfs/dbraw/zinc/51/29/22/555512922.db2.gz IVFYNVUWEOJAST-RSLCBRBSSA-N 1 1 445.434 6.220 50 0 IKAAMO COc1cc2c(cc1OC)[C@H](O)C(C)(C)[N@@H+](CCC(c1ccccc1)c1ccccc1)C2 ZINC000000755133 555553774 /nfs/dbraw/zinc/55/37/74/555553774.db2.gz LWHIZVSTKKDMAP-MHZLTWQESA-N 1 1 431.576 5.554 50 0 biogenic IKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2OC)cc1 ZINC000001447729 555699606 /nfs/dbraw/zinc/69/96/06/555699606.db2.gz VKTIAOWACDOMDS-UHFFFAOYSA-N 1 1 436.515 5.717 50 0 IKAAMO CC(C)=CC(=O)N1CC[NH+](C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000022631091 555726932 /nfs/dbraw/zinc/72/69/32/555726932.db2.gz MJKCJJSWGRNRQG-DEOSSOPVSA-N 1 1 426.988 5.017 50 0 IKAAMO COC(=O)CN1C(c2ccccc2)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002070287 555734604 /nfs/dbraw/zinc/73/46/04/555734604.db2.gz RSJCKHZEGPQSEV-QFIPXVFZSA-N 1 1 435.321 5.105 50 0 IKAAMO Cc1cccc(-c2noc(C[NH+]3CCC4(C[C@@H]4c4nnc(-c5cccc(F)c5)o4)CC3)n2)c1 ZINC000071890590 555747907 /nfs/dbraw/zinc/74/79/07/555747907.db2.gz OQBLNLIECCWNLO-HXUWFJFHSA-N 1 1 445.498 5.004 50 0 IKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 ZINC000002247357 555761823 /nfs/dbraw/zinc/76/18/23/555761823.db2.gz FDNCQVNUFFBWQC-ZEQRLZLVSA-N 1 1 442.906 5.153 50 0 IKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002449671 555781090 /nfs/dbraw/zinc/78/10/90/555781090.db2.gz ZENKZVGSUOSJJW-BJKOFHAPSA-N 1 1 442.519 5.352 50 0 IKAAMO Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)N1NC=NC1=[NH+]2 ZINC000002542279 555786764 /nfs/dbraw/zinc/78/67/64/555786764.db2.gz FQYHPBCXTOWINF-DHIUTWEWSA-N 1 1 430.870 5.283 50 0 IKAAMO C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667474 555791796 /nfs/dbraw/zinc/79/17/96/555791796.db2.gz YAXFIAZKGNUNPQ-XHCCPWGMSA-N 1 1 444.550 5.019 50 0 IKAAMO C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NC1CC1 ZINC000034667474 555791798 /nfs/dbraw/zinc/79/17/98/555791798.db2.gz YAXFIAZKGNUNPQ-XHCCPWGMSA-N 1 1 444.550 5.019 50 0 IKAAMO CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034671598 555793046 /nfs/dbraw/zinc/79/30/46/555793046.db2.gz BZGNDTZUVYELPW-IZLXSDGUSA-N 1 1 442.603 5.436 50 0 IKAAMO CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034671600 555793195 /nfs/dbraw/zinc/79/31/95/555793195.db2.gz BZGNDTZUVYELPW-WUFINQPMSA-N 1 1 442.603 5.436 50 0 IKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000034671815 555793416 /nfs/dbraw/zinc/79/34/16/555793416.db2.gz ACMDUCRFEHHFLQ-RBTNQOKQSA-N 1 1 440.587 5.189 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698766 555812320 /nfs/dbraw/zinc/81/23/20/555812320.db2.gz XPMZOHXHEZSRQC-ATIYNZHBSA-N 1 1 433.571 5.229 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698767 555812472 /nfs/dbraw/zinc/81/24/72/555812472.db2.gz XPMZOHXHEZSRQC-GJZUVCINSA-N 1 1 433.571 5.229 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)o1 ZINC000034698954 555812515 /nfs/dbraw/zinc/81/25/15/555812515.db2.gz LAYZZVWVEAYMPA-XTEPFMGCSA-N 1 1 444.619 5.910 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698794 555812522 /nfs/dbraw/zinc/81/25/22/555812522.db2.gz CDIYKANMJTXJDE-SHQCIBLASA-N 1 1 429.608 5.100 50 0 IKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@@H]1c1ccccc1)C(=O)c1ccccc1F ZINC000034698984 555812535 /nfs/dbraw/zinc/81/25/35/555812535.db2.gz MTFSYEJGJHCSJB-JYFHCDHNSA-N 1 1 445.582 5.235 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698798 555812548 /nfs/dbraw/zinc/81/25/48/555812548.db2.gz IDYBSXZMTOQFNX-LEAFIULHSA-N 1 1 444.594 5.901 50 0 IKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)cc1 ZINC000034699080 555812821 /nfs/dbraw/zinc/81/28/21/555812821.db2.gz GKXFADCWXQLVNI-WDYNHAJCSA-N 1 1 440.631 6.070 50 0 IKAAMO Cc1ccsc1C[N@H+]1C[C@@H](c2ccc(C)cc2)[C@@H](CN(C(=O)c2ccccc2)C(C)C)C1 ZINC000034699090 555813171 /nfs/dbraw/zinc/81/31/71/555813171.db2.gz BWNFSHOBSPVFIE-FTJBHMTQSA-N 1 1 446.660 6.131 50 0 IKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccccc4)CC3)nc2)cc1 ZINC000034681640 555814951 /nfs/dbraw/zinc/81/49/51/555814951.db2.gz IXKCJARRTJLRRS-UHFFFAOYSA-N 1 1 442.607 5.344 50 0 IKAAMO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc1)c1ccccc1 ZINC000034681882 555815645 /nfs/dbraw/zinc/81/56/45/555815645.db2.gz YOEQYGYNUOIKOB-RUZDIDTESA-N 1 1 446.570 5.065 50 0 IKAAMO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(C)c3)CC2)nc1)c1ccccc1 ZINC000034681895 555815760 /nfs/dbraw/zinc/81/57/60/555815760.db2.gz LVPMRNHXYCZPAS-SANMLTNESA-N 1 1 442.607 5.235 50 0 IKAAMO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682604 555816808 /nfs/dbraw/zinc/81/68/08/555816808.db2.gz UNZYKYZYEDMQEJ-UHFFFAOYSA-N 1 1 436.493 5.888 50 0 IKAAMO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682743 555817163 /nfs/dbraw/zinc/81/71/63/555817163.db2.gz LFVPVVZTLBSHPZ-UHFFFAOYSA-N 1 1 436.493 5.951 50 0 IKAAMO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000034682904 555817536 /nfs/dbraw/zinc/81/75/36/555817536.db2.gz NVPHUERDOBXSGM-UHFFFAOYSA-N 1 1 442.481 5.918 50 0 IKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)NCCc3ccccc3)C[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711210 555824082 /nfs/dbraw/zinc/82/40/82/555824082.db2.gz YDMKWTYGMQDKGS-FTJBHMTQSA-N 1 1 430.567 5.099 50 0 IKAAMO Cc1cccc(CNC(=O)[C@@H]2C[C@H](c3ccccc3)C[N@@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711390 555824562 /nfs/dbraw/zinc/82/45/62/555824562.db2.gz PBRQTRFVQCMQAC-BJKOFHAPSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000034723378 555861912 /nfs/dbraw/zinc/86/19/12/555861912.db2.gz QAVFCVZATIHAMQ-IGKIAQTJSA-N 1 1 431.649 5.094 50 0 IKAAMO Cc1ccc([C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000034723380 555862058 /nfs/dbraw/zinc/86/20/58/555862058.db2.gz QAVFCVZATIHAMQ-RPLLCQBOSA-N 1 1 431.649 5.094 50 0 IKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)c1 ZINC000002917727 555862752 /nfs/dbraw/zinc/86/27/52/555862752.db2.gz KOOYNMZLBRIKGB-RPWUZVMVSA-N 1 1 442.906 5.153 50 0 IKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)c1 ZINC000002917725 555862778 /nfs/dbraw/zinc/86/27/78/555862778.db2.gz KOOYNMZLBRIKGB-ZEQRLZLVSA-N 1 1 442.906 5.153 50 0 IKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000002917904 555863099 /nfs/dbraw/zinc/86/30/99/555863099.db2.gz LMDQPAJOZJBVBM-ZEQRLZLVSA-N 1 1 442.906 5.153 50 0 IKAAMO Cc1ccc(O[C@@H](CC[NH+]2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000034728587 555868579 /nfs/dbraw/zinc/86/85/79/555868579.db2.gz LAEJPVFKCAKJGR-MHZLTWQESA-N 1 1 435.011 5.976 50 0 IKAAMO C[N@@H+](CC[C@@H](Oc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000034728479 555868706 /nfs/dbraw/zinc/86/87/06/555868706.db2.gz MEIDFSKYSGUDDH-OAQYLSRUSA-N 1 1 427.903 5.850 50 0 IKAAMO Cc1cccc(CNC(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000034730009 555869736 /nfs/dbraw/zinc/86/97/36/555869736.db2.gz JHQVUGNWRIBZBM-UHFFFAOYSA-N 1 1 449.545 5.286 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740318 555883243 /nfs/dbraw/zinc/88/32/43/555883243.db2.gz AWVONRIQQGFJOA-LADGPHEKSA-N 1 1 428.642 5.113 50 0 IKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC2=CCCCC2)c1 ZINC000002715123 556130258 /nfs/dbraw/zinc/13/02/58/556130258.db2.gz NDIULLOHOQAYQQ-UHFFFAOYSA-N 1 1 428.967 7.043 50 0 IKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2)c1 ZINC000002714839 556130279 /nfs/dbraw/zinc/13/02/79/556130279.db2.gz LIDMXWDPIOZFKD-UHFFFAOYSA-N 1 1 444.460 6.718 50 0 IKAAMO C[C@H]1CC[C@]2(C)[C@@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@@H]3CC(=O)[C@H]2C1 ZINC000008438783 556174855 /nfs/dbraw/zinc/17/48/55/556174855.db2.gz YSOKTNCRCPDOCA-NFRWQEDTSA-N 1 1 427.673 5.162 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008626842 556193849 /nfs/dbraw/zinc/19/38/49/556193849.db2.gz HUEIIWBYDFCOBA-LBPRGKRZSA-N 1 1 427.458 5.275 50 0 IKAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000008771690 556213634 /nfs/dbraw/zinc/21/36/34/556213634.db2.gz YKGZEKDUDOKSPX-SFHVURJKSA-N 1 1 434.348 5.732 50 0 IKAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ZINC000008771690 556213639 /nfs/dbraw/zinc/21/36/39/556213639.db2.gz YKGZEKDUDOKSPX-SFHVURJKSA-N 1 1 434.348 5.732 50 0 IKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000008913970 556231962 /nfs/dbraw/zinc/23/19/62/556231962.db2.gz QFANSAHOUVUNCO-BJKOFHAPSA-N 1 1 426.907 5.453 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000008913971 556232066 /nfs/dbraw/zinc/23/20/66/556232066.db2.gz QFANSAHOUVUNCO-RPWUZVMVSA-N 1 1 426.907 5.453 50 0 IKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000008913972 556232149 /nfs/dbraw/zinc/23/21/49/556232149.db2.gz QFANSAHOUVUNCO-ZEQRLZLVSA-N 1 1 426.907 5.453 50 0 IKAAMO CCCCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000009428449 556290884 /nfs/dbraw/zinc/29/08/84/556290884.db2.gz PEAWUHWNJQBCHS-AREMUKBSSA-N 1 1 448.607 5.232 50 0 IKAAMO Cc1cc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl ZINC000013749431 556298825 /nfs/dbraw/zinc/29/88/25/556298825.db2.gz FZJAVIZYHQOMGR-UHFFFAOYSA-N 1 1 448.994 5.269 50 0 IKAAMO COc1cc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)ccc1OCc1ccccc1 ZINC000009763575 556308685 /nfs/dbraw/zinc/30/86/85/556308685.db2.gz TYZUSUXKNZIZJW-UHFFFAOYSA-N 1 1 437.583 6.519 50 0 IKAAMO CC[NH+]1CCN([C@@H](c2sccc2C)c2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000022920970 556340288 /nfs/dbraw/zinc/34/02/88/556340288.db2.gz CREQXPHUTWNMTI-HXUWFJFHSA-N 1 1 443.638 5.307 50 0 IKAAMO CCN1CC[NH+]([C@@H](c2sccc2C)c2c(C)c(C)sc2NC(=O)c2ccco2)CC1 ZINC000022920970 556340292 /nfs/dbraw/zinc/34/02/92/556340292.db2.gz CREQXPHUTWNMTI-HXUWFJFHSA-N 1 1 443.638 5.307 50 0 IKAAMO O=C(c1ccccc1OC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)N1CCCCC1 ZINC000011662542 556343920 /nfs/dbraw/zinc/34/39/20/556343920.db2.gz WVKBNOHXTQRPHK-UHFFFAOYSA-N 1 1 446.513 5.375 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)cc1Cl ZINC000011753850 556348876 /nfs/dbraw/zinc/34/88/76/556348876.db2.gz HEEHSYGBBMQSBC-INIZCTEOSA-N 1 1 436.021 5.559 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)cc1Cl ZINC000011753850 556348881 /nfs/dbraw/zinc/34/88/81/556348881.db2.gz HEEHSYGBBMQSBC-INIZCTEOSA-N 1 1 436.021 5.559 50 0 IKAAMO CCc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000011764496 556349621 /nfs/dbraw/zinc/34/96/21/556349621.db2.gz DOUKWMQQECUBNC-JOCHJYFZSA-N 1 1 439.563 5.038 50 0 IKAAMO COC(=O)c1sc2nc(C[N@@H+](C)C3CCCCC3)ccc2c1NC(=O)c1ccccc1 ZINC000011787269 556353909 /nfs/dbraw/zinc/35/39/09/556353909.db2.gz MLRZSESKGUZPIV-UHFFFAOYSA-N 1 1 437.565 5.100 50 0 IKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](CC[C@H](C)c2ccccc2)C3)c1OC ZINC000011815673 556358704 /nfs/dbraw/zinc/35/87/04/556358704.db2.gz JVUTYFVODYYMPZ-FQEVSTJZSA-N 1 1 447.575 5.768 50 0 IKAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCC[C@@H](COc4cccc(F)c4)C3)c(C)o2)c1 ZINC000011817974 556360520 /nfs/dbraw/zinc/36/05/20/556360520.db2.gz JELHWQANQIKVNZ-GOSISDBHSA-N 1 1 440.515 5.097 50 0 IKAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000014071068 556361063 /nfs/dbraw/zinc/36/10/63/556361063.db2.gz WBSFZQZSBMCBBX-LJQANCHMSA-N 1 1 434.609 5.105 50 0 IKAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCCC2)cc1 ZINC000014071068 556361067 /nfs/dbraw/zinc/36/10/67/556361067.db2.gz WBSFZQZSBMCBBX-LJQANCHMSA-N 1 1 434.609 5.105 50 0 IKAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc4cc(NC(C)=O)ccc4n3)C2)cc1 ZINC000011820824 556362330 /nfs/dbraw/zinc/36/23/30/556362330.db2.gz YHCQXDHKCFYIIV-FQEVSTJZSA-N 1 1 433.577 5.010 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000011822113 556363337 /nfs/dbraw/zinc/36/33/37/556363337.db2.gz ZRODOPSSDNYMBX-SFHVURJKSA-N 1 1 439.943 5.414 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)cc1 ZINC000011873133 556369347 /nfs/dbraw/zinc/36/93/47/556369347.db2.gz MAYYLILRSYRNJK-FQEVSTJZSA-N 1 1 436.502 5.491 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)F)C2)c(C)c1 ZINC000011944308 556379938 /nfs/dbraw/zinc/37/99/38/556379938.db2.gz RRLKYHCKDSUQNS-SFHVURJKSA-N 1 1 432.511 5.236 50 0 IKAAMO Clc1ccc2nc(CN(Cc3cccnc3)CC3CC[NH+](C4CCCC4)CC3)ccc2c1 ZINC000011938438 556379975 /nfs/dbraw/zinc/37/99/75/556379975.db2.gz OTLWHEZBNCJGOB-UHFFFAOYSA-N 1 1 449.042 5.940 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@H+](Cc2nc(C(C)C)cs2)C1 ZINC000012003491 556386279 /nfs/dbraw/zinc/38/62/79/556386279.db2.gz JMPMZMWBUVDQSN-MRXNPFEDSA-N 1 1 436.021 5.559 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(C(C)C)cs2)C1 ZINC000012003491 556386280 /nfs/dbraw/zinc/38/62/80/556386280.db2.gz JMPMZMWBUVDQSN-MRXNPFEDSA-N 1 1 436.021 5.559 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@H+](Cc2nc(C(C)C)cs2)C1 ZINC000012003485 556386407 /nfs/dbraw/zinc/38/64/07/556386407.db2.gz JMPMZMWBUVDQSN-INIZCTEOSA-N 1 1 436.021 5.559 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)cs2)C1 ZINC000012003485 556386408 /nfs/dbraw/zinc/38/64/08/556386408.db2.gz JMPMZMWBUVDQSN-INIZCTEOSA-N 1 1 436.021 5.559 50 0 IKAAMO COc1cccc(-c2nc3cc(F)ccc3cc2C[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000012025911 556387708 /nfs/dbraw/zinc/38/77/08/556387708.db2.gz GCMXMJWVWVJHDW-HFZDXXHNSA-N 1 1 433.571 5.404 50 0 IKAAMO O=C(NCCCOc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1)c1cccc(F)c1 ZINC000012034363 556389213 /nfs/dbraw/zinc/38/92/13/556389213.db2.gz WMWISZMJALTTHK-UHFFFAOYSA-N 1 1 444.550 5.314 50 0 IKAAMO O=C(c1cc2sccc2[nH]1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000012429294 556404308 /nfs/dbraw/zinc/40/43/08/556404308.db2.gz PVQRHGCLQIEXOX-FQEVSTJZSA-N 1 1 436.625 5.312 50 0 IKAAMO Clc1ccccc1-c1ccc(C[NH+]2CCN(Cc3nnc(-c4ccco4)o3)CC2)s1 ZINC000027903687 556434951 /nfs/dbraw/zinc/43/49/51/556434951.db2.gz SAVBYNOXQOORRS-UHFFFAOYSA-N 1 1 440.956 5.029 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)no2)cc1F ZINC000027989871 556439762 /nfs/dbraw/zinc/43/97/62/556439762.db2.gz BFMLGIGKZHKATK-JOCHJYFZSA-N 1 1 441.934 5.400 50 0 IKAAMO C[NH+](C)[C@@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c21)c1ccccc1Cl ZINC000013031430 556442577 /nfs/dbraw/zinc/44/25/77/556442577.db2.gz LSGUKRXOARVYCQ-IBGZPJMESA-N 1 1 443.403 6.380 50 0 IKAAMO COc1ccc(C[NH2+][C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC ZINC000013031984 556442870 /nfs/dbraw/zinc/44/28/70/556442870.db2.gz WIESXFQUYYDXDU-QFIPXVFZSA-N 1 1 444.453 5.192 50 0 IKAAMO C[N@@H+](CCC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 ZINC000014879934 556453290 /nfs/dbraw/zinc/45/32/90/556453290.db2.gz BUJNNSLAQOJDTF-IJKYLVERSA-N 1 1 430.583 5.384 50 0 IKAAMO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000014990494 556474667 /nfs/dbraw/zinc/47/46/67/556474667.db2.gz GGQKTMJTMBGNSS-UHFFFAOYSA-N 1 1 442.584 6.027 50 0 IKAAMO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000072284693 556475438 /nfs/dbraw/zinc/47/54/38/556475438.db2.gz RBMVZSFJPPPQDV-LJQANCHMSA-N 1 1 441.881 5.339 50 0 IKAAMO Cc1nc(-c2ccc(C[NH2+][C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)s2)cs1 ZINC000013128043 556477036 /nfs/dbraw/zinc/47/70/36/556477036.db2.gz PVMGHMROWWABQH-HSZRJFAPSA-N 1 1 433.602 5.958 50 0 IKAAMO Cc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccncc4)ncc3-c3ccccc3C)C2)s1 ZINC000014998581 556479013 /nfs/dbraw/zinc/47/90/13/556479013.db2.gz CSHUFAPXFNMMKU-JOCHJYFZSA-N 1 1 440.616 6.264 50 0 IKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)c(C)c1 ZINC000015064118 556491836 /nfs/dbraw/zinc/49/18/36/556491836.db2.gz LOAANVXDJJHHIO-HXUWFJFHSA-N 1 1 432.568 5.025 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)c(C)c1 ZINC000015064117 556491872 /nfs/dbraw/zinc/49/18/72/556491872.db2.gz LOAANVXDJJHHIO-FQEVSTJZSA-N 1 1 432.568 5.025 50 0 IKAAMO COc1ccc(F)c(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000015064566 556492157 /nfs/dbraw/zinc/49/21/57/556492157.db2.gz WMBPBXQHCNXEAE-QFIPXVFZSA-N 1 1 425.592 5.276 50 0 IKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000015070485 556495472 /nfs/dbraw/zinc/49/54/72/556495472.db2.gz AFWCYYWXXRTLNY-SFHVURJKSA-N 1 1 428.960 5.182 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)cc1 ZINC000015071330 556496186 /nfs/dbraw/zinc/49/61/86/556496186.db2.gz PAPPXRHZSSNDHO-HXUWFJFHSA-N 1 1 436.502 5.491 50 0 IKAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000015072306 556496754 /nfs/dbraw/zinc/49/67/54/556496754.db2.gz SDHFESDREQRGMW-QHCPKHFHSA-N 1 1 442.538 5.083 50 0 IKAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000015072306 556496757 /nfs/dbraw/zinc/49/67/57/556496757.db2.gz SDHFESDREQRGMW-QHCPKHFHSA-N 1 1 442.538 5.083 50 0 IKAAMO COc1ccc(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)cc1OCc1ccccc1 ZINC000004553786 556502936 /nfs/dbraw/zinc/50/29/36/556502936.db2.gz CQIVRYQFSZRDIP-UHFFFAOYSA-N 1 1 430.592 5.371 50 0 IKAAMO O=C(Nc1cc(Cl)cc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013466443 556507191 /nfs/dbraw/zinc/50/71/91/556507191.db2.gz ZVRLJFORGYVJRM-UHFFFAOYSA-N 1 1 440.374 5.933 50 0 IKAAMO Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)[NH+]2CCCCC2)o1 ZINC000015860413 556558544 /nfs/dbraw/zinc/55/85/44/556558544.db2.gz JZBXXPISENLAHG-GOSISDBHSA-N 1 1 445.357 5.362 50 0 IKAAMO C[C@H](NC(=O)C[NH2+]C(c1cccs1)c1cccs1)c1ccc(Br)cc1 ZINC000072308149 556564042 /nfs/dbraw/zinc/56/40/42/556564042.db2.gz HSVWUCVZJVWMIG-ZDUSSCGKSA-N 1 1 435.412 5.129 50 0 IKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 ZINC000033850958 556568769 /nfs/dbraw/zinc/56/87/69/556568769.db2.gz CPVHOEXRGVOAQJ-UPVQGACJSA-N 1 1 432.391 5.719 50 0 IKAAMO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022938312 556580842 /nfs/dbraw/zinc/58/08/42/556580842.db2.gz YNAYZMYUMOLCKV-SANMLTNESA-N 1 1 439.559 5.330 50 0 IKAAMO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000022938312 556580845 /nfs/dbraw/zinc/58/08/45/556580845.db2.gz YNAYZMYUMOLCKV-SANMLTNESA-N 1 1 439.559 5.330 50 0 IKAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C(c2ccccc2)c2ccccc2)CC1 ZINC000016383801 556604039 /nfs/dbraw/zinc/60/40/39/556604039.db2.gz XKZUYTUOOGYCMS-UHFFFAOYSA-N 1 1 433.983 5.253 50 0 IKAAMO COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546900 556613683 /nfs/dbraw/zinc/61/36/83/556613683.db2.gz WZGNUYXDTPXDFE-JOCHJYFZSA-N 1 1 433.533 5.815 50 0 IKAAMO COc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546909 556613771 /nfs/dbraw/zinc/61/37/71/556613771.db2.gz ONRORRQQNJIMHK-JOCHJYFZSA-N 1 1 433.533 5.815 50 0 IKAAMO Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2ccccn2)[nH+]1 ZINC000038547402 556614030 /nfs/dbraw/zinc/61/40/30/556614030.db2.gz LCNPJHUIYZXNNF-QHCPKHFHSA-N 1 1 444.560 5.772 50 0 IKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccc(Cl)c2)c(NC(=O)c2ccco2)s1 ZINC000038546947 556614057 /nfs/dbraw/zinc/61/40/57/556614057.db2.gz URQBUHUDCRNFQU-OAQYLSRUSA-N 1 1 437.952 6.460 50 0 IKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038550999 556614274 /nfs/dbraw/zinc/61/42/74/556614274.db2.gz LRQKFHQBOACSNQ-QHCPKHFHSA-N 1 1 431.536 6.353 50 0 IKAAMO Cc1cccc(N[C@H](c2c3c(sc2NC(=O)c2ccco2)CCCC3)c2cccnc2)[nH+]1 ZINC000038547409 556614286 /nfs/dbraw/zinc/61/42/86/556614286.db2.gz MELFJXAEQWTMHO-QHCPKHFHSA-N 1 1 444.560 5.772 50 0 IKAAMO Cc1cc[nH+]c(N[C@@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)c1 ZINC000038551040 556614585 /nfs/dbraw/zinc/61/45/85/556614585.db2.gz MYAQVWMLHKGVST-XMMPIXPASA-N 1 1 443.572 6.377 50 0 IKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccccc2)s1 ZINC000038551025 556614661 /nfs/dbraw/zinc/61/46/61/556614661.db2.gz WHGNAFAWCYSPPK-DEOSSOPVSA-N 1 1 427.573 6.522 50 0 IKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2F)c(NC(=O)c2ccccc2)s1 ZINC000038551015 556614718 /nfs/dbraw/zinc/61/47/18/556614718.db2.gz MXMOHRMARIKQKW-QHCPKHFHSA-N 1 1 431.536 6.353 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000005044147 556627017 /nfs/dbraw/zinc/62/70/17/556627017.db2.gz YWGHDLAHDZQWFG-LJQANCHMSA-N 1 1 429.992 5.354 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)NC2CCC(C)CC2)C1 ZINC000005044190 556627133 /nfs/dbraw/zinc/62/71/33/556627133.db2.gz DIILNPYLFHOKIC-IPFXWSOASA-N 1 1 429.992 5.210 50 0 IKAAMO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(OC)c1OC ZINC000039479202 556629127 /nfs/dbraw/zinc/62/91/27/556629127.db2.gz DYIJWMHLSHPQJV-QGZVFWFLSA-N 1 1 431.536 5.211 50 0 IKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000248061992 556660131 /nfs/dbraw/zinc/66/01/31/556660131.db2.gz DONBNZOENJWJPE-AHWVRZQESA-N 1 1 432.633 5.823 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c(OC)c1OC ZINC000043136052 556661059 /nfs/dbraw/zinc/66/10/59/556661059.db2.gz ZSMYPPSJGIUZBJ-QGZVFWFLSA-N 1 1 441.959 5.136 50 0 IKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+]([C@@H]1CCc3ccccc3C1)CC2 ZINC000043159166 556661260 /nfs/dbraw/zinc/66/12/60/556661260.db2.gz GCHICBJQVBZXBS-YIXXDRMTSA-N 1 1 433.979 5.862 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1C ZINC000017099663 556664907 /nfs/dbraw/zinc/66/49/07/556664907.db2.gz YEOWOZUMXQNNED-UHFFFAOYSA-N 1 1 435.571 5.477 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2F)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248124896 556668159 /nfs/dbraw/zinc/66/81/59/556668159.db2.gz ZWCOCJLHTMXBGQ-AHKZPQOWSA-N 1 1 444.594 5.901 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248182762 556675736 /nfs/dbraw/zinc/67/57/36/556675736.db2.gz FTEMDHPRYDJKCC-URXFXBBRSA-N 1 1 428.642 5.113 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)o1 ZINC000248231967 556676576 /nfs/dbraw/zinc/67/65/76/556676576.db2.gz LAYZZVWVEAYMPA-XCZPVHLTSA-N 1 1 444.619 5.910 50 0 IKAAMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@@H]12 ZINC000248264818 556677718 /nfs/dbraw/zinc/67/77/18/556677718.db2.gz XLGCRVRNEPZDCK-WYZBVHOTSA-N 1 1 445.007 5.074 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(Nc2ccnc(-c3ccc(F)cc3)n2)c1 ZINC000033025211 556699390 /nfs/dbraw/zinc/69/93/90/556699390.db2.gz IPODMYQPTIZTQE-LJQANCHMSA-N 1 1 447.558 5.021 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000019147427 556707245 /nfs/dbraw/zinc/70/72/45/556707245.db2.gz NWRTZBYKDZKCLG-NRFANRHFSA-N 1 1 431.458 5.009 50 0 IKAAMO COc1cccc(-c2nc(C[NH+]3CCC(Oc4ccccc4Cl)CC3)c(C)o2)c1OC ZINC000019218506 556713375 /nfs/dbraw/zinc/71/33/75/556713375.db2.gz NLVWFPPOTKPBAH-UHFFFAOYSA-N 1 1 442.943 5.364 50 0 IKAAMO Brc1ccc(-c2csc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1 ZINC000055214640 556737902 /nfs/dbraw/zinc/73/79/02/556737902.db2.gz PSPLFOKUVODUJI-QPJJXVBHSA-N 1 1 440.410 5.408 50 0 IKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cc2ccccc2o1 ZINC000055545144 556741900 /nfs/dbraw/zinc/74/19/00/556741900.db2.gz NTUHTDJBXGWTSP-UHFFFAOYSA-N 1 1 429.495 5.146 50 0 IKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cc2ccccc2o1 ZINC000055529216 556741908 /nfs/dbraw/zinc/74/19/08/556741908.db2.gz FKTPCVQURMDDSP-UHFFFAOYSA-N 1 1 445.950 5.661 50 0 IKAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H]3c3nc4ccccc4s3)cc2)cc1 ZINC000058169679 556767663 /nfs/dbraw/zinc/76/76/63/556767663.db2.gz VJLXNBPWOCOYHR-HSZRJFAPSA-N 1 1 443.572 5.894 50 0 IKAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H]3c3nc4ccccc4s3)cc2)cc1 ZINC000058169679 556767667 /nfs/dbraw/zinc/76/76/67/556767667.db2.gz VJLXNBPWOCOYHR-HSZRJFAPSA-N 1 1 443.572 5.894 50 0 IKAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000072032908 556775870 /nfs/dbraw/zinc/77/58/70/556775870.db2.gz OUEWIPPYMIGYSS-UHFFFAOYSA-N 1 1 442.853 5.006 50 0 IKAAMO CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058268053 556776978 /nfs/dbraw/zinc/77/69/78/556776978.db2.gz TVXJLUHLHGEDOK-FQEVSTJZSA-N 1 1 433.518 5.021 50 0 IKAAMO CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058268053 556776981 /nfs/dbraw/zinc/77/69/81/556776981.db2.gz TVXJLUHLHGEDOK-FQEVSTJZSA-N 1 1 433.518 5.021 50 0 IKAAMO CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058268053 556776984 /nfs/dbraw/zinc/77/69/84/556776984.db2.gz TVXJLUHLHGEDOK-FQEVSTJZSA-N 1 1 433.518 5.021 50 0 IKAAMO FC(F)Oc1ccc(Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cc1 ZINC000003299065 556811219 /nfs/dbraw/zinc/81/12/19/556811219.db2.gz YCODAPXSDFFJGO-UHFFFAOYSA-N 1 1 430.524 5.511 50 0 IKAAMO COc1ccc(CC[N@@H+](C)[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)cc1OC ZINC000034362914 556823385 /nfs/dbraw/zinc/82/33/85/556823385.db2.gz UAICRBQQFGDXAR-OAQYLSRUSA-N 1 1 440.008 6.280 50 0 IKAAMO Cc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 ZINC000033068952 556836529 /nfs/dbraw/zinc/83/65/29/556836529.db2.gz ARDKVJQXEYNGTC-UHFFFAOYSA-N 1 1 429.589 5.146 50 0 IKAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3c4c(sc3n2)CCCC4)cc1 ZINC000033068952 556836530 /nfs/dbraw/zinc/83/65/30/556836530.db2.gz ARDKVJQXEYNGTC-UHFFFAOYSA-N 1 1 429.589 5.146 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000067692131 556846016 /nfs/dbraw/zinc/84/60/16/556846016.db2.gz VOWWRIXMJYJISM-RUZDIDTESA-N 1 1 437.543 5.807 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)c2cccnc2)C1 ZINC000067692131 556846019 /nfs/dbraw/zinc/84/60/19/556846019.db2.gz VOWWRIXMJYJISM-RUZDIDTESA-N 1 1 437.543 5.807 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21 ZINC000004675850 556872453 /nfs/dbraw/zinc/87/24/53/556872453.db2.gz KHSSZKQIUQCZAX-HSZRJFAPSA-N 1 1 429.608 5.903 50 0 IKAAMO O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000033141654 556877948 /nfs/dbraw/zinc/87/79/48/556877948.db2.gz KCMJNZGMVKCUSG-UHFFFAOYSA-N 1 1 431.483 5.052 50 0 IKAAMO O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000033141654 556877951 /nfs/dbraw/zinc/87/79/51/556877951.db2.gz KCMJNZGMVKCUSG-UHFFFAOYSA-N 1 1 431.483 5.052 50 0 IKAAMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2Nc2ccnc3c2cccc3C(F)(F)F)C1 ZINC000071770916 556888099 /nfs/dbraw/zinc/88/80/99/556888099.db2.gz UHAUAYGYPVRSST-MRXNPFEDSA-N 1 1 442.485 5.211 50 0 IKAAMO Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)c3)ncn2)cc1 ZINC000033261041 556898473 /nfs/dbraw/zinc/89/84/73/556898473.db2.gz NJVGPMZKAKFLOA-NRFANRHFSA-N 1 1 443.595 5.190 50 0 IKAAMO Fc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4n[nH]cc4-c4c(F)cccc4F)C3)cn2)cc1 ZINC000019794968 556915920 /nfs/dbraw/zinc/91/59/20/556915920.db2.gz CLJRWMKVSMLGHD-KRWDZBQOSA-N 1 1 437.469 5.059 50 0 IKAAMO Clc1ccccc1[C@H]1C2=C([NH+]=C3N=CNN31)c1ccccc1O[C@@H]2c1ccccc1Cl ZINC000019799282 556916970 /nfs/dbraw/zinc/91/69/70/556916970.db2.gz ZQUHRYQPJMGUNJ-XZOQPEGZSA-N 1 1 447.325 5.798 50 0 IKAAMO CCOc1ccccc1O[C@H](CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019802166 556917871 /nfs/dbraw/zinc/91/78/71/556917871.db2.gz SJZMMVNKRFNDPW-AREMUKBSSA-N 1 1 430.592 5.413 50 0 IKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cc(OC)ccc1OC ZINC000019841347 556929835 /nfs/dbraw/zinc/92/98/35/556929835.db2.gz KUMJMHXPCWQTMQ-UHFFFAOYSA-N 1 1 449.547 5.076 50 0 biogenic IKAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c(Cl)c1 ZINC000019892141 556939866 /nfs/dbraw/zinc/93/98/66/556939866.db2.gz PNEVKSZDOBTZKD-PKTZIBPZSA-N 1 1 447.325 5.798 50 0 IKAAMO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3Cl)CC2)cc1Cl ZINC000019908858 556942591 /nfs/dbraw/zinc/94/25/91/556942591.db2.gz BOTZTPZHUIUQLN-HXUWFJFHSA-N 1 1 445.390 5.017 50 0 IKAAMO O=C(c1cc2cc(Cl)ccc2[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019913576 556943710 /nfs/dbraw/zinc/94/37/10/556943710.db2.gz FLKGBZQACIDHGH-UHFFFAOYSA-N 1 1 429.951 5.369 50 0 IKAAMO CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020080375 556978687 /nfs/dbraw/zinc/97/86/87/556978687.db2.gz HJNCBDHDAKZBFK-UHFFFAOYSA-N 1 1 425.623 5.243 50 0 IKAAMO CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[N@H+](Cc1ccccc1)C3 ZINC000020080375 556978690 /nfs/dbraw/zinc/97/86/90/556978690.db2.gz HJNCBDHDAKZBFK-UHFFFAOYSA-N 1 1 425.623 5.243 50 0 IKAAMO O=c1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2scc(-c3ccccc3)n21 ZINC000033268794 556985732 /nfs/dbraw/zinc/98/57/32/556985732.db2.gz WUURYJXHDMANFJ-UHFFFAOYSA-N 1 1 437.568 5.625 50 0 IKAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(F)cc3)csc2n1 ZINC000033268805 556986058 /nfs/dbraw/zinc/98/60/58/556986058.db2.gz HXPYMWDJVDFVPG-UHFFFAOYSA-N 1 1 427.932 5.238 50 0 IKAAMO COCC[N@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268857 556986099 /nfs/dbraw/zinc/98/60/99/556986099.db2.gz ZKNHZNIVCWXJGR-UHFFFAOYSA-N 1 1 447.604 5.195 50 0 IKAAMO COCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268857 556986101 /nfs/dbraw/zinc/98/61/01/556986101.db2.gz ZKNHZNIVCWXJGR-UHFFFAOYSA-N 1 1 447.604 5.195 50 0 IKAAMO COc1ccccc1OCCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020118556 556987040 /nfs/dbraw/zinc/98/70/40/556987040.db2.gz LIVWJOWBAOASLL-UHFFFAOYSA-N 1 1 430.592 5.261 50 0 IKAAMO O=C(c1cc(-c2ccc(F)cc2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020137388 556988425 /nfs/dbraw/zinc/98/84/25/556988425.db2.gz AOOBPGMQYNYYNV-UHFFFAOYSA-N 1 1 441.506 5.028 50 0 IKAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc4c(cccc4NC(C)=O)n3)C2)cc1 ZINC000020166720 556994098 /nfs/dbraw/zinc/99/40/98/556994098.db2.gz BAOHHHPXTCOJRR-IBGZPJMESA-N 1 1 433.577 5.010 50 0 IKAAMO O=C(c1nc2sccn2c1C[N@H+]1CCC[C@H](c2ccccc2)C1)N1CCCCCCC1 ZINC000020210240 556998776 /nfs/dbraw/zinc/99/87/76/556998776.db2.gz GGMBDMXTFTXZHT-NRFANRHFSA-N 1 1 436.625 5.182 50 0 IKAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)cc1OC ZINC000020351161 557009106 /nfs/dbraw/zinc/00/91/06/557009106.db2.gz ATTHSMBIXSOKOI-AWEZNQCLSA-N 1 1 447.913 5.405 50 0 IKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cccc(C)c3n2)cc1C ZINC000020418349 557014784 /nfs/dbraw/zinc/01/47/84/557014784.db2.gz ZJAXLYBPZAVNGJ-UHFFFAOYSA-N 1 1 449.598 5.785 50 0 IKAAMO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@@H+]2Cc2c[nH]c3ccccc23)cc1 ZINC000020432014 557016162 /nfs/dbraw/zinc/01/61/62/557016162.db2.gz ZQULYNPKHXTJFS-QFIPXVFZSA-N 1 1 428.479 6.276 50 0 IKAAMO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@H+]2Cc2ccc3c(c2)CCO3)cc1 ZINC000020432021 557016239 /nfs/dbraw/zinc/01/62/39/557016239.db2.gz ZJAGZDMDUITZRK-QFIPXVFZSA-N 1 1 431.479 5.729 50 0 IKAAMO FC(F)(F)Oc1ccc([C@H]2c3ccsc3CC[N@@H+]2Cc2ccc3c(c2)CCO3)cc1 ZINC000020432021 557016247 /nfs/dbraw/zinc/01/62/47/557016247.db2.gz ZJAGZDMDUITZRK-QFIPXVFZSA-N 1 1 431.479 5.729 50 0 IKAAMO Cc1cccc(N[C@@H](c2ccsc2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1 ZINC000043220775 557023302 /nfs/dbraw/zinc/02/33/02/557023302.db2.gz RRJZFMCSUOIQEL-QFIPXVFZSA-N 1 1 449.601 6.439 50 0 IKAAMO CC(C)C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032266 557024778 /nfs/dbraw/zinc/02/47/78/557024778.db2.gz PBRHNEVZVVVADZ-UHFFFAOYSA-N 1 1 445.032 5.510 50 0 IKAAMO CCCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(C)cc3)cc2=O)s1 ZINC000046032344 557024797 /nfs/dbraw/zinc/02/47/97/557024797.db2.gz LSPIMHQEMFLLNE-UHFFFAOYSA-N 1 1 432.593 5.004 50 0 IKAAMO CCCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C)cc3)cc2=O)s1 ZINC000046032344 557024799 /nfs/dbraw/zinc/02/47/99/557024799.db2.gz LSPIMHQEMFLLNE-UHFFFAOYSA-N 1 1 432.593 5.004 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)/C=C\c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288758 557045693 /nfs/dbraw/zinc/04/56/93/557045693.db2.gz MQWDGLHECQAMSF-SEYXRHQNSA-N 1 1 445.613 6.055 50 0 IKAAMO CC[N@H+]1CCc2c(sc(NC(=O)/C=C\c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288758 557045696 /nfs/dbraw/zinc/04/56/96/557045696.db2.gz MQWDGLHECQAMSF-SEYXRHQNSA-N 1 1 445.613 6.055 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)CCc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288771 557045753 /nfs/dbraw/zinc/04/57/53/557045753.db2.gz GJPBDOBGVATDPW-UHFFFAOYSA-N 1 1 447.629 5.974 50 0 IKAAMO CC[N@H+]1CCc2c(sc(NC(=O)CCc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000017288771 557045756 /nfs/dbraw/zinc/04/57/56/557045756.db2.gz GJPBDOBGVATDPW-UHFFFAOYSA-N 1 1 447.629 5.974 50 0 IKAAMO C[N@@H+](Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CCCCC1 ZINC000048287207 557052949 /nfs/dbraw/zinc/05/29/49/557052949.db2.gz PAMXQSVQUZGMTD-UHFFFAOYSA-N 1 1 439.625 5.004 50 0 IKAAMO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Br ZINC000017312611 557055912 /nfs/dbraw/zinc/05/59/12/557055912.db2.gz RTRYSOIFJKAPNF-HNNXBMFYSA-N 1 1 443.772 6.206 50 0 IKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)nc(C)[nH+]3)cc2)cc1F ZINC000033326751 557108616 /nfs/dbraw/zinc/10/86/16/557108616.db2.gz QCESBSKCXZSAQW-UHFFFAOYSA-N 1 1 448.546 6.365 50 0 IKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(NC4CCCCC4)[nH+]c(C)n3)cc2)cc1F ZINC000033326751 557108620 /nfs/dbraw/zinc/10/86/20/557108620.db2.gz QCESBSKCXZSAQW-UHFFFAOYSA-N 1 1 448.546 6.365 50 0 IKAAMO CCCc1nc(-c2cc3cccc(C)c3nc2NCC[N@H+]2CCc3ccccc3C2)no1 ZINC000033331586 557115310 /nfs/dbraw/zinc/11/53/10/557115310.db2.gz MUPRJQZPZQUDBV-UHFFFAOYSA-N 1 1 427.552 5.016 50 0 IKAAMO COc1c2c(cc3c1[C@@H](CC(=O)C1CCCCCCCCCCC1)[N@H+](C)CC3)OCO2 ZINC000049586664 557116615 /nfs/dbraw/zinc/11/66/15/557116615.db2.gz URAXPBQLFVGQED-OAQYLSRUSA-N 1 1 429.601 5.833 50 0 biogenic IKAAMO COc1c2c(cc3c1[C@@H](CC(=O)C1CCCCCCCCCCC1)[N@@H+](C)CC3)OCO2 ZINC000049586664 557116620 /nfs/dbraw/zinc/11/66/20/557116620.db2.gz URAXPBQLFVGQED-OAQYLSRUSA-N 1 1 429.601 5.833 50 0 biogenic IKAAMO C[N@H+](Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S)C1C2CC3CC(C2)CC1C3 ZINC000024657529 557157667 /nfs/dbraw/zinc/15/76/67/557157667.db2.gz LOFOOFMYIBOGLO-UHFFFAOYSA-N 1 1 449.599 5.318 50 0 IKAAMO C[N@@H+](Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S)C1C2CC3CC(C2)CC1C3 ZINC000024657529 557157672 /nfs/dbraw/zinc/15/76/72/557157672.db2.gz LOFOOFMYIBOGLO-UHFFFAOYSA-N 1 1 449.599 5.318 50 0 IKAAMO CCOc1ccccc1NC(=O)[C@H](Nc1ccc([NH+]2CCCCC2)cc1)c1ccccc1 ZINC000024843414 557168293 /nfs/dbraw/zinc/16/82/93/557168293.db2.gz OYOMQARXXLVTDW-AREMUKBSSA-N 1 1 429.564 5.868 50 0 IKAAMO Fc1ccc(OCc2nc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)cs2)cc1 ZINC000024971431 557184017 /nfs/dbraw/zinc/18/40/17/557184017.db2.gz LBSGWBCBPSXUBA-MRXNPFEDSA-N 1 1 439.581 5.851 50 0 IKAAMO Fc1ccc(OCc2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)cs2)cc1 ZINC000024971431 557184022 /nfs/dbraw/zinc/18/40/22/557184022.db2.gz LBSGWBCBPSXUBA-MRXNPFEDSA-N 1 1 439.581 5.851 50 0 IKAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl ZINC000011563523 557201126 /nfs/dbraw/zinc/20/11/26/557201126.db2.gz BGBAYYPOMIRUOG-QFIPXVFZSA-N 1 1 446.938 5.090 50 0 IKAAMO O=C(c1ccc(OC(F)(F)F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025265286 557201703 /nfs/dbraw/zinc/20/17/03/557201703.db2.gz OYQIQFNLJWEUFQ-UHFFFAOYSA-N 1 1 440.465 5.133 50 0 IKAAMO CCCCCc1ccc(C(=O)Nc2ccc3[nH]cc(CC[N@@H+](C)C4CCCCC4)c3c2)cc1 ZINC000023317521 557216403 /nfs/dbraw/zinc/21/64/03/557216403.db2.gz NBCYTPJCAKZOJA-UHFFFAOYSA-N 1 1 445.651 6.960 50 0 IKAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1 ZINC000025783838 557226406 /nfs/dbraw/zinc/22/64/06/557226406.db2.gz ODGAOMDKZCQZCD-GOTSBHOMSA-N 1 1 447.325 5.798 50 0 IKAAMO C[N@H+](CCO)CC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000011692718 557232151 /nfs/dbraw/zinc/23/21/51/557232151.db2.gz KHIILCXFNVMUAX-UHFFFAOYSA-N 1 1 445.950 5.085 50 0 IKAAMO C[N@@H+](CCO)CC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 ZINC000011692718 557232156 /nfs/dbraw/zinc/23/21/56/557232156.db2.gz KHIILCXFNVMUAX-UHFFFAOYSA-N 1 1 445.950 5.085 50 0 IKAAMO C[C@H](c1nn(CN2CCC[C@@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000026240784 557237808 /nfs/dbraw/zinc/23/78/08/557237808.db2.gz JIXVFDDGRDNDAW-IIBYNOLFSA-N 1 1 443.567 5.099 50 0 IKAAMO CC[NH+](CC)CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023322134 557253925 /nfs/dbraw/zinc/25/39/25/557253925.db2.gz GYWIKBAYCOIFOB-UHFFFAOYSA-N 1 1 431.367 5.122 50 0 IKAAMO COc1cc(OC)cc(C(=O)Nc2ccc3[nH]cc(CC[N@@H+](C)C4CCCCC4)c3c2)c1 ZINC000023322233 557256543 /nfs/dbraw/zinc/25/65/43/557256543.db2.gz JNMXBNUPLBSHAB-UHFFFAOYSA-N 1 1 435.568 5.244 50 0 IKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000101343531 557279444 /nfs/dbraw/zinc/27/94/44/557279444.db2.gz INXGAHHQCIHNOR-IICWPQHPSA-N 1 1 443.631 6.897 50 0 IKAAMO C[C@H]1CC[C@]2(C)[C@@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@@H](C)CC[C@@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000101084934 557282771 /nfs/dbraw/zinc/28/27/71/557282771.db2.gz YSOKTNCRCPDOCA-IKBKPTEGSA-N 1 1 427.673 5.162 50 0 IKAAMO O=C(Nc1ccc(F)c(F)c1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023325739 557308944 /nfs/dbraw/zinc/30/89/44/557308944.db2.gz VULPZUNRRMBBSZ-UHFFFAOYSA-N 1 1 425.454 5.043 50 0 IKAAMO O=C(Nc1c(F)cc(F)cc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023326615 557312558 /nfs/dbraw/zinc/31/25/58/557312558.db2.gz RPGZMZFBGCMWTD-UHFFFAOYSA-N 1 1 425.454 5.043 50 0 IKAAMO CCOP(=O)(OCC)[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[NH+]1CCCCC1 ZINC000058002238 557314907 /nfs/dbraw/zinc/31/49/07/557314907.db2.gz DYXCUYFLLIJQRH-QFIPXVFZSA-N 1 1 439.577 6.738 50 0 biogenic IKAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc1 ZINC000033268827 557328603 /nfs/dbraw/zinc/32/86/03/557328603.db2.gz KABLVIRYYXRAMC-UHFFFAOYSA-N 1 1 435.568 5.529 50 0 IKAAMO Cc1ccc(-c2cc(Nc3cccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3)ncn2)cc1 ZINC000033261040 557329755 /nfs/dbraw/zinc/32/97/55/557329755.db2.gz NJVGPMZKAKFLOA-OAQYLSRUSA-N 1 1 443.595 5.190 50 0 IKAAMO Cc1oc(C(C)(C)C)cc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000023328554 557338143 /nfs/dbraw/zinc/33/81/43/557338143.db2.gz XNTOLMZACOVYNX-AREMUKBSSA-N 1 1 430.592 5.741 50 0 IKAAMO COc1ccccc1C1CC[NH+](Cc2csc(Cc3ccc(F)cc3Cl)n2)CC1 ZINC000023329556 557339311 /nfs/dbraw/zinc/33/93/11/557339311.db2.gz HHEWKDHSXRDDBL-UHFFFAOYSA-N 1 1 430.976 5.915 50 0 IKAAMO CCC[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)CC1 ZINC000023332563 557345661 /nfs/dbraw/zinc/34/56/61/557345661.db2.gz BTQPAQDDXJJAJX-UHFFFAOYSA-N 1 1 443.378 5.218 50 0 IKAAMO CCC[N@H+](Cc1csc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)n1)CC1CC1 ZINC000023436871 557354280 /nfs/dbraw/zinc/35/42/80/557354280.db2.gz CRHYIJAHVLKYNJ-UHFFFAOYSA-N 1 1 446.538 6.998 50 0 IKAAMO C[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(-c4cccc(OC(F)(F)F)c4)c3)n2)C1 ZINC000023430702 557355157 /nfs/dbraw/zinc/35/51/57/557355157.db2.gz PWBHRVRXSNEEDE-MRXNPFEDSA-N 1 1 432.511 6.608 50 0 IKAAMO CC(C)n1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c2ccccc21 ZINC000257198744 557395361 /nfs/dbraw/zinc/39/53/61/557395361.db2.gz HRHOVZHGSNEKQV-WBUNXLNBSA-N 1 1 431.624 5.186 50 0 biogenic IKAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000104961408 557469481 /nfs/dbraw/zinc/46/94/81/557469481.db2.gz VBAFMKZWDHNJIH-UXHICEINSA-N 1 1 435.568 5.221 50 0 IKAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000104961408 557469485 /nfs/dbraw/zinc/46/94/85/557469485.db2.gz VBAFMKZWDHNJIH-UXHICEINSA-N 1 1 435.568 5.221 50 0 IKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105018706 557473056 /nfs/dbraw/zinc/47/30/56/557473056.db2.gz JSCJBEFSQAEKEV-XNMGPUDCSA-N 1 1 436.640 5.360 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccccc3C)C2)o1 ZINC000105042037 557473621 /nfs/dbraw/zinc/47/36/21/557473621.db2.gz ZCEGTUVNOFCGKF-RPLLCQBOSA-N 1 1 430.592 5.663 50 0 IKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000105049968 557473839 /nfs/dbraw/zinc/47/38/39/557473839.db2.gz AWVONRIQQGFJOA-VWNXMTODSA-N 1 1 428.642 5.113 50 0 IKAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000105049948 557473970 /nfs/dbraw/zinc/47/39/70/557473970.db2.gz VUAJCQXHVVSRPJ-RDGATRHJSA-N 1 1 440.628 5.261 50 0 IKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)oc1C ZINC000105050486 557474289 /nfs/dbraw/zinc/47/42/89/557474289.db2.gz CPBCGTTWUREHCM-WIOPSUGQSA-N 1 1 428.592 5.392 50 0 IKAAMO C[C@@H](c1nn(CN2CCC[C@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)[NH+](C)C ZINC000105948418 557512209 /nfs/dbraw/zinc/51/22/09/557512209.db2.gz JIXVFDDGRDNDAW-KKSFZXQISA-N 1 1 443.567 5.099 50 0 IKAAMO C[N@H+](CCO)CC(=O)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 ZINC000225849112 557784841 /nfs/dbraw/zinc/78/48/41/557784841.db2.gz CGFXAJLZIWHQSP-UHFFFAOYSA-N 1 1 445.950 5.085 50 0 IKAAMO C[N@@H+](CCO)CC(=O)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 ZINC000225849112 557784843 /nfs/dbraw/zinc/78/48/43/557784843.db2.gz CGFXAJLZIWHQSP-UHFFFAOYSA-N 1 1 445.950 5.085 50 0 IKAAMO CCc1ccc(Sc2cc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c3ccccc3n2)cc1 ZINC000002941380 562930983 /nfs/dbraw/zinc/93/09/83/562930983.db2.gz RLOSYNULPLNJGI-FQEVSTJZSA-N 1 1 447.648 5.800 50 0 IKAAMO Cc1cc(C)cc(Nc2cc(C(=O)NCCC[N@H+](C)C3CCCCC3)c3ccccc3n2)c1 ZINC000008595426 562953498 /nfs/dbraw/zinc/95/34/98/562953498.db2.gz OGTANSUXLIDPDX-UHFFFAOYSA-N 1 1 444.623 5.980 50 0 IKAAMO COc1ccc(CN2CCC([N@@H+](CCc3ccccc3)Cc3ccccc3)CC2)c(OC)c1 ZINC000009933468 562977805 /nfs/dbraw/zinc/97/78/05/562977805.db2.gz IOMRUVGLZCUFRT-UHFFFAOYSA-N 1 1 444.619 5.413 50 0 IKAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH+]2CCN(c3ccccn3)CC2)c(C)s1 ZINC000011844003 562979650 /nfs/dbraw/zinc/97/96/50/562979650.db2.gz KXEYVFAGHLNOEV-UHFFFAOYSA-N 1 1 447.583 5.074 50 0 IKAAMO CCn1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c1C ZINC000014949064 563015584 /nfs/dbraw/zinc/01/55/84/563015584.db2.gz PZHQTEVQGUAXTM-JOCHJYFZSA-N 1 1 441.579 5.210 50 0 IKAAMO Fc1ccc([C@H]([NH2+]CCc2ccc(Cl)cc2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178251 563023921 /nfs/dbraw/zinc/02/39/21/563023921.db2.gz BWHZLWDRAYGMFV-NRFANRHFSA-N 1 1 442.321 6.104 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)[nH+]2)c2cccs2)c1C ZINC000038547539 563097977 /nfs/dbraw/zinc/09/79/77/563097977.db2.gz GBCAQCPCCOUMDX-QFIPXVFZSA-N 1 1 433.602 6.584 50 0 IKAAMO O=c1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000054105908 563142208 /nfs/dbraw/zinc/14/22/08/563142208.db2.gz YWBRTMOQSYWZLU-UHFFFAOYSA-N 1 1 446.934 5.141 50 0 IKAAMO O[C@H](C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000104983666 568623001 /nfs/dbraw/zinc/62/30/01/568623001.db2.gz RXGRISKPTXXVQF-ILBGXUMGSA-N 1 1 438.930 5.208 50 0 IKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000969894 568647311 /nfs/dbraw/zinc/64/73/11/568647311.db2.gz UGBBWRMDBUNWAC-ZEQRLZLVSA-N 1 1 444.897 5.592 50 0 IKAAMO CCn1c2ccccc2c2cc([P@@](=[NH+]c3ccccc3)(N3CCCC3)C(C)(C)C)ccc21 ZINC000012639679 568761055 /nfs/dbraw/zinc/76/10/55/568761055.db2.gz STUOLAWXUNLGIB-JGCGQSQUSA-N 1 1 443.575 7.782 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 ZINC000004124952 568780832 /nfs/dbraw/zinc/78/08/32/568780832.db2.gz YEDHIURUHGJSEK-XMMPIXPASA-N 1 1 442.588 5.558 50 0 IKAAMO Cc1nc(-c2cccc(NC(=O)NCc3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)c2)oc1C ZINC000084061823 568790809 /nfs/dbraw/zinc/79/08/09/568790809.db2.gz RFQHWHJURFGLCC-GOSISDBHSA-N 1 1 432.568 5.512 50 0 IKAAMO Cc1ccccc1Cn1cc(CCC(=O)NCCC[N@H+](C)C2CCCCC2)c2ccccc21 ZINC000015678424 568805188 /nfs/dbraw/zinc/80/51/88/568805188.db2.gz BIAWYVKACKXNGM-UHFFFAOYSA-N 1 1 445.651 5.701 50 0 IKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)c1 ZINC000001447550 568817663 /nfs/dbraw/zinc/81/76/63/568817663.db2.gz BIUBSRZFWGNIHV-LJQANCHMSA-N 1 1 438.453 5.697 50 0 IKAAMO COc1cccc(C[N@@H+](C[C@@H](O)COc2ccccc2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000006051578 568819687 /nfs/dbraw/zinc/81/96/87/568819687.db2.gz DTGUXZWHHOWIRO-JJXGVTDJSA-N 1 1 435.608 5.214 50 0 IKAAMO CC(C)(C)c1cc(CCC(=O)Nc2c3c([nH+]c4c2CCCC4)CCC3)cc(C(C)(C)C)c1O ZINC000006075304 568821125 /nfs/dbraw/zinc/82/11/25/568821125.db2.gz LQUIPSJIOLDWPL-UHFFFAOYSA-N 1 1 448.651 6.321 50 0 IKAAMO COc1ccc(-c2nc3ccccc3c(NC[C@@H]3CC[N@@H+](Cc4ccc(C)cc4)C3)n2)cc1 ZINC000015781621 568826003 /nfs/dbraw/zinc/82/60/03/568826003.db2.gz JHXIDWJAFFXEIN-QFIPXVFZSA-N 1 1 438.575 5.548 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Nc2ccnc(-c3cccc(F)c3)n2)cc1 ZINC000085649818 568831301 /nfs/dbraw/zinc/83/13/01/568831301.db2.gz FWUFKMHHZSQPSQ-IBGZPJMESA-N 1 1 447.558 5.021 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000085651188 568831826 /nfs/dbraw/zinc/83/18/26/568831826.db2.gz FSLZWKFHGWETOG-IBGZPJMESA-N 1 1 440.975 5.609 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(Cl)cc2)n1 ZINC000085651187 568831879 /nfs/dbraw/zinc/83/18/79/568831879.db2.gz FSLZWKFHGWETOG-LJQANCHMSA-N 1 1 440.975 5.609 50 0 IKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019597052 568836936 /nfs/dbraw/zinc/83/69/36/568836936.db2.gz VNNNUWKZMXUHTF-UHFFFAOYSA-N 1 1 440.374 5.933 50 0 IKAAMO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)N1CCCC[C@H]1c1nccs1 ZINC000104522493 568837522 /nfs/dbraw/zinc/83/75/22/568837522.db2.gz UOIYYTHRBJOCPP-LADGPHEKSA-N 1 1 447.604 5.223 50 0 IKAAMO COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[N@@H+](C(C)C)C2 ZINC000015823475 568840221 /nfs/dbraw/zinc/84/02/21/568840221.db2.gz RYGSGDRLOTXEHO-UHFFFAOYSA-N 1 1 448.997 5.422 50 0 IKAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1OC ZINC000015862345 568848628 /nfs/dbraw/zinc/84/86/28/568848628.db2.gz KHJIPLSACIETLF-UHFFFAOYSA-N 1 1 442.559 5.365 50 0 IKAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000015864825 568850291 /nfs/dbraw/zinc/85/02/91/568850291.db2.gz BVXUHMRTSUPLRM-DEOSSOPVSA-N 1 1 446.641 6.800 50 0 IKAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCc2c3c(sc2[C@@H]1c1ccccc1)CCCC3 ZINC000015864825 568850292 /nfs/dbraw/zinc/85/02/92/568850292.db2.gz BVXUHMRTSUPLRM-DEOSSOPVSA-N 1 1 446.641 6.800 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](Cc1nc(-c3ccc(C)cc3)oc1C)[C@H]2c1ccccc1 ZINC000015864878 568850343 /nfs/dbraw/zinc/85/03/43/568850343.db2.gz FTEXZDQPZDDIIW-SANMLTNESA-N 1 1 442.628 7.038 50 0 IKAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000026121124 568852278 /nfs/dbraw/zinc/85/22/78/568852278.db2.gz KOOOOPRIKRXZAU-UHFFFAOYSA-N 1 1 441.373 5.057 50 0 IKAAMO Cc1nn2c(nc(C[N@H+](Cc3c(F)cccc3Cl)[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2=O)s1 ZINC000229766227 568886864 /nfs/dbraw/zinc/88/68/64/568886864.db2.gz NBVDQWMITURYPV-LAPQFRIASA-N 1 1 448.995 5.079 50 0 IKAAMO Cc1nn2c(nc(C[N@@H+](Cc3c(F)cccc3Cl)[C@@H]3CCC[C@@H](C)[C@@H]3C)cc2=O)s1 ZINC000229766227 568886866 /nfs/dbraw/zinc/88/68/66/568886866.db2.gz NBVDQWMITURYPV-LAPQFRIASA-N 1 1 448.995 5.079 50 0 IKAAMO CC1=C(c2ccccc2)[N@@H+](Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000001879468 568917390 /nfs/dbraw/zinc/91/73/90/568917390.db2.gz VDDUSYQXSVDMQA-LOYHVIPDSA-N 1 1 443.590 7.216 50 0 IKAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)c1ccc(COc2ccc(F)cc2)o1 ZINC000064658738 568942004 /nfs/dbraw/zinc/94/20/04/568942004.db2.gz NFEQYDDBVXMLTB-UHFFFAOYSA-N 1 1 442.490 5.766 50 0 IKAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)c1ccc(COc2ccc(F)cc2)o1 ZINC000064658738 568942006 /nfs/dbraw/zinc/94/20/06/568942006.db2.gz NFEQYDDBVXMLTB-UHFFFAOYSA-N 1 1 442.490 5.766 50 0 IKAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065586 568945297 /nfs/dbraw/zinc/94/52/97/568945297.db2.gz VBAFMKZWDHNJIH-PMACEKPBSA-N 1 1 435.568 5.221 50 0 IKAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)N[C@@H](C)c3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065586 568945298 /nfs/dbraw/zinc/94/52/98/568945298.db2.gz VBAFMKZWDHNJIH-PMACEKPBSA-N 1 1 435.568 5.221 50 0 IKAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069135 568945489 /nfs/dbraw/zinc/94/54/89/568945489.db2.gz FFMQXSPOBFMTJS-INIZCTEOSA-N 1 1 449.473 5.263 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069135 568945492 /nfs/dbraw/zinc/94/54/92/568945492.db2.gz FFMQXSPOBFMTJS-INIZCTEOSA-N 1 1 449.473 5.263 50 0 IKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)c(C)c1 ZINC000064801397 568961043 /nfs/dbraw/zinc/96/10/43/568961043.db2.gz VGLGYMZOKTUEST-UHFFFAOYSA-N 1 1 444.583 6.534 50 0 IKAAMO CCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064800938 568961336 /nfs/dbraw/zinc/96/13/36/568961336.db2.gz WUZRZGAXRQOVCJ-UHFFFAOYSA-N 1 1 431.540 5.170 50 0 IKAAMO CSc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064801519 568961455 /nfs/dbraw/zinc/96/14/55/568961455.db2.gz ADIHBPQSDWCEPR-UHFFFAOYSA-N 1 1 448.596 5.885 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801534 568961587 /nfs/dbraw/zinc/96/15/87/568961587.db2.gz PFYNHNDKFRDMKJ-UHFFFAOYSA-N 1 1 438.482 5.441 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccs2)c2cccs2)o1)Cc1sccc1C ZINC000036202305 568972427 /nfs/dbraw/zinc/97/24/27/568972427.db2.gz OOIQFOGCCAIQRL-UHFFFAOYSA-N 1 1 443.659 6.469 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(OC)c2)c1C[N@@H+](C[C@H](O)CC)CC1CC1 ZINC000036302636 568993660 /nfs/dbraw/zinc/99/36/60/568993660.db2.gz GWGZVHOSJLTFMG-JOCHJYFZSA-N 1 1 449.595 5.219 50 0 IKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302172 568994015 /nfs/dbraw/zinc/99/40/15/568994015.db2.gz QWGDRIVIWGVXPP-QFIPXVFZSA-N 1 1 437.584 5.355 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036301880 568994079 /nfs/dbraw/zinc/99/40/79/568994079.db2.gz OPRGQAFSMZTEGP-QGZVFWFLSA-N 1 1 443.975 5.228 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C[C@H](O)CC ZINC000036303783 568994235 /nfs/dbraw/zinc/99/42/35/568994235.db2.gz GBCBREMMUQBBOL-OAQYLSRUSA-N 1 1 427.976 5.609 50 0 IKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036304618 568994691 /nfs/dbraw/zinc/99/46/91/568994691.db2.gz CFMWBCFZEFKIPH-HSZRJFAPSA-N 1 1 449.595 5.355 50 0 IKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](O)C(C)C ZINC000036305880 568995317 /nfs/dbraw/zinc/99/53/17/568995317.db2.gz FXQIWDXUSCPBSP-JOCHJYFZSA-N 1 1 437.584 5.117 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036305954 568995388 /nfs/dbraw/zinc/99/53/88/568995388.db2.gz MWAIDVJGAHOOSZ-NRFANRHFSA-N 1 1 437.584 5.117 50 0 IKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036313763 568998717 /nfs/dbraw/zinc/99/87/17/568998717.db2.gz YIRIDVQUPQTVFP-RUZDIDTESA-N 1 1 447.623 6.045 50 0 IKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036313990 568998972 /nfs/dbraw/zinc/99/89/72/568998972.db2.gz LHTKJBFVDPEZAT-HSZRJFAPSA-N 1 1 435.612 5.889 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)CC)CC1CC1 ZINC000036316487 568999860 /nfs/dbraw/zinc/99/98/60/568999860.db2.gz PPWAQGBWRKFYPA-NRFANRHFSA-N 1 1 437.559 5.349 50 0 IKAAMO CCC[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)CC ZINC000036316470 568999886 /nfs/dbraw/zinc/99/98/86/568999886.db2.gz CGUCTVWBKNQQSH-HXUWFJFHSA-N 1 1 425.548 5.349 50 0 IKAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341061 569079101 /nfs/dbraw/zinc/07/91/01/569079101.db2.gz ZSSVTTOPTXXYJL-RUZDIDTESA-N 1 1 447.966 5.158 50 0 IKAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341061 569079102 /nfs/dbraw/zinc/07/91/02/569079102.db2.gz ZSSVTTOPTXXYJL-RUZDIDTESA-N 1 1 447.966 5.158 50 0 IKAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341153 569079169 /nfs/dbraw/zinc/07/91/69/569079169.db2.gz SPEUIBQAPKGHSK-RUZDIDTESA-N 1 1 447.966 5.158 50 0 IKAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341153 569079170 /nfs/dbraw/zinc/07/91/70/569079170.db2.gz SPEUIBQAPKGHSK-RUZDIDTESA-N 1 1 447.966 5.158 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340987 569079175 /nfs/dbraw/zinc/07/91/75/569079175.db2.gz LVGFNJWEEPEFFM-AREMUKBSSA-N 1 1 445.994 5.767 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340987 569079176 /nfs/dbraw/zinc/07/91/76/569079176.db2.gz LVGFNJWEEPEFFM-AREMUKBSSA-N 1 1 445.994 5.767 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342143 569079658 /nfs/dbraw/zinc/07/96/58/569079658.db2.gz QVDJKSKZNVBTDG-RUZDIDTESA-N 1 1 441.575 5.746 50 0 IKAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)Cc1ccccc1 ZINC000036342143 569079659 /nfs/dbraw/zinc/07/96/59/569079659.db2.gz QVDJKSKZNVBTDG-RUZDIDTESA-N 1 1 441.575 5.746 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](CC(C)C)C[C@H](C)O ZINC000036341949 569079674 /nfs/dbraw/zinc/07/96/74/569079674.db2.gz MXIHQBJMGYJUDK-SFHVURJKSA-N 1 1 427.976 5.465 50 0 IKAAMO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036343577 569079912 /nfs/dbraw/zinc/07/99/12/569079912.db2.gz ZNGZXJROEDJAJH-HHHXNRCGSA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036343577 569079914 /nfs/dbraw/zinc/07/99/14/569079914.db2.gz ZNGZXJROEDJAJH-HHHXNRCGSA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c1 ZINC000036345015 569080478 /nfs/dbraw/zinc/08/04/78/569080478.db2.gz PFAHHAGKLMFRMJ-MHZLTWQESA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3C)C2)c1 ZINC000036345015 569080479 /nfs/dbraw/zinc/08/04/79/569080479.db2.gz PFAHHAGKLMFRMJ-MHZLTWQESA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345492 569080588 /nfs/dbraw/zinc/08/05/88/569080588.db2.gz MDZZGQLEDNUUSK-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3F)C2)c(C)c1 ZINC000036345492 569080590 /nfs/dbraw/zinc/08/05/90/569080590.db2.gz MDZZGQLEDNUUSK-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO COc1ccccc1[C@@H]1CC(c2ccc(C)cc2C)=NN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC000036345343 569080630 /nfs/dbraw/zinc/08/06/30/569080630.db2.gz UUVLNDQEGMBCQK-SANMLTNESA-N 1 1 441.575 5.122 50 0 IKAAMO COc1ccccc1[C@@H]1CC(c2ccc(C)cc2C)=NN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000036345343 569080631 /nfs/dbraw/zinc/08/06/31/569080631.db2.gz UUVLNDQEGMBCQK-SANMLTNESA-N 1 1 441.575 5.122 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345518 569080635 /nfs/dbraw/zinc/08/06/35/569080635.db2.gz PWFLDNVVIHEOKL-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345518 569080637 /nfs/dbraw/zinc/08/06/37/569080637.db2.gz PWFLDNVVIHEOKL-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3F)C2)c1 ZINC000036345517 569080700 /nfs/dbraw/zinc/08/07/00/569080700.db2.gz PWFLDNVVIHEOKL-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3F)C2)c1 ZINC000036345517 569080701 /nfs/dbraw/zinc/08/07/01/569080701.db2.gz PWFLDNVVIHEOKL-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000036345674 569080836 /nfs/dbraw/zinc/08/08/36/569080836.db2.gz QBKPNMCBUBPTJP-HHHXNRCGSA-N 1 1 441.575 5.122 50 0 IKAAMO COc1cccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000036345674 569080837 /nfs/dbraw/zinc/08/08/37/569080837.db2.gz QBKPNMCBUBPTJP-HHHXNRCGSA-N 1 1 441.575 5.122 50 0 IKAAMO CCCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036346044 569080867 /nfs/dbraw/zinc/08/08/67/569080867.db2.gz NIGOJVDDXKJGLD-JOCHJYFZSA-N 1 1 439.575 5.875 50 0 IKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346086 569080893 /nfs/dbraw/zinc/08/08/93/569080893.db2.gz KSFFZJWNFKOAMB-JOCHJYFZSA-N 1 1 437.559 5.485 50 0 IKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C1CC1 ZINC000036346013 569080932 /nfs/dbraw/zinc/08/09/32/569080932.db2.gz LLANFBRWELVTCH-QFIPXVFZSA-N 1 1 437.559 5.628 50 0 IKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC(C)C ZINC000036346223 569081071 /nfs/dbraw/zinc/08/10/71/569081071.db2.gz YAQXCEJGLGXAAC-QFIPXVFZSA-N 1 1 425.548 5.341 50 0 IKAAMO CCCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346371 569081075 /nfs/dbraw/zinc/08/10/75/569081075.db2.gz IRCKNPSLJQZOHV-HSZRJFAPSA-N 1 1 439.575 5.875 50 0 IKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346422 569081239 /nfs/dbraw/zinc/08/12/39/569081239.db2.gz URYJXRSUUCKHEY-HSZRJFAPSA-N 1 1 437.559 5.485 50 0 IKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346794 569081351 /nfs/dbraw/zinc/08/13/51/569081351.db2.gz MTFAWIREHLAKGH-XMMPIXPASA-N 1 1 449.639 6.197 50 0 IKAAMO Cc1ccc(Cn2cc(CCC(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc32)cc1 ZINC000006858138 569091145 /nfs/dbraw/zinc/09/11/45/569091145.db2.gz LAIOKXNUSPSULS-QHCPKHFHSA-N 1 1 431.624 5.311 50 0 IKAAMO CC(C)CC[C@@H](NC(=O)NC1CCCC1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877439 569095955 /nfs/dbraw/zinc/09/59/55/569095955.db2.gz HKXRXIICZVWCRC-HXUWFJFHSA-N 1 1 428.646 5.246 50 0 IKAAMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000036397532 569100165 /nfs/dbraw/zinc/10/01/65/569100165.db2.gz LUNNRLYDPIBOQQ-ZDUSSCGKSA-N 1 1 449.885 5.289 50 0 IKAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000036397533 569100208 /nfs/dbraw/zinc/10/02/08/569100208.db2.gz LUNNRLYDPIBOQQ-CYBMUJFWSA-N 1 1 449.885 5.289 50 0 IKAAMO C[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@@H]1CCCc2ccccc21 ZINC000006906552 569105814 /nfs/dbraw/zinc/10/58/14/569105814.db2.gz SWALGPRZWCNYDD-LEAFIULHSA-N 1 1 429.604 5.762 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000006913219 569106911 /nfs/dbraw/zinc/10/69/11/569106911.db2.gz PUPCOGGUMHUMBM-RUZDIDTESA-N 1 1 431.624 5.691 50 0 IKAAMO O=C(Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1)Nc1ccccc1F ZINC000065320924 569136398 /nfs/dbraw/zinc/13/63/98/569136398.db2.gz WPNJECFARFEJJE-UHFFFAOYSA-N 1 1 442.494 5.522 50 0 IKAAMO CC(C)CC(=O)Nc1ccc(-c2csc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065553990 569139743 /nfs/dbraw/zinc/13/97/43/569139743.db2.gz ABLKGEZCMPZTHA-QHCPKHFHSA-N 1 1 435.593 5.368 50 0 IKAAMO CC(C)CC(=O)Nc1ccc(-c2csc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000065553990 569139744 /nfs/dbraw/zinc/13/97/44/569139744.db2.gz ABLKGEZCMPZTHA-QHCPKHFHSA-N 1 1 435.593 5.368 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662093 569160991 /nfs/dbraw/zinc/16/09/91/569160991.db2.gz GCSKBMGZXBBUQY-WOJBJXKFSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000089662093 569160992 /nfs/dbraw/zinc/16/09/92/569160992.db2.gz GCSKBMGZXBBUQY-WOJBJXKFSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662153 569161009 /nfs/dbraw/zinc/16/10/09/569161009.db2.gz NYMNHIOZXYHXJA-RBUKOAKNSA-N 1 1 446.979 5.144 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2Cl)o1 ZINC000089662153 569161010 /nfs/dbraw/zinc/16/10/10/569161010.db2.gz NYMNHIOZXYHXJA-RBUKOAKNSA-N 1 1 446.979 5.144 50 0 IKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2-c2nc3ccccc3s2)C1 ZINC000016916135 569166190 /nfs/dbraw/zinc/16/61/90/569166190.db2.gz XGYSDJVERWJYGI-UHFFFAOYSA-N 1 1 441.528 5.543 50 0 IKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2-c2nc3ccccc3s2)C1 ZINC000016916135 569166191 /nfs/dbraw/zinc/16/61/91/569166191.db2.gz XGYSDJVERWJYGI-UHFFFAOYSA-N 1 1 441.528 5.543 50 0 IKAAMO C[N@@H+]1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000016916128 569166270 /nfs/dbraw/zinc/16/62/70/569166270.db2.gz XOZVAFPWUHETIL-UHFFFAOYSA-N 1 1 435.574 5.030 50 0 IKAAMO C[N@H+]1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000016916128 569166271 /nfs/dbraw/zinc/16/62/71/569166271.db2.gz XOZVAFPWUHETIL-UHFFFAOYSA-N 1 1 435.574 5.030 50 0 IKAAMO Cc1ccc(-c2cn3c4ccc(C(=O)NCCC[N@@H+]5CCCC[C@@H]5C)cc4sc3n2)cc1 ZINC000009406355 569182968 /nfs/dbraw/zinc/18/29/68/569182968.db2.gz GEMWCHOJUHMABM-IBGZPJMESA-N 1 1 446.620 5.519 50 0 IKAAMO C[C@]12CC[C@@H]3c4ccc(OC(=O)CC[N@H+]5CCCC(C)(C)C5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000002129878 569184257 /nfs/dbraw/zinc/18/42/57/569184257.db2.gz KDYPCXIDBCQDOZ-DFIMXKNXSA-N 1 1 437.624 5.529 50 0 biogenic IKAAMO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1Cl ZINC000027348228 569191397 /nfs/dbraw/zinc/19/13/97/569191397.db2.gz YOYXVXHAYFSKBT-IBGZPJMESA-N 1 1 432.351 5.000 50 0 IKAAMO COc1cc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000037523898 569198708 /nfs/dbraw/zinc/19/87/08/569198708.db2.gz GWUSFVKGOQMROL-SANMLTNESA-N 1 1 448.607 5.807 50 0 IKAAMO COc1cc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000037523898 569198709 /nfs/dbraw/zinc/19/87/09/569198709.db2.gz GWUSFVKGOQMROL-SANMLTNESA-N 1 1 448.607 5.807 50 0 IKAAMO O=C(c1ccccc1F)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587925 569202079 /nfs/dbraw/zinc/20/20/79/569202079.db2.gz UYPZYYAYLMGZGO-UHFFFAOYSA-N 1 1 442.456 5.554 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc(F)cc2)cc1Cl ZINC000002974956 569213029 /nfs/dbraw/zinc/21/30/29/569213029.db2.gz CIHIMQVFNYIURQ-UHFFFAOYSA-N 1 1 442.925 6.801 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 ZINC000002251800 569214119 /nfs/dbraw/zinc/21/41/19/569214119.db2.gz PLRPYOYQYJRQAL-FGZHOGPDSA-N 1 1 432.936 5.514 50 0 IKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1cccc(OC)c1 ZINC000027531067 569265719 /nfs/dbraw/zinc/26/57/19/569265719.db2.gz QFILAZDOFCAJFI-GKIKGMKOSA-N 1 1 443.631 6.897 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]([N@H+](Cc2cncnc2)Cc2cccc(Cl)c2F)CC1 ZINC000241157289 569268966 /nfs/dbraw/zinc/26/89/66/569268966.db2.gz JWLYWFQKQHWPAP-IBGZPJMESA-N 1 1 448.970 5.061 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](Cc2cncnc2)Cc2cccc(Cl)c2F)CC1 ZINC000241157289 569268968 /nfs/dbraw/zinc/26/89/68/569268968.db2.gz JWLYWFQKQHWPAP-IBGZPJMESA-N 1 1 448.970 5.061 50 0 IKAAMO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OC[N@H+]2C1 ZINC000245238224 569269559 /nfs/dbraw/zinc/26/95/59/569269559.db2.gz GRMUAQMHJKQVFL-JKQNTIISSA-N 1 1 427.673 5.629 50 0 biogenic IKAAMO C[C@H]1CC[C@]2(C)[C@@H]3C[C@@H]4[C@H](CC[C@@H]5[C@@H]4C[N@H+]4C[C@@H](C)CC[C@H]4[C@@]5(C)O)[C@H]3CC(=O)[C@H]2C1 ZINC000247694634 569269979 /nfs/dbraw/zinc/26/99/79/569269979.db2.gz YSOKTNCRCPDOCA-TYCRDEJFSA-N 1 1 427.673 5.162 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O ZINC000248339234 569271069 /nfs/dbraw/zinc/27/10/69/569271069.db2.gz SKFHLRLOYXFONB-RXVVDRJESA-N 1 1 433.577 5.168 50 0 IKAAMO Clc1ccc(Oc2cccc(CN3CC[N@H+]4CCC[C@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000252469972 569271234 /nfs/dbraw/zinc/27/12/34/569271234.db2.gz CAUUZMHTQOKFAB-IZZNHLLZSA-N 1 1 425.016 6.361 50 0 IKAAMO CCCn1cc(CN(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)c(C)n1 ZINC000055108721 569288994 /nfs/dbraw/zinc/28/89/94/569288994.db2.gz FYMDJBDJSHJWJY-UHFFFAOYSA-N 1 1 445.655 5.219 50 0 IKAAMO CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc([NH+](CC)CC)cc2)c2nc3ccccc3nc12 ZINC000002375362 569289364 /nfs/dbraw/zinc/28/93/64/569289364.db2.gz LKDATXUJHDZDIC-QGZVFWFLSA-N 1 1 445.567 5.205 50 0 IKAAMO C[N@@H+]1C[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000008888309 569292113 /nfs/dbraw/zinc/29/21/13/569292113.db2.gz GYOAHBGWMYFOGR-ZWKOTPCHSA-N 1 1 434.750 6.435 50 0 IKAAMO C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013140056 569311661 /nfs/dbraw/zinc/31/16/61/569311661.db2.gz ZIEVHIDFSZVYFJ-RUZDIDTESA-N 1 1 436.621 5.136 50 0 IKAAMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000013140056 569311663 /nfs/dbraw/zinc/31/16/63/569311663.db2.gz ZIEVHIDFSZVYFJ-RUZDIDTESA-N 1 1 436.621 5.136 50 0 IKAAMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 ZINC000079026614 569322972 /nfs/dbraw/zinc/32/29/72/569322972.db2.gz DYDKWURQJLRDPZ-IBGZPJMESA-N 1 1 438.531 5.232 50 0 IKAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)cc1 ZINC000079045090 569323047 /nfs/dbraw/zinc/32/30/47/569323047.db2.gz ZQRZVUIDNIPUNT-CDXDBMBRSA-N 1 1 438.531 5.045 50 0 IKAAMO O=C(C[NH+]1CCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 ZINC000079060753 569323929 /nfs/dbraw/zinc/32/39/29/569323929.db2.gz RKNVZXZSAZYSCY-UHFFFAOYSA-N 1 1 441.962 6.257 50 0 IKAAMO Cc1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793701 569329452 /nfs/dbraw/zinc/32/94/52/569329452.db2.gz UJULZEYTCKBMMF-UHFFFAOYSA-N 1 1 437.587 5.052 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000019880203 569331634 /nfs/dbraw/zinc/33/16/34/569331634.db2.gz FMZHLCDGPJECMI-GGUMNFRJSA-N 1 1 434.605 5.816 50 0 IKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(C(=O)OCC)cc1 ZINC000020107630 569334239 /nfs/dbraw/zinc/33/42/39/569334239.db2.gz ZUUFNRWZJDPGTN-UHFFFAOYSA-N 1 1 447.670 5.246 50 0 IKAAMO COc1ccc(Cl)cc1NC(=S)N(CCC[N@H+]1CCC[C@@H](C)C1)Cc1ccco1 ZINC000020107776 569334317 /nfs/dbraw/zinc/33/43/17/569334317.db2.gz ZDBFJMCTADYOFO-QGZVFWFLSA-N 1 1 436.021 5.263 50 0 IKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)C1 ZINC000020116429 569335112 /nfs/dbraw/zinc/33/51/12/569335112.db2.gz ZROUVUQPTDRFQM-MRXNPFEDSA-N 1 1 428.001 5.469 50 0 IKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NCCc4ccc(C)cc4)C3)c(C)o2)cc1 ZINC000020240932 569357704 /nfs/dbraw/zinc/35/77/04/569357704.db2.gz HLAYSHFAHXNPDN-RUZDIDTESA-N 1 1 445.607 5.092 50 0 IKAAMO COc1cccc([C@]2(C)CC[N@@H+](CCC=C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1 ZINC000096027706 569380780 /nfs/dbraw/zinc/38/07/80/569380780.db2.gz VLVGEWFINOURNZ-MUUNZHRXSA-N 1 1 433.542 6.459 50 0 IKAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)/C=C\c2ccc(OCc3cccnc3)cc2)cc1 ZINC000096055652 569381129 /nfs/dbraw/zinc/38/11/29/569381129.db2.gz ZQRZVUIDNIPUNT-BHBFUXRTSA-N 1 1 438.531 5.045 50 0 IKAAMO Cc1ncc(C[N@H+](C)C2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116449 569383830 /nfs/dbraw/zinc/38/38/30/569383830.db2.gz DFPYFFVBERJHJC-UHFFFAOYSA-N 1 1 442.559 6.163 50 0 biogenic IKAAMO Cc1ccc(Nc2nc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc3occc32)cc1Cl ZINC000096323720 569395355 /nfs/dbraw/zinc/39/53/55/569395355.db2.gz WKMFGFAXCXAREO-MRXNPFEDSA-N 1 1 426.948 5.137 50 0 IKAAMO C[N@@H+]1[C@@H](c2ccccc2)SC2(c3ccccc3Sc3ccccc32)[C@H]1c1ccccc1 ZINC000096580374 569401651 /nfs/dbraw/zinc/40/16/51/569401651.db2.gz RFLHEKITURKEQY-KAYWLYCHSA-N 1 1 437.633 7.514 50 0 IKAAMO C[N@H+]1[C@@H](c2ccccc2)SC2(c3ccccc3Sc3ccccc32)[C@H]1c1ccccc1 ZINC000096580374 569401652 /nfs/dbraw/zinc/40/16/52/569401652.db2.gz RFLHEKITURKEQY-KAYWLYCHSA-N 1 1 437.633 7.514 50 0 IKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)c1 ZINC000002915245 569425067 /nfs/dbraw/zinc/42/50/67/569425067.db2.gz OCLBQSJMTUEIDD-DNQXCXABSA-N 1 1 442.906 5.153 50 0 IKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)c1 ZINC000002915241 569425103 /nfs/dbraw/zinc/42/51/03/569425103.db2.gz OCLBQSJMTUEIDD-ZEQRLZLVSA-N 1 1 442.906 5.153 50 0 IKAAMO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002915131 569425145 /nfs/dbraw/zinc/42/51/45/569425145.db2.gz JUJUXASPKXSVIW-ZEQRLZLVSA-N 1 1 426.907 5.453 50 0 IKAAMO Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000057015951 569429160 /nfs/dbraw/zinc/42/91/60/569429160.db2.gz KEBYHGNSWSGQQM-YKSBVNFPSA-N 1 1 434.609 5.130 50 0 IKAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000057270730 569430261 /nfs/dbraw/zinc/43/02/61/569430261.db2.gz RPFTTYQLAUUDEA-UHFFFAOYSA-N 1 1 443.591 5.132 50 0 IKAAMO COC[C@@H](C)Nc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002974809 569433516 /nfs/dbraw/zinc/43/35/16/569433516.db2.gz BXZBKXGDMSWAKS-OAHLLOKOSA-N 1 1 426.442 5.553 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(C)C2CCCCC2)cc1Cl ZINC000002975041 569433543 /nfs/dbraw/zinc/43/35/43/569433543.db2.gz LIRXWWMWHDEAJN-UHFFFAOYSA-N 1 1 430.983 6.818 50 0 IKAAMO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000002974920 569433562 /nfs/dbraw/zinc/43/35/62/569433562.db2.gz GGYIHUAHJDCRLH-WIYYLYMNSA-N 1 1 445.010 7.368 50 0 IKAAMO c1ccc(COc2ccc(-c3noc(C[NH+]4CCC(Cc5ccccc5)CC4)n3)cc2)cc1 ZINC000057427747 569434764 /nfs/dbraw/zinc/43/47/64/569434764.db2.gz KDFDQKLPZHHLNO-UHFFFAOYSA-N 1 1 439.559 5.770 50 0 IKAAMO C[C@@H]([NH2+][C@@H](c1cccs1)c1ccccc1)C(=O)Nc1ccc(Br)cc1F ZINC000057452444 569435334 /nfs/dbraw/zinc/43/53/34/569435334.db2.gz UALUEOHVMCIOCF-BFUOFWGJSA-N 1 1 433.346 5.356 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@@H](C)O)[C@H](C)CC ZINC000230115390 569438351 /nfs/dbraw/zinc/43/83/51/569438351.db2.gz FMQIQCHCXLBRLV-WOJBJXKFSA-N 1 1 437.584 5.217 50 0 IKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000003047627 569438670 /nfs/dbraw/zinc/43/86/70/569438670.db2.gz DTDSVJHUGZHVRB-OAQYLSRUSA-N 1 1 431.580 5.248 50 0 IKAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003363796 569448048 /nfs/dbraw/zinc/44/80/48/569448048.db2.gz VBXGOCLGQQNJCE-INIZCTEOSA-N 1 1 434.380 5.274 50 0 IKAAMO Cc1cc(C)c(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)c(C)c1 ZINC000003665576 569455996 /nfs/dbraw/zinc/45/59/96/569455996.db2.gz LSSRFMAFURQKJC-SFHVURJKSA-N 1 1 429.699 5.994 50 0 IKAAMO C[N@@H+](CCN1C(=O)c2ccccc2C1=O)[C@@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000008385771 569462663 /nfs/dbraw/zinc/46/26/63/569462663.db2.gz ZOLFQQCIFXIQCB-XMMPIXPASA-N 1 1 428.919 5.141 50 0 IKAAMO Cc1cc([C@@H](c2ccc(C(C)C)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546426 569463568 /nfs/dbraw/zinc/46/35/68/569463568.db2.gz PHVVBAKSPAKHJH-HSZRJFAPSA-N 1 1 437.609 5.362 50 0 IKAAMO CCc1cc([C@@H](c2ccccc2Cl)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546450 569463584 /nfs/dbraw/zinc/46/35/84/569463584.db2.gz XGLWFHLCLLBZOT-OAQYLSRUSA-N 1 1 444.000 5.146 50 0 IKAAMO CCc1cc([C@@H](c2cccc(Cl)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546448 569463590 /nfs/dbraw/zinc/46/35/90/569463590.db2.gz FPCURBIOIIGUAI-OAQYLSRUSA-N 1 1 444.000 5.146 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccccc2F)N2CC[NH+](C)CC2)c1C ZINC000038546740 569463672 /nfs/dbraw/zinc/46/36/72/569463672.db2.gz KLLVJCAKPJQWGP-OAQYLSRUSA-N 1 1 443.613 5.155 50 0 IKAAMO Cc1sc(NC(=O)c2cccs2)c([C@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c1C ZINC000038546739 569463708 /nfs/dbraw/zinc/46/37/08/569463708.db2.gz YXQRRCLXUFNMHY-NRFANRHFSA-N 1 1 443.613 5.155 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(OC)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547096 569463736 /nfs/dbraw/zinc/46/37/36/569463736.db2.gz QIDJKVVILYLLNJ-HSZRJFAPSA-N 1 1 447.560 6.069 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038547081 569463760 /nfs/dbraw/zinc/46/37/60/569463760.db2.gz DFYTVPMLKYVUCA-QFIPXVFZSA-N 1 1 433.602 6.529 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c1C ZINC000038547043 569463770 /nfs/dbraw/zinc/46/37/70/569463770.db2.gz YBXGDMGOAYDMSF-XMMPIXPASA-N 1 1 445.563 6.661 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547105 569463800 /nfs/dbraw/zinc/46/38/00/569463800.db2.gz YUOLVDSBNIMCHU-HSZRJFAPSA-N 1 1 447.560 6.069 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547774 569463834 /nfs/dbraw/zinc/46/38/34/569463834.db2.gz WLSOMEUTLIYMPC-JOCHJYFZSA-N 1 1 435.524 6.200 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547788 569463836 /nfs/dbraw/zinc/46/38/36/569463836.db2.gz DVSWCYVMYXLRNG-QFIPXVFZSA-N 1 1 435.524 6.200 50 0 IKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038547786 569463844 /nfs/dbraw/zinc/46/38/44/569463844.db2.gz DVSWCYVMYXLRNG-JOCHJYFZSA-N 1 1 435.524 6.200 50 0 IKAAMO COc1ccccc1[C@H](Nc1cccc(C)[nH+]1)c1c(C)c(C)sc1NC(=O)c1ccco1 ZINC000038547555 569463864 /nfs/dbraw/zinc/46/38/64/569463864.db2.gz ZEVLHMMNVWHRTG-QHCPKHFHSA-N 1 1 447.560 6.124 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038547794 569463900 /nfs/dbraw/zinc/46/39/00/569463900.db2.gz TVMRAFTYNHWPKU-JOCHJYFZSA-N 1 1 435.524 6.200 50 0 IKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547770 569463910 /nfs/dbraw/zinc/46/39/10/569463910.db2.gz LQEGYBKGADQTCN-JOCHJYFZSA-N 1 1 435.524 6.200 50 0 IKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547850 569463978 /nfs/dbraw/zinc/46/39/78/569463978.db2.gz DYSGLEPZWMAWPX-QHCPKHFHSA-N 1 1 431.561 6.369 50 0 IKAAMO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008734784 569472579 /nfs/dbraw/zinc/47/25/79/569472579.db2.gz XAZOUULJMXZULF-QFIPXVFZSA-N 1 1 427.592 5.456 50 0 IKAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]31)CC2 ZINC000008763182 569474439 /nfs/dbraw/zinc/47/44/39/569474439.db2.gz MAZWREUQDXJNBZ-SWNKSKJGSA-N 1 1 439.596 5.081 50 0 biogenic IKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000008825695 569477441 /nfs/dbraw/zinc/47/74/41/569477441.db2.gz NKWBWVSYMOZQIA-HXUWFJFHSA-N 1 1 436.836 5.968 50 0 IKAAMO Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000040040623 569483531 /nfs/dbraw/zinc/48/35/31/569483531.db2.gz OYSVRMSJDGECBY-UHFFFAOYSA-N 1 1 447.579 5.887 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 ZINC000008922875 569486955 /nfs/dbraw/zinc/48/69/55/569486955.db2.gz QAMZDHJBEHMXMD-HXUWFJFHSA-N 1 1 427.957 5.857 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 ZINC000008928038 569487359 /nfs/dbraw/zinc/48/73/59/569487359.db2.gz FBQHQKQSFUFZQW-IBGZPJMESA-N 1 1 448.375 6.122 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008928014 569487368 /nfs/dbraw/zinc/48/73/68/569487368.db2.gz MCQJHOTVEWZZJM-IBGZPJMESA-N 1 1 447.482 5.834 50 0 IKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 ZINC000008928015 569487386 /nfs/dbraw/zinc/48/73/86/569487386.db2.gz MCQJHOTVEWZZJM-LJQANCHMSA-N 1 1 447.482 5.834 50 0 IKAAMO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000040139322 569490835 /nfs/dbraw/zinc/49/08/35/569490835.db2.gz IEXZYJMPPPXKKR-RXVVDRJESA-N 1 1 442.987 5.116 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[C@H]2C)C1 ZINC000245258142 569501693 /nfs/dbraw/zinc/50/16/93/569501693.db2.gz LAPRBDWKIGWNPR-PBEJRMEISA-N 1 1 429.992 5.210 50 0 IKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1cccc(OC)c1 ZINC000245297207 569502454 /nfs/dbraw/zinc/50/24/54/569502454.db2.gz QFILAZDOFCAJFI-XAZDILKDSA-N 1 1 443.631 6.897 50 0 IKAAMO COc1cccc(NC(=O)[C@@H]2C[C@@H](c3ccccc3)C[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000040424917 569502870 /nfs/dbraw/zinc/50/28/70/569502870.db2.gz DBPHXVFOYLMSPT-NHCUHLMSSA-N 1 1 436.502 5.218 50 0 IKAAMO COc1cccc(NC(=O)[C@H]2C[C@H](c3ccccc3)C[N@@H+](Cc3ccc(F)cc3F)C2)c1 ZINC000040424915 569502876 /nfs/dbraw/zinc/50/28/76/569502876.db2.gz DBPHXVFOYLMSPT-SFTDATJTSA-N 1 1 436.502 5.218 50 0 IKAAMO CCCC[N@@H+](CCCNc1nc(C)nc2oc(C)c(C(=O)OCC)c21)Cc1ccccc1 ZINC000009227691 569513464 /nfs/dbraw/zinc/51/34/64/569513464.db2.gz KVRSIFCFWPKUHL-UHFFFAOYSA-N 1 1 438.572 5.121 50 0 IKAAMO Cc1ccc2c(c1)[nH]c(C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c2Sc1ccc(Cl)cc1 ZINC000009288286 569519385 /nfs/dbraw/zinc/51/93/85/569519385.db2.gz WJEVSNKSXSTWMO-KRWDZBQOSA-N 1 1 442.028 5.885 50 0 IKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]c2cc(OC)ccc2c1Sc1ccc(Cl)cc1 ZINC000009288593 569519444 /nfs/dbraw/zinc/51/94/44/569519444.db2.gz LIUXJLQNEGZXCT-MRXNPFEDSA-N 1 1 444.000 5.195 50 0 IKAAMO Cc1ccc2c(c1)C1=C([C@@H](c3ccc(C(C)C)cc3)O2)[C@@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000009293638 569520317 /nfs/dbraw/zinc/52/03/17/569520317.db2.gz HVVUEJNVKJTPPU-CLJLJLNGSA-N 1 1 435.531 5.318 50 0 IKAAMO C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000009390308 569528670 /nfs/dbraw/zinc/52/86/70/569528670.db2.gz CULGIHAOBXRZFM-OALUTQOASA-N 1 1 449.982 5.463 50 0 IKAAMO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000009390308 569528671 /nfs/dbraw/zinc/52/86/71/569528671.db2.gz CULGIHAOBXRZFM-OALUTQOASA-N 1 1 449.982 5.463 50 0 IKAAMO Cc1nc(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cs1 ZINC000070019600 569528854 /nfs/dbraw/zinc/52/88/54/569528854.db2.gz HKXWVYDPBHOGIP-FQEVSTJZSA-N 1 1 441.622 5.294 50 0 IKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000009407757 569530279 /nfs/dbraw/zinc/53/02/79/569530279.db2.gz OFLULEUWPLMYHX-GASCZTMLSA-N 1 1 435.058 5.772 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000009407755 569530284 /nfs/dbraw/zinc/53/02/84/569530284.db2.gz YXMFSDIJHOBIGB-QGZVFWFLSA-N 1 1 435.058 6.059 50 0 IKAAMO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC(c2ccccc2)c2ccccc2)cc1 ZINC000009598488 569551015 /nfs/dbraw/zinc/55/10/15/569551015.db2.gz HDNFDJLAGLPIKS-UHFFFAOYSA-N 1 1 425.919 6.562 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000009598066 569551026 /nfs/dbraw/zinc/55/10/26/569551026.db2.gz FMFKCEWDCGNEPJ-INIZCTEOSA-N 1 1 428.001 5.611 50 0 IKAAMO CCC1=Nc2cc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)ccc2Sc2ccccc21 ZINC000009607901 569552019 /nfs/dbraw/zinc/55/20/19/569552019.db2.gz ZUBQBLXSCZGTHS-KDURUIRLSA-N 1 1 435.637 6.065 50 0 IKAAMO CCCC1=Nc2cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)ccc2Sc2ccccc21 ZINC000009607974 569552109 /nfs/dbraw/zinc/55/21/09/569552109.db2.gz JOLZMWATANAICC-BGYRXZFFSA-N 1 1 449.664 6.170 50 0 IKAAMO Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000009645470 569556107 /nfs/dbraw/zinc/55/61/07/569556107.db2.gz BNTJDQPYLKLDON-RUZDIDTESA-N 1 1 427.523 5.920 50 0 IKAAMO CCCC[N@@H+](C)CCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc21 ZINC000009673351 569558912 /nfs/dbraw/zinc/55/89/12/569558912.db2.gz CXGSFPPGEVHLGN-UHFFFAOYSA-N 1 1 446.414 5.188 50 0 IKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000009680573 569560147 /nfs/dbraw/zinc/56/01/47/569560147.db2.gz XSNNPFOESFICMB-NRFANRHFSA-N 1 1 446.595 5.371 50 0 IKAAMO CCn1c2ccccc2c2cc(Nc3c4cc(Cl)ccc4[nH+]c4c3CCCC4)ccc21 ZINC000009693768 569561195 /nfs/dbraw/zinc/56/11/95/569561195.db2.gz RUTXRBAYWINYES-UHFFFAOYSA-N 1 1 425.963 7.638 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000009722296 569563412 /nfs/dbraw/zinc/56/34/12/569563412.db2.gz VPTDMYDSPHSFRE-GOSISDBHSA-N 1 1 445.032 5.340 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)NC2CCCCCCC2)C1 ZINC000009731903 569564714 /nfs/dbraw/zinc/56/47/14/569564714.db2.gz SBCZBRCZJVOMFS-HXUWFJFHSA-N 1 1 444.019 5.745 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000009731902 569564763 /nfs/dbraw/zinc/56/47/63/569564763.db2.gz SBCZBRCZJVOMFS-FQEVSTJZSA-N 1 1 444.019 5.745 50 0 IKAAMO C[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)C1 ZINC000002975089 132260032 /nfs/dbraw/zinc/26/00/32/132260032.db2.gz LREAWDATUSGTAY-QGZVFWFLSA-N 1 1 436.481 6.343 50 0 IKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2Cl)CC1 ZINC000009123792 132305179 /nfs/dbraw/zinc/30/51/79/132305179.db2.gz XSQUZSSQZMNPMH-UHFFFAOYSA-N 1 1 449.982 5.313 50 0 IKAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000009289083 132312752 /nfs/dbraw/zinc/31/27/52/132312752.db2.gz KZGFSZFZAKMEJP-UHFFFAOYSA-N 1 1 449.982 5.313 50 0 IKAAMO Cc1cccc(N2CCN(c3cc(-c4ccccc4)nc4c(-c5ccccc5)cnn43)CC2)[nH+]1 ZINC000010383647 132335689 /nfs/dbraw/zinc/33/56/89/132335689.db2.gz JSPZNSGHWOQOAF-UHFFFAOYSA-N 1 1 446.558 5.093 50 0 IKAAMO Cc1cc(C[N@H+](C)C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)on1 ZINC000011785788 132339668 /nfs/dbraw/zinc/33/96/68/132339668.db2.gz IRAJAMXFFZBAOC-UHFFFAOYSA-N 1 1 446.595 5.045 50 0 IKAAMO CC(=O)c1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cs1 ZINC000012583037 518275665 /nfs/dbraw/zinc/27/56/65/518275665.db2.gz IAPZJIILFPEKBP-VWLOTQADSA-N 1 1 440.653 5.152 50 0 IKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000012843142 519021718 /nfs/dbraw/zinc/02/17/18/519021718.db2.gz WJQPYPNKJIJJPL-UHFFFAOYSA-N 1 1 445.582 5.698 50 0 IKAAMO CC(C)(C)c1ccc(C[N@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)C2CC2)cc1 ZINC000035843658 519027344 /nfs/dbraw/zinc/02/73/44/519027344.db2.gz UUOPCNNVRRNCEN-DEOSSOPVSA-N 1 1 443.056 5.876 50 0 IKAAMO CC(C)(C)c1ccc(C[N@@H+](CC(=O)N2CCS[C@H]2c2ccccc2Cl)C2CC2)cc1 ZINC000035843658 519027347 /nfs/dbraw/zinc/02/73/47/519027347.db2.gz UUOPCNNVRRNCEN-DEOSSOPVSA-N 1 1 443.056 5.876 50 0 IKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843762 519652282 /nfs/dbraw/zinc/65/22/82/519652282.db2.gz DJGJLHYKSOIVQF-UHFFFAOYSA-N 1 1 432.505 6.743 50 0 IKAAMO CC(C)[N@@H+]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020840645 519690559 /nfs/dbraw/zinc/69/05/59/519690559.db2.gz JJHBOBAEDATFAY-UHFFFAOYSA-N 1 1 447.629 5.506 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020840645 519690560 /nfs/dbraw/zinc/69/05/60/519690560.db2.gz JJHBOBAEDATFAY-UHFFFAOYSA-N 1 1 447.629 5.506 50 0 IKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cccc(Cl)c1 ZINC000035843632 519710055 /nfs/dbraw/zinc/71/00/55/519710055.db2.gz WSNJYSVQGKNNAY-QFIPXVFZSA-N 1 1 437.436 5.726 50 0 IKAAMO CC(C)C[N@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844672 519718732 /nfs/dbraw/zinc/71/87/32/519718732.db2.gz HIWOHKLZBRAVRR-UHFFFAOYSA-N 1 1 436.468 6.492 50 0 IKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1F ZINC000035844672 519718733 /nfs/dbraw/zinc/71/87/33/519718733.db2.gz HIWOHKLZBRAVRR-UHFFFAOYSA-N 1 1 436.468 6.492 50 0 IKAAMO CC(=O)Nc1ccc(Oc2nc(C[NH+]3CCC(C)CC3)nc3sc4c(c32)CCC4)cc1 ZINC000012766410 519729301 /nfs/dbraw/zinc/72/93/01/519729301.db2.gz MRURURYFOIACHD-UHFFFAOYSA-N 1 1 436.581 5.163 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1 ZINC000035844682 519812013 /nfs/dbraw/zinc/81/20/13/519812013.db2.gz QYZNZAVEHHRWEK-IBGZPJMESA-N 1 1 432.505 6.741 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843774 519812029 /nfs/dbraw/zinc/81/20/29/519812029.db2.gz SIEDQHRHFKMDRW-IBGZPJMESA-N 1 1 432.505 6.741 50 0 IKAAMO CCCC[N@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844747 520440867 /nfs/dbraw/zinc/44/08/67/520440867.db2.gz XVEZUAKBFGXWNH-UHFFFAOYSA-N 1 1 436.571 5.601 50 0 IKAAMO CCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1F ZINC000035844747 520440878 /nfs/dbraw/zinc/44/08/78/520440878.db2.gz XVEZUAKBFGXWNH-UHFFFAOYSA-N 1 1 436.571 5.601 50 0 IKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cccc(OC)c1 ZINC000035843639 520442285 /nfs/dbraw/zinc/44/22/85/520442285.db2.gz HBOZQAPMYPGAFZ-HSZRJFAPSA-N 1 1 433.017 5.225 50 0 IKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N[C@H](c2ccccc2)c2ccccn2)n1 ZINC000012585758 520761462 /nfs/dbraw/zinc/76/14/62/520761462.db2.gz LSNPWDXSCGRYGE-HSZRJFAPSA-N 1 1 431.609 5.746 50 0 IKAAMO CC[NH+](CC)c1ccc(Nc2c3[nH]cccc-3c(=O)n2-c2cc(OC)ccc2OC)c(C)c1 ZINC000021105799 520919514 /nfs/dbraw/zinc/91/95/14/520919514.db2.gz PBQCBRDZTCRYFW-RUZDIDTESA-N 1 1 446.551 5.025 50 0 IKAAMO CC[N@@H+](CCC[NH2+]Cc1c(C)n(Cc2cccc(C)c2)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC000021024289 521021761 /nfs/dbraw/zinc/02/17/61/521021761.db2.gz SRHLSTLBHNPRPZ-UHFFFAOYSA-N 1 1 447.623 5.162 50 0 IKAAMO CC1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)c3ccc(F)cc3)cc2)CC1 ZINC000012595320 521043083 /nfs/dbraw/zinc/04/30/83/521043083.db2.gz FNLHOCYKFXYOER-RUZDIDTESA-N 1 1 437.584 5.441 50 0 IKAAMO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012758571 521273638 /nfs/dbraw/zinc/27/36/38/521273638.db2.gz VKGCMIGCTQKSNJ-HXUWFJFHSA-N 1 1 428.326 5.291 50 0 IKAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000012565880 521372715 /nfs/dbraw/zinc/37/27/15/521372715.db2.gz VONCVKHMISCWGP-QHCPKHFHSA-N 1 1 448.588 5.758 50 0 IKAAMO CCOc1ccccc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532237 521542372 /nfs/dbraw/zinc/54/23/72/521542372.db2.gz OLRSLZDVNOEKEX-KRWDZBQOSA-N 1 1 438.597 5.198 50 0 IKAAMO CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268854 521682725 /nfs/dbraw/zinc/68/27/25/521682725.db2.gz OTLSDUSKPLUFOT-UHFFFAOYSA-N 1 1 431.605 5.959 50 0 IKAAMO CC[NH+]1CCN([C@H](c2cccs2)c2c(C)c(C)sc2NC(=O)c2ccccc2)CC1 ZINC000022917861 521695225 /nfs/dbraw/zinc/69/52/25/521695225.db2.gz JYAOTWZPMGUUJO-JOCHJYFZSA-N 1 1 439.650 5.406 50 0 IKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000020532232 521724652 /nfs/dbraw/zinc/72/46/52/521724652.db2.gz CCUPFMAHCHKYGW-INIZCTEOSA-N 1 1 443.016 5.761 50 0 IKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)[N@H+](C)CC3)OCO2 ZINC000036025448 521887401 /nfs/dbraw/zinc/88/74/01/521887401.db2.gz VCYLUWWVUJRDTH-CTNGQTDRSA-N 1 1 425.569 5.385 50 0 biogenic IKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)[N@@H+](C)CC3)OCO2 ZINC000036025448 521887410 /nfs/dbraw/zinc/88/74/10/521887410.db2.gz VCYLUWWVUJRDTH-CTNGQTDRSA-N 1 1 425.569 5.385 50 0 biogenic IKAAMO CCc1ccccc1NC(=O)N[C@@H](CC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532220 521894928 /nfs/dbraw/zinc/89/49/28/521894928.db2.gz NKSJGPDKTSTGIF-FQEVSTJZSA-N 1 1 436.625 5.752 50 0 IKAAMO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl ZINC000012767486 522010936 /nfs/dbraw/zinc/01/09/36/522010936.db2.gz RASFWNVRQFUTMP-IBGZPJMESA-N 1 1 432.351 5.000 50 0 IKAAMO CC[C@H](NC(=O)Nc1cc(C)ccc1OC)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020532136 522479355 /nfs/dbraw/zinc/47/93/55/522479355.db2.gz DREZEMPBIMAHSG-SFHVURJKSA-N 1 1 438.597 5.117 50 0 IKAAMO CC[C@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532214 522482773 /nfs/dbraw/zinc/48/27/73/522482773.db2.gz VAJHUHSCASZJAK-NRFANRHFSA-N 1 1 436.625 5.806 50 0 IKAAMO CC[C@@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020532215 522746451 /nfs/dbraw/zinc/74/64/51/522746451.db2.gz SODQEQCBYPCMJR-OAQYLSRUSA-N 1 1 436.625 5.806 50 0 IKAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000035889813 522934744 /nfs/dbraw/zinc/93/47/44/522934744.db2.gz FHCDSSAQYVTDRX-NIDLKEISSA-N 1 1 445.987 5.234 50 0 biogenic,in-vitro IKAAMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]13)CC2 ZINC000012659961 523046312 /nfs/dbraw/zinc/04/63/12/523046312.db2.gz MAZWREUQDXJNBZ-NJYVRSLCSA-N 1 1 439.596 5.081 50 0 biogenic IKAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc(F)cc1F ZINC000012431334 523117083 /nfs/dbraw/zinc/11/70/83/523117083.db2.gz QSEVFXAUNZZTSA-QGZVFWFLSA-N 1 1 440.456 5.010 50 0 IKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000012570419 523140769 /nfs/dbraw/zinc/14/07/69/523140769.db2.gz SIXFFCZHJUWMHA-QFIPXVFZSA-N 1 1 430.548 5.222 50 0 IKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560153 523169221 /nfs/dbraw/zinc/16/92/21/523169221.db2.gz BNZCKVNWAGYWHR-HSZRJFAPSA-N 1 1 439.003 5.122 50 0 IKAAMO CCn1c(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(OC)cc3C)C2)nc2ccccc21 ZINC000012445664 523190528 /nfs/dbraw/zinc/19/05/28/523190528.db2.gz MROKJOYTZMXCET-HXUWFJFHSA-N 1 1 434.584 5.004 50 0 IKAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCc3cccc(O)c3)c(C)o2)c(OC)c1 ZINC000012709968 523199510 /nfs/dbraw/zinc/19/95/10/523199510.db2.gz PNKDCRNZSGLRER-FQEVSTJZSA-N 1 1 436.552 5.360 50 0 IKAAMO C[N@@H+](Cc1ccsc1)Cc1cc2ccc(F)cc2n(CCSc2ccccc2)c1=O ZINC000012099368 523484232 /nfs/dbraw/zinc/48/42/32/523484232.db2.gz CYEUUIDLCQDDQP-UHFFFAOYSA-N 1 1 438.593 5.626 50 0 IKAAMO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1C ZINC000012586646 523603085 /nfs/dbraw/zinc/60/30/85/523603085.db2.gz WXGKIFDVAHFHLP-HXUWFJFHSA-N 1 1 448.529 5.049 50 0 IKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)NCc1ccccc1Cl)[C@H]2c1ccccc1 ZINC000021045827 523719172 /nfs/dbraw/zinc/71/91/72/523719172.db2.gz UCTQAGPMVXJMGG-DEOSSOPVSA-N 1 1 439.024 5.536 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCc1ccccc1Cl)[C@H]2c1ccccc1 ZINC000021045827 523719182 /nfs/dbraw/zinc/71/91/82/523719182.db2.gz UCTQAGPMVXJMGG-DEOSSOPVSA-N 1 1 439.024 5.536 50 0 IKAAMO COCC[NH+]1CCC(CN(C)Cc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)CC1 ZINC000012710622 523812272 /nfs/dbraw/zinc/81/22/72/523812272.db2.gz SUPAPPLOVRHTDB-UHFFFAOYSA-N 1 1 433.596 5.107 50 0 IKAAMO CC[C@H](C)[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000035844780 523924295 /nfs/dbraw/zinc/92/42/95/523924295.db2.gz SGWHWGOHZZQKJE-NRFANRHFSA-N 1 1 436.571 5.599 50 0 IKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000041098051 523979312 /nfs/dbraw/zinc/97/93/12/523979312.db2.gz CNYWHNQOSXZMSM-UHFFFAOYSA-N 1 1 434.543 6.059 50 0 IKAAMO COc1ccc(C[N@H+](Cc2cccn2Cc2cccc(OC)c2)CC2CCCCC2)cc1 ZINC000035841144 524014476 /nfs/dbraw/zinc/01/44/76/524014476.db2.gz CAQGSKTYISXCOM-UHFFFAOYSA-N 1 1 432.608 6.136 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cc1C ZINC000012437693 524027791 /nfs/dbraw/zinc/02/77/91/524027791.db2.gz UEBKEODAAMTWSQ-SFHVURJKSA-N 1 1 430.976 5.297 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cc1C ZINC000012437695 524029416 /nfs/dbraw/zinc/02/94/16/524029416.db2.gz UEBKEODAAMTWSQ-GOSISDBHSA-N 1 1 430.976 5.297 50 0 IKAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012761993 524177302 /nfs/dbraw/zinc/17/73/02/524177302.db2.gz CWGBUZYNHAODOK-HXUWFJFHSA-N 1 1 426.900 5.378 50 0 IKAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3cc4c(cc3Cl)OCO4)oc2C)c1 ZINC000012761993 524177312 /nfs/dbraw/zinc/17/73/12/524177312.db2.gz CWGBUZYNHAODOK-HXUWFJFHSA-N 1 1 426.900 5.378 50 0 IKAAMO Cc1ccc(C[N@@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)Cc2ccccc2)cc1 ZINC000035841167 524420803 /nfs/dbraw/zinc/42/08/03/524420803.db2.gz ACXGDFVIQTWDOZ-UHFFFAOYSA-N 1 1 448.532 7.066 50 0 IKAAMO COc1ccccc1NC(=O)Cc1nc(C[NH2+][C@H](C)c2cccc3ccccc32)cs1 ZINC000012874113 524605037 /nfs/dbraw/zinc/60/50/37/524605037.db2.gz ZMEFQHLZCKNGFA-QGZVFWFLSA-N 1 1 431.561 5.337 50 0 IKAAMO Cc1ccccc1-c1cc2c(c(O[C@H]3CCOC3)c1)OCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012191624 525002851 /nfs/dbraw/zinc/00/28/51/525002851.db2.gz SGEQHOVWNGOVCP-DEOSSOPVSA-N 1 1 433.523 5.363 50 0 IKAAMO Cc1ccccc1-c1cc2c(c(O[C@H]3CCOC3)c1)OCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012191624 525002862 /nfs/dbraw/zinc/00/28/62/525002862.db2.gz SGEQHOVWNGOVCP-DEOSSOPVSA-N 1 1 433.523 5.363 50 0 IKAAMO Cc1ccccc1-c1cc2c(c(O[C@@H]3CCOC3)c1)OCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012191623 525002961 /nfs/dbraw/zinc/00/29/61/525002961.db2.gz SGEQHOVWNGOVCP-XMMPIXPASA-N 1 1 433.523 5.363 50 0 IKAAMO Cc1ccccc1-c1cc2c(c(O[C@@H]3CCOC3)c1)OCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012191623 525002971 /nfs/dbraw/zinc/00/29/71/525002971.db2.gz SGEQHOVWNGOVCP-XMMPIXPASA-N 1 1 433.523 5.363 50 0 IKAAMO C[C@@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000012683125 525097682 /nfs/dbraw/zinc/09/76/82/525097682.db2.gz CULGIHAOBXRZFM-MOPGFXCFSA-N 1 1 449.982 5.463 50 0 IKAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000012683125 525097687 /nfs/dbraw/zinc/09/76/87/525097687.db2.gz CULGIHAOBXRZFM-MOPGFXCFSA-N 1 1 449.982 5.463 50 0 IKAAMO COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000012529251 525239454 /nfs/dbraw/zinc/23/94/54/525239454.db2.gz DRLQYRAHNGPDIT-DCFHFQCYSA-N 1 1 441.575 5.401 50 0 IKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1cccc(F)c1 ZINC000035840823 525307178 /nfs/dbraw/zinc/30/71/78/525307178.db2.gz JIWCFEDUMFDOCQ-SANMLTNESA-N 1 1 438.587 5.272 50 0 IKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000035840625 525312428 /nfs/dbraw/zinc/31/24/28/525312428.db2.gz LYVKRPGHMNOOFJ-RUZDIDTESA-N 1 1 438.587 5.272 50 0 IKAAMO Cc1[nH]c2ccc(NC(=O)c3ccco3)cc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccccn1 ZINC000021659622 525431182 /nfs/dbraw/zinc/43/11/82/525431182.db2.gz FPNUDDKOIGOCIH-VWLOTQADSA-N 1 1 437.503 5.622 50 0 IKAAMO COc1ccc([C@](O)(CCC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020446977 525444347 /nfs/dbraw/zinc/44/43/47/525444347.db2.gz BKARIVRTTVHMED-JWQCQUIFSA-N 1 1 432.004 5.088 50 0 IKAAMO C[C@H]([NH2+]Cc1nc(=O)c2c(-c3ccccc3Cl)csc2[nH]1)c1ccc(Cl)cc1 ZINC000012739529 525488685 /nfs/dbraw/zinc/48/86/85/525488685.db2.gz UNAUDTFDRASUOL-LBPRGKRZSA-N 1 1 430.360 5.809 50 0 IKAAMO Cc1ccn2c(c1)[nH+]c(-c1ccc(OC(=O)c3ccccc3C)cc1)c2NC1CCCCC1 ZINC000035703033 525609786 /nfs/dbraw/zinc/60/97/86/525609786.db2.gz OBMSXUSOOGLVEY-UHFFFAOYSA-N 1 1 439.559 6.582 50 0 IKAAMO Cc1ccc(SCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000016310956 525650715 /nfs/dbraw/zinc/65/07/15/525650715.db2.gz QLRGOOMWBMNVQZ-UHFFFAOYSA-N 1 1 430.617 5.411 50 0 IKAAMO COc1cccc(-c2cccc(NC(=O)C3CC[NH+](Cc4csc(C(C)=O)c4)CC3)c2)c1 ZINC000012093783 525713236 /nfs/dbraw/zinc/71/32/36/525713236.db2.gz YJMUSLNQFAGDBB-UHFFFAOYSA-N 1 1 448.588 5.477 50 0 IKAAMO Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)n2)cc1 ZINC000021659576 525714003 /nfs/dbraw/zinc/71/40/03/525714003.db2.gz YLKLRKIQIHCNQN-SFHVURJKSA-N 1 1 434.971 5.585 50 0 IKAAMO COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](Cc3csc(C(C)=O)c3)CC2)c1 ZINC000012477150 525714712 /nfs/dbraw/zinc/71/47/12/525714712.db2.gz ZPENVHBZSARZNU-UHFFFAOYSA-N 1 1 448.588 5.477 50 0 IKAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](COc4cccc(C)c4)C3)c(C)o2)c1OC ZINC000020600287 525724037 /nfs/dbraw/zinc/72/40/37/525724037.db2.gz XQUVXWJYLDLEPA-HXUWFJFHSA-N 1 1 436.552 5.267 50 0 IKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+]2CCC(C)CC2)o1 ZINC000015860488 525762275 /nfs/dbraw/zinc/76/22/75/525762275.db2.gz SSQZXGSQWYYSME-GOSISDBHSA-N 1 1 431.001 5.968 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022508433 525784364 /nfs/dbraw/zinc/78/43/64/525784364.db2.gz GMTITNFRUQRUIS-GDLZYMKVSA-N 1 1 437.587 5.343 50 0 IKAAMO COc1cccc(C[N@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)CC(C)C)c1 ZINC000035841153 525922918 /nfs/dbraw/zinc/92/29/18/525922918.db2.gz DHGYSAPJNCKRGY-UHFFFAOYSA-N 1 1 430.514 6.222 50 0 IKAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000020624091 525981762 /nfs/dbraw/zinc/98/17/62/525981762.db2.gz GIAJDZFBAPFCBO-SFHVURJKSA-N 1 1 431.967 5.422 50 0 IKAAMO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000021331342 526161001 /nfs/dbraw/zinc/16/10/01/526161001.db2.gz MODKXLFNXCJTTB-DOTOQJQBSA-N 1 1 444.457 5.167 50 0 IKAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795501 526193223 /nfs/dbraw/zinc/19/32/23/526193223.db2.gz OZPMREASODXULI-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO COc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021795501 526193230 /nfs/dbraw/zinc/19/32/30/526193230.db2.gz OZPMREASODXULI-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000035569249 526213511 /nfs/dbraw/zinc/21/35/11/526213511.db2.gz ZLWQGNABQLEYHG-SQHAQQRYSA-N 1 1 448.570 5.296 50 0 IKAAMO Cc1ccc(C(c2ccc(C)cc2)[NH+]2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022035526 526255567 /nfs/dbraw/zinc/25/55/67/526255567.db2.gz QUHLUNRWOCMCTE-UHFFFAOYSA-N 1 1 437.631 6.125 50 0 IKAAMO Cc1ccc(C)c(-c2nc3ccccc3c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1 ZINC000020357317 526256026 /nfs/dbraw/zinc/25/60/26/526256026.db2.gz BNDMYOLSAFJZGO-UHFFFAOYSA-N 1 1 449.598 5.785 50 0 IKAAMO S=C(CCC[NH+]1CCOCC1)Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012643870 526382901 /nfs/dbraw/zinc/38/29/01/526382901.db2.gz XFQGOTLJTVHORQ-UHFFFAOYSA-N 1 1 441.000 5.044 50 0 IKAAMO c1cncc(CN(Cc2nc3c(s2)CCCC3)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000012307945 526546338 /nfs/dbraw/zinc/54/63/38/526546338.db2.gz UTESDEKZOQAOML-QFIPXVFZSA-N 1 1 438.685 5.464 50 0 IKAAMO c1cnn(-c2ccc(CN(Cc3cccnc3)C[C@@H]3CCC[N@H+](C4CCCCC4)C3)cc2)c1 ZINC000012210386 526550243 /nfs/dbraw/zinc/55/02/43/526550243.db2.gz HMYDZYJWKDSZFJ-SANMLTNESA-N 1 1 443.639 5.314 50 0 IKAAMO c1cnn(-c2ccc(CN(Cc3cccnc3)C[C@H]3CCC[N@H+](C4CCCCC4)C3)cc2)c1 ZINC000012210390 526550853 /nfs/dbraw/zinc/55/08/53/526550853.db2.gz HMYDZYJWKDSZFJ-AREMUKBSSA-N 1 1 443.639 5.314 50 0 IKAAMO O=C(CC[C@@H]1CCC[N@@H+](CC2=Cc3cc(Cl)ccc3OC2)C1)Nc1ccccc1F ZINC000012576135 526554296 /nfs/dbraw/zinc/55/42/96/526554296.db2.gz XRPIKODRNMGXSO-KRWDZBQOSA-N 1 1 428.935 5.386 50 0 IKAAMO O=C(c1cc(Cl)ccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012621668 526608828 /nfs/dbraw/zinc/60/88/28/526608828.db2.gz DGQOIOUIWZSFLE-UHFFFAOYSA-N 1 1 425.359 5.541 50 0 IKAAMO O=C(c1cc(F)c(F)cc1F)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011937470 526614608 /nfs/dbraw/zinc/61/46/08/526614608.db2.gz QYIKUIZKYFJZBR-IBGZPJMESA-N 1 1 445.529 5.186 50 0 IKAAMO O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020477486 526670711 /nfs/dbraw/zinc/67/07/11/526670711.db2.gz ZXJKDTHJZNLGNL-UHFFFAOYSA-N 1 1 437.008 5.590 50 0 IKAAMO O=C(c1ccc(Cl)cc1OC1CC[NH+](Cc2cc(F)cc(F)c2)CC1)N1CCCCC1 ZINC000012589735 526681401 /nfs/dbraw/zinc/68/14/01/526681401.db2.gz SYILWYVLQWLZLS-UHFFFAOYSA-N 1 1 448.941 5.288 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000012297763 526728731 /nfs/dbraw/zinc/72/87/31/526728731.db2.gz CVGDQWPNYQCZGZ-RUZDIDTESA-N 1 1 443.591 5.684 50 0 IKAAMO Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1C[N@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000012297764 526728942 /nfs/dbraw/zinc/72/89/42/526728942.db2.gz CVGDQWPNYQCZGZ-VWLOTQADSA-N 1 1 443.591 5.684 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000023337410 526729966 /nfs/dbraw/zinc/72/99/66/526729966.db2.gz GLLPFCIBYMOWNA-KRWDZBQOSA-N 1 1 441.453 6.190 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000012302777 526730410 /nfs/dbraw/zinc/73/04/10/526730410.db2.gz GSLLZVKYBLKOJS-FQEVSTJZSA-N 1 1 431.458 5.245 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000012302777 526730415 /nfs/dbraw/zinc/73/04/15/526730415.db2.gz GSLLZVKYBLKOJS-FQEVSTJZSA-N 1 1 431.458 5.245 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c1C ZINC000035476911 526884235 /nfs/dbraw/zinc/88/42/35/526884235.db2.gz QVEPJZDIFLGFBV-JOCHJYFZSA-N 1 1 433.602 6.584 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccsc2)c1C ZINC000035476912 526884810 /nfs/dbraw/zinc/88/48/10/526884810.db2.gz IZZXLVUMCPCRFO-QFIPXVFZSA-N 1 1 433.602 6.584 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c1C ZINC000035476890 526884939 /nfs/dbraw/zinc/88/49/39/526884939.db2.gz JEHBCERALSVMKF-QHCPKHFHSA-N 1 1 428.561 5.917 50 0 IKAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(N[C@@H](c3nccn3C)c3ccccc3)c2c1C ZINC000012628227 526890597 /nfs/dbraw/zinc/89/05/97/526890597.db2.gz CDDVTHZYIOSZOS-JOCHJYFZSA-N 1 1 446.624 5.229 50 0 IKAAMO O=C(COc1ccc2ccccc2c1)NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000022907876 526972209 /nfs/dbraw/zinc/97/22/09/526972209.db2.gz LMHWYMQYVUSTGF-RUZDIDTESA-N 1 1 442.584 5.196 50 0 IKAAMO O=C(COc1ccc2ccccc2c1)NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000022907876 526972214 /nfs/dbraw/zinc/97/22/14/526972214.db2.gz LMHWYMQYVUSTGF-RUZDIDTESA-N 1 1 442.584 5.196 50 0 IKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH+]1 ZINC000021795497 527002567 /nfs/dbraw/zinc/00/25/67/527002567.db2.gz KWZZBFBULYNWGZ-UHFFFAOYSA-N 1 1 436.947 5.816 50 0 IKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021795497 527002572 /nfs/dbraw/zinc/00/25/72/527002572.db2.gz KWZZBFBULYNWGZ-UHFFFAOYSA-N 1 1 436.947 5.816 50 0 IKAAMO Cc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)s1 ZINC000012430668 527256788 /nfs/dbraw/zinc/25/67/88/527256788.db2.gz NPGLHCSJACYFTB-HXUWFJFHSA-N 1 1 430.577 5.451 50 0 IKAAMO O=C(Nc1ccccc1Oc1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020567863 527433960 /nfs/dbraw/zinc/43/39/60/527433960.db2.gz LAXBZXLYHYWUFW-UHFFFAOYSA-N 1 1 434.539 6.290 50 0 IKAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000012440070 527665712 /nfs/dbraw/zinc/66/57/12/527665712.db2.gz SBXPKDVJDRINSJ-UHFFFAOYSA-N 1 1 436.987 5.208 50 0 IKAAMO FC(F)(F)c1ccc(Cn2cccc2C[N@H+](Cc2ccccc2)CC2CCCCC2)cc1 ZINC000035841068 527683231 /nfs/dbraw/zinc/68/32/31/527683231.db2.gz UMNNMTQPXJIMCG-UHFFFAOYSA-N 1 1 440.553 7.138 50 0 IKAAMO COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000000633737 555516100 /nfs/dbraw/zinc/51/61/00/555516100.db2.gz VFKJIMSMWKLQNW-BJKOFHAPSA-N 1 1 442.906 5.153 50 0 IKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000635897 555516708 /nfs/dbraw/zinc/51/67/08/555516708.db2.gz BCCLDKHKGGZOJH-DQEYMECFSA-N 1 1 438.556 5.521 50 0 IKAAMO COc1cc2c(cc1OC)[C@@H](O)C(C)(C)[N@@H+](CCC(c1ccccc1)c1ccccc1)C2 ZINC000000755135 555553869 /nfs/dbraw/zinc/55/38/69/555553869.db2.gz LWHIZVSTKKDMAP-HHHXNRCGSA-N 1 1 431.576 5.554 50 0 biogenic IKAAMO Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000000843541 555568413 /nfs/dbraw/zinc/56/84/13/555568413.db2.gz QIPZVDQHCSKCMN-XZOQPEGZSA-N 1 1 430.870 5.283 50 0 IKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)cc1 ZINC000001447608 555699577 /nfs/dbraw/zinc/69/95/77/555699577.db2.gz DSPPIVBSUJMIBC-IBGZPJMESA-N 1 1 449.352 5.441 50 0 IKAAMO C[N@H+](CC/C=C1/c2ccccc2CSc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000002049809 555728380 /nfs/dbraw/zinc/72/83/80/555728380.db2.gz VKQKHYFKXBMODB-RMORIDSASA-N 1 1 434.004 6.582 50 0 IKAAMO C[N@@H+](CC/C=C1/c2ccccc2CSc2ccccc21)CC(=O)c1ccc(Cl)cc1 ZINC000002049809 555728384 /nfs/dbraw/zinc/72/83/84/555728384.db2.gz VKQKHYFKXBMODB-RMORIDSASA-N 1 1 434.004 6.582 50 0 IKAAMO Cc1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C(=O)NCc3ccccc3F)o2)s1 ZINC000034670202 555792757 /nfs/dbraw/zinc/79/27/57/555792757.db2.gz RUJAXEFLWIDIHT-UHFFFAOYSA-N 1 1 428.573 5.767 50 0 IKAAMO CCN(C)C(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)CC2 ZINC000034671571 555793014 /nfs/dbraw/zinc/79/30/14/555793014.db2.gz ROOMXRGYCUNMFW-KDYSTLNUSA-N 1 1 428.576 5.080 50 0 IKAAMO Cc1ccccc1[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698886 555812430 /nfs/dbraw/zinc/81/24/30/555812430.db2.gz NJUUDVSYZBKBAT-LEAFIULHSA-N 1 1 430.636 5.896 50 0 IKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)o1 ZINC000034698792 555812484 /nfs/dbraw/zinc/81/24/84/555812484.db2.gz ZCEGTUVNOFCGKF-SHQCIBLASA-N 1 1 430.592 5.663 50 0 IKAAMO Cc1ccsc1C[N@H+]1C[C@@H](c2ccccc2C)[C@@H](CN(C(=O)c2ccccc2)C(C)C)C1 ZINC000034698790 555812543 /nfs/dbraw/zinc/81/25/43/555812543.db2.gz FGWTXUFTMJQVOO-AOYPEHQESA-N 1 1 446.660 6.131 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@@H+](CC2CC2)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698887 555812583 /nfs/dbraw/zinc/81/25/83/555812583.db2.gz NJUUDVSYZBKBAT-NAKRPHOHSA-N 1 1 430.636 5.896 50 0 IKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000034699037 555812748 /nfs/dbraw/zinc/81/27/48/555812748.db2.gz IKQVHZNUXVEFTF-SHQCIBLASA-N 1 1 447.598 5.178 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3ccc(F)cc3)C2)o1 ZINC000034699035 555812860 /nfs/dbraw/zinc/81/28/60/555812860.db2.gz SFWPBGNZGFMNNH-IGKIAQTJSA-N 1 1 448.582 5.741 50 0 IKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(C)cc3)[C@@H](CN(C(=O)c3ccccc3)C(C)C)C2)o1 ZINC000034699094 555813435 /nfs/dbraw/zinc/81/34/35/555813435.db2.gz IPEOCWLBZFFVSE-VPUSJEBWSA-N 1 1 430.592 5.663 50 0 IKAAMO CC(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)cc1 ZINC000034681665 555814919 /nfs/dbraw/zinc/81/49/19/555814919.db2.gz LSQGWUVEHAPOMP-UHFFFAOYSA-N 1 1 446.570 5.309 50 0 IKAAMO Cc1ccc([C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000034699098 555815594 /nfs/dbraw/zinc/81/55/94/555815594.db2.gz FAVFHMFMHYJSGQ-FTJBHMTQSA-N 1 1 432.633 5.823 50 0 IKAAMO Cc1cccc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccccc3F)C2)c1 ZINC000034711421 555824397 /nfs/dbraw/zinc/82/43/97/555824397.db2.gz YBHSIBMBIOMRIC-BJKOFHAPSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1cccc(CNC(=O)[C@@H]2C[C@@H](c3ccccc3)C[N@@H+](Cc3ccc(F)c(F)c3)C2)c1 ZINC000034711392 555824430 /nfs/dbraw/zinc/82/44/30/555824430.db2.gz PBRQTRFVQCMQAC-DNQXCXABSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1cccc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711449 555824444 /nfs/dbraw/zinc/82/44/44/555824444.db2.gz BXNWDMJXPVSMER-BJKOFHAPSA-N 1 1 434.530 5.195 50 0 IKAAMO COc1ccc(NC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711271 555824450 /nfs/dbraw/zinc/82/44/50/555824450.db2.gz GSEIMQAEPFIHEQ-GOTSBHOMSA-N 1 1 432.539 5.387 50 0 IKAAMO COc1ccc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000034711273 555824529 /nfs/dbraw/zinc/82/45/29/555824529.db2.gz GSEIMQAEPFIHEQ-XZOQPEGZSA-N 1 1 432.539 5.387 50 0 IKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000034711448 555824593 /nfs/dbraw/zinc/82/45/93/555824593.db2.gz BXNWDMJXPVSMER-DNQXCXABSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1cc([C@H]2C[C@@H](C(=O)NCc3ccccc3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716629 555865963 /nfs/dbraw/zinc/86/59/63/555865963.db2.gz SQCNIMUXBLGGPT-BJKOFHAPSA-N 1 1 434.530 5.195 50 0 IKAAMO Cc1ccc(O[C@H](CC[NH+]2CCN(Cc3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000034728590 555868614 /nfs/dbraw/zinc/86/86/14/555868614.db2.gz LAEJPVFKCAKJGR-HHHXNRCGSA-N 1 1 435.011 5.976 50 0 IKAAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(F)c1)C(C)C ZINC000034740808 555883997 /nfs/dbraw/zinc/88/39/97/555883997.db2.gz NUMPGQUHOIMTSA-ZJSXRUAMSA-N 1 1 430.995 5.588 50 0 IKAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cc(C)c(C)o2)C[C@@H]1CN(CC(C)C)C(=O)C(C)C ZINC000034740600 555884043 /nfs/dbraw/zinc/88/40/43/555884043.db2.gz VUAJCQXHVVSRPJ-RCZVLFRGSA-N 1 1 440.628 5.261 50 0 IKAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740726 555884111 /nfs/dbraw/zinc/88/41/11/555884111.db2.gz ZNWDLHREOQWNNJ-NOZRDPDXSA-N 1 1 440.578 5.670 50 0 IKAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000004574094 556002067 /nfs/dbraw/zinc/00/20/67/556002067.db2.gz PCNJVSSSPXTRCT-DEOSSOPVSA-N 1 1 428.617 5.608 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(Cl)cc2)cc1 ZINC000002714338 556129396 /nfs/dbraw/zinc/12/93/96/556129396.db2.gz WAFUDRDRAWDFRY-UHFFFAOYSA-N 1 1 438.962 6.704 50 0 IKAAMO Cc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1 ZINC000002714221 556129461 /nfs/dbraw/zinc/12/94/61/556129461.db2.gz QLGQRGYVYFWAKU-UHFFFAOYSA-N 1 1 438.962 6.970 50 0 IKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1OC ZINC000002768376 556139842 /nfs/dbraw/zinc/13/98/42/556139842.db2.gz KUWDLWFWUYACQQ-UHFFFAOYSA-N 1 1 449.547 5.076 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008629590 556194107 /nfs/dbraw/zinc/19/41/07/556194107.db2.gz HUEIIWBYDFCOBA-GFCCVEGCSA-N 1 1 427.458 5.275 50 0 IKAAMO COc1cccc(CN2CCC([N@@H+](CCc3ccccc3)Cc3ccccc3)CC2)c1OC ZINC000008830243 556225203 /nfs/dbraw/zinc/22/52/03/556225203.db2.gz DZMNESXMQJGKKI-UHFFFAOYSA-N 1 1 444.619 5.413 50 0 IKAAMO Cc1cc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000008870906 556229689 /nfs/dbraw/zinc/22/96/89/556229689.db2.gz ZBBXNADCXKYAOC-UHFFFAOYSA-N 1 1 449.498 5.480 50 0 IKAAMO C[C@H](c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000022789124 556247796 /nfs/dbraw/zinc/24/77/96/556247796.db2.gz KQNLFEDNQZKLJW-CQSZACIVSA-N 1 1 445.843 5.469 50 0 IKAAMO C[C@@H](c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)N1CC[NH+](CCO)CC1 ZINC000022789118 556247900 /nfs/dbraw/zinc/24/79/00/556247900.db2.gz KQNLFEDNQZKLJW-AWEZNQCLSA-N 1 1 445.843 5.469 50 0 IKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3nc(C(C)C)cs3)C2)cc1Cl ZINC000011753851 556348862 /nfs/dbraw/zinc/34/88/62/556348862.db2.gz HEEHSYGBBMQSBC-MRXNPFEDSA-N 1 1 436.021 5.559 50 0 IKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3nc(C(C)C)cs3)C2)cc1Cl ZINC000011753851 556348863 /nfs/dbraw/zinc/34/88/63/556348863.db2.gz HEEHSYGBBMQSBC-MRXNPFEDSA-N 1 1 436.021 5.559 50 0 IKAAMO C[N@@H+](Cc1ccc(OCCNC(=O)c2cccc(F)c2)cc1)Cc1cccc2ccccc21 ZINC000011841661 556365537 /nfs/dbraw/zinc/36/55/37/556365537.db2.gz ZVPYWWMXWPRQQU-UHFFFAOYSA-N 1 1 442.534 5.420 50 0 IKAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccc2[nH]ccc2c1 ZINC000011873050 556369407 /nfs/dbraw/zinc/36/94/07/556369407.db2.gz WNVBORGVDXULFN-LJQANCHMSA-N 1 1 443.513 5.213 50 0 IKAAMO COc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)ccc1C ZINC000011872937 556369474 /nfs/dbraw/zinc/36/94/74/556369474.db2.gz AMRYOAQLLWODOM-HXUWFJFHSA-N 1 1 448.529 5.049 50 0 IKAAMO O=C(c1ccccc1Oc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014123008 556372518 /nfs/dbraw/zinc/37/25/18/556372518.db2.gz YTICIUWCLDBDSZ-UHFFFAOYSA-N 1 1 448.566 6.026 50 0 IKAAMO O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000011936090 556378342 /nfs/dbraw/zinc/37/83/42/556378342.db2.gz FYVXKDSGQKXIHA-UHFFFAOYSA-N 1 1 446.501 5.359 50 0 IKAAMO O=C(c1csc(-c2ccsc2)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014183887 556383678 /nfs/dbraw/zinc/38/36/78/556383678.db2.gz SAPSTBXKIADTAT-UHFFFAOYSA-N 1 1 445.613 5.419 50 0 IKAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](Cc2c(C)nn(C)c2C)C2CC2)c1 ZINC000012053066 556393198 /nfs/dbraw/zinc/39/31/98/556393198.db2.gz IEVOAUAQAXRHOH-UHFFFAOYSA-N 1 1 441.579 5.063 50 0 IKAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](Cc2c(C)nn(C)c2C)C2CC2)c1 ZINC000012053066 556393201 /nfs/dbraw/zinc/39/32/01/556393201.db2.gz IEVOAUAQAXRHOH-UHFFFAOYSA-N 1 1 441.579 5.063 50 0 IKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC000012075368 556397619 /nfs/dbraw/zinc/39/76/19/556397619.db2.gz XOEJHKAIEOFVRU-OAQYLSRUSA-N 1 1 446.956 5.039 50 0 IKAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000032622153 556409408 /nfs/dbraw/zinc/40/94/08/556409408.db2.gz APIMFPSTLHMYFS-FQEVSTJZSA-N 1 1 430.335 5.215 50 0 IKAAMO C[N@H+]1CCCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000014358897 556414143 /nfs/dbraw/zinc/41/41/43/556414143.db2.gz JFFCBCIKYQYZAV-UHFFFAOYSA-N 1 1 445.057 5.268 50 0 IKAAMO C[C@@H](Cc1cccs1)[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000032836182 556418163 /nfs/dbraw/zinc/41/81/63/556418163.db2.gz RGQOVZZKTQFIKW-HNNXBMFYSA-N 1 1 429.998 5.104 50 0 IKAAMO C[N@H+](Cc1ccc(Br)s1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000032843115 556428108 /nfs/dbraw/zinc/42/81/08/556428108.db2.gz WAKCYTPVUIOWIC-SFHVURJKSA-N 1 1 432.383 5.049 50 0 IKAAMO C[N@H+](Cc1ccccc1)[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000013040475 556446340 /nfs/dbraw/zinc/44/63/40/556446340.db2.gz ARJPLBGJSZFOEU-OAQYLSRUSA-N 1 1 432.873 6.171 50 0 IKAAMO C[N@@H+](Cc1ccccc1)[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000013040475 556446341 /nfs/dbraw/zinc/44/63/41/556446341.db2.gz ARJPLBGJSZFOEU-OAQYLSRUSA-N 1 1 432.873 6.171 50 0 IKAAMO Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(c3nc4ccccc4o3)CC2)c1 ZINC000013100497 556459802 /nfs/dbraw/zinc/45/98/02/556459802.db2.gz RUPZSTCFSRLFMD-AREMUKBSSA-N 1 1 439.559 6.004 50 0 IKAAMO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000013112737 556465519 /nfs/dbraw/zinc/46/55/19/556465519.db2.gz MBTLCFZQOJYVPP-QFIPXVFZSA-N 1 1 449.576 5.175 50 0 IKAAMO CCOc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000013112737 556465522 /nfs/dbraw/zinc/46/55/22/556465522.db2.gz MBTLCFZQOJYVPP-QFIPXVFZSA-N 1 1 449.576 5.175 50 0 IKAAMO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)c(C)c1 ZINC000014969334 556466489 /nfs/dbraw/zinc/46/64/89/556466489.db2.gz JCYDMXODECTNIT-FQEVSTJZSA-N 1 1 429.992 5.075 50 0 IKAAMO C[N@@H+](Cc1ccc(OCCNC(=O)c2cccs2)cc1)Cc1cccc2ccccc21 ZINC000014981443 556470967 /nfs/dbraw/zinc/47/09/67/556470967.db2.gz CQYQKYFTUDRWEM-UHFFFAOYSA-N 1 1 430.573 5.342 50 0 IKAAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000013127682 556476368 /nfs/dbraw/zinc/47/63/68/556476368.db2.gz XIBHUKMMNDQESO-XMMPIXPASA-N 1 1 432.568 5.054 50 0 IKAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000013127682 556476370 /nfs/dbraw/zinc/47/63/70/556476370.db2.gz XIBHUKMMNDQESO-XMMPIXPASA-N 1 1 432.568 5.054 50 0 IKAAMO O=C1CC[C@@H]2C[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)CC[C@@H]2N1Cc1cccc(F)c1 ZINC000014997414 556478221 /nfs/dbraw/zinc/47/82/21/556478221.db2.gz UKQYZPVOYWXZRW-LXFBAYGMSA-N 1 1 440.562 5.410 50 0 IKAAMO c1nn(-c2ccccc2)cc1CN(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015070095 556494970 /nfs/dbraw/zinc/49/49/70/556494970.db2.gz OMTSSEJSSUJRNM-RUZDIDTESA-N 1 1 443.639 5.314 50 0 IKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3c[nH]nc3C3CCCCC3)C2)c(C)c1 ZINC000015074144 556498001 /nfs/dbraw/zinc/49/80/01/556498001.db2.gz ABOIHPSOYKEEQF-FQEVSTJZSA-N 1 1 438.616 5.405 50 0 IKAAMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)c1cc2c(C)nn(C)c2s1 ZINC000072294363 556507493 /nfs/dbraw/zinc/50/74/93/556507493.db2.gz NPWGJQMESVSDAY-CTXDPNEZSA-N 1 1 430.662 5.227 50 0 IKAAMO CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000072303034 556547531 /nfs/dbraw/zinc/54/75/31/556547531.db2.gz RDJBNNMAGAXSBV-HXUWFJFHSA-N 1 1 437.971 5.051 50 0 IKAAMO COc1cc2ccccc2cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015799929 556552752 /nfs/dbraw/zinc/55/27/52/556552752.db2.gz FWCVARMMOOJKHP-UHFFFAOYSA-N 1 1 436.555 5.396 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 ZINC000015946385 556567383 /nfs/dbraw/zinc/56/73/83/556567383.db2.gz JACKSZJIJSXWCP-FQEVSTJZSA-N 1 1 427.957 5.857 50 0 IKAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc3oc(C)c(-c4ccccc4)c3cc2OC)C1 ZINC000022077681 556577846 /nfs/dbraw/zinc/57/78/46/556577846.db2.gz GTLYIXATMVSPGU-NRFANRHFSA-N 1 1 434.580 5.497 50 0 IKAAMO O=C(CC[C@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)C1)NCc1ccccc1Cl ZINC000039531350 556579596 /nfs/dbraw/zinc/57/95/96/556579596.db2.gz VZEXJKHMNXLUPI-OAQYLSRUSA-N 1 1 440.031 5.117 50 0 IKAAMO COc1cccc(N2CC[NH+](Cc3cc4oc(C)c(-c5ccccc5)c4cc3OC)CC2)c1 ZINC000061853259 556579617 /nfs/dbraw/zinc/57/96/17/556579617.db2.gz LFOMQKPWYNMOOX-UHFFFAOYSA-N 1 1 442.559 5.748 50 0 IKAAMO O=C(CC[C@@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)C1)NCc1ccccc1Cl ZINC000039531353 556579688 /nfs/dbraw/zinc/57/96/88/556579688.db2.gz VZEXJKHMNXLUPI-NRFANRHFSA-N 1 1 440.031 5.117 50 0 IKAAMO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022938314 556580811 /nfs/dbraw/zinc/58/08/11/556580811.db2.gz YNAYZMYUMOLCKV-AREMUKBSSA-N 1 1 439.559 5.330 50 0 IKAAMO Cc1ccc(C(=O)Nc2c3ccccc3oc2[C@@H](c2ccccc2)[NH+]2CCN(C)CC2)cc1 ZINC000022938314 556580814 /nfs/dbraw/zinc/58/08/14/556580814.db2.gz YNAYZMYUMOLCKV-AREMUKBSSA-N 1 1 439.559 5.330 50 0 IKAAMO CC[N@H+]1CCC[C@H]1CN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000034719602 556581545 /nfs/dbraw/zinc/58/15/45/556581545.db2.gz SUMBPUAQPZQJBA-PXNSSMCTSA-N 1 1 439.909 5.113 50 0 IKAAMO CCN1CCC[C@H]1C[NH2+][C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 ZINC000034719602 556581546 /nfs/dbraw/zinc/58/15/46/556581546.db2.gz SUMBPUAQPZQJBA-PXNSSMCTSA-N 1 1 439.909 5.113 50 0 IKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000016276164 556596538 /nfs/dbraw/zinc/59/65/38/556596538.db2.gz AIIAZNGHWVGDIG-UHFFFAOYSA-N 1 1 444.884 6.169 50 0 IKAAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546911 556613675 /nfs/dbraw/zinc/61/36/75/556613675.db2.gz LETUBIIMOOANBF-QFIPXVFZSA-N 1 1 433.533 5.815 50 0 IKAAMO COc1ccc([C@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038546901 556613732 /nfs/dbraw/zinc/61/37/32/556613732.db2.gz LKAPQNXXNVYJFS-QFIPXVFZSA-N 1 1 433.533 5.815 50 0 IKAAMO COc1cccc([C@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)c1 ZINC000038546907 556613751 /nfs/dbraw/zinc/61/37/51/556613751.db2.gz ONRORRQQNJIMHK-QFIPXVFZSA-N 1 1 433.533 5.815 50 0 IKAAMO COc1ccccc1[C@H](Nc1cc(C)cc[nH+]1)c1cc(C)sc1NC(=O)c1ccco1 ZINC000038546919 556613784 /nfs/dbraw/zinc/61/37/84/556613784.db2.gz MQHMMANIHSNKHH-QFIPXVFZSA-N 1 1 433.533 5.815 50 0 IKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546936 556613939 /nfs/dbraw/zinc/61/39/39/556613939.db2.gz GCDZIEGBQABOQP-OAQYLSRUSA-N 1 1 437.952 6.460 50 0 IKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546930 556613947 /nfs/dbraw/zinc/61/39/47/556613947.db2.gz VUXZWXVGECEBRM-NRFANRHFSA-N 1 1 437.952 6.460 50 0 IKAAMO CSc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547018 556613977 /nfs/dbraw/zinc/61/39/77/556613977.db2.gz VZMXOMUFFFKISY-JOCHJYFZSA-N 1 1 449.601 6.529 50 0 IKAAMO CSc1ccc([C@H](Nc2cccc(C)[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547016 556613995 /nfs/dbraw/zinc/61/39/95/556613995.db2.gz VZMXOMUFFFKISY-QFIPXVFZSA-N 1 1 449.601 6.529 50 0 IKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(Cl)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546932 556614034 /nfs/dbraw/zinc/61/40/34/556614034.db2.gz VUXZWXVGECEBRM-OAQYLSRUSA-N 1 1 437.952 6.460 50 0 IKAAMO CCOc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2cc(C)sc2NC(=O)c2ccco2)cc1 ZINC000038547011 556614053 /nfs/dbraw/zinc/61/40/53/556614053.db2.gz BCCIZHGTBCAXEN-HSZRJFAPSA-N 1 1 447.560 6.205 50 0 IKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000038551007 556614293 /nfs/dbraw/zinc/61/42/93/556614293.db2.gz HDFBDZAQOUQGHE-QHCPKHFHSA-N 1 1 431.536 6.353 50 0 IKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccccc2)s1 ZINC000038551013 556614604 /nfs/dbraw/zinc/61/46/04/556614604.db2.gz JUDYNLKQLXDUQO-HSZRJFAPSA-N 1 1 431.536 6.353 50 0 IKAAMO Cc1cccc(N[C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)c2ccccc2)[nH+]1 ZINC000038551041 556614642 /nfs/dbraw/zinc/61/46/42/556614642.db2.gz WZSXJVAYIVWABB-DEOSSOPVSA-N 1 1 443.572 6.377 50 0 IKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000005044141 556627142 /nfs/dbraw/zinc/62/71/42/556627142.db2.gz YWGHDLAHDZQWFG-IBGZPJMESA-N 1 1 429.992 5.354 50 0 IKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)NC4CCCCCCC4)C3)c(C)o2)cc1 ZINC000005055892 556627588 /nfs/dbraw/zinc/62/75/88/556627588.db2.gz CNRSWHKAKMCBJK-HSZRJFAPSA-N 1 1 437.628 5.654 50 0 IKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000005056189 556628007 /nfs/dbraw/zinc/62/80/07/556628007.db2.gz AFCDIWFPIZGVAJ-IBGZPJMESA-N 1 1 429.992 5.354 50 0 IKAAMO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(OC)c1OC ZINC000039479203 556629249 /nfs/dbraw/zinc/62/92/49/556629249.db2.gz DYIJWMHLSHPQJV-KRWDZBQOSA-N 1 1 431.536 5.211 50 0 IKAAMO Cc1ccc(N(C(=O)c2ccccc2F)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587624 556645943 /nfs/dbraw/zinc/64/59/43/556645943.db2.gz SAJGWYCRTVHEKZ-UHFFFAOYSA-N 1 1 438.493 5.724 50 0 IKAAMO Cc1ccc(C(=O)N(c2cccc(C)c2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587947 556645949 /nfs/dbraw/zinc/64/59/49/556645949.db2.gz ZWHLKQBBYKFXQG-UHFFFAOYSA-N 1 1 434.530 5.893 50 0 IKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)c2ccccc2)C(C)C)[C@H](c2ccccc2C)C1 ZINC000247974553 556653718 /nfs/dbraw/zinc/65/37/18/556653718.db2.gz FGWTXUFTMJQVOO-AZGAKELHSA-N 1 1 446.660 6.131 50 0 IKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccccc3)C(C)C)[C@H](c3ccccc3C)C2)oc1C ZINC000248018565 556657543 /nfs/dbraw/zinc/65/75/43/556657543.db2.gz TXZOYSCXCOPWJM-LBNVMWSVSA-N 1 1 444.619 5.971 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000043005001 556660805 /nfs/dbraw/zinc/66/08/05/556660805.db2.gz XZQQWSCOYRNXPN-SFHVURJKSA-N 1 1 445.485 5.492 50 0 IKAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000043005005 556660904 /nfs/dbraw/zinc/66/09/04/556660904.db2.gz XZQQWSCOYRNXPN-GOSISDBHSA-N 1 1 445.485 5.492 50 0 IKAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 ZINC000043125058 556661177 /nfs/dbraw/zinc/66/11/77/556661177.db2.gz QQJULMBGCKMTGL-QGZVFWFLSA-N 1 1 441.959 5.136 50 0 IKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccco2)C[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000248256723 556677659 /nfs/dbraw/zinc/67/76/59/556677659.db2.gz UZLQUDHJFTYUQQ-BVAGGSTKSA-N 1 1 434.555 5.433 50 0 IKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC([C@@H](O)c2ccccn2)CC1 ZINC000019147424 556707038 /nfs/dbraw/zinc/70/70/38/556707038.db2.gz NWRTZBYKDZKCLG-OAQYLSRUSA-N 1 1 431.458 5.009 50 0 IKAAMO Cc1cc(C(=O)NCC[N@H+](C)Cc2ccccc2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036833 556719676 /nfs/dbraw/zinc/71/96/76/556719676.db2.gz UDTKAEALYZYEOO-UHFFFAOYSA-N 1 1 427.523 5.211 50 0 IKAAMO CC(=O)Nc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000055166251 556736356 /nfs/dbraw/zinc/73/63/56/556736356.db2.gz GNEYUFAQVQXLDT-QFIPXVFZSA-N 1 1 447.545 5.050 50 0 IKAAMO CC(=O)Nc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000055166251 556736358 /nfs/dbraw/zinc/73/63/58/556736358.db2.gz GNEYUFAQVQXLDT-QFIPXVFZSA-N 1 1 447.545 5.050 50 0 IKAAMO CC(=O)Nc1ccc(C[N@H+](C)C[C@@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000055166251 556736360 /nfs/dbraw/zinc/73/63/60/556736360.db2.gz GNEYUFAQVQXLDT-QFIPXVFZSA-N 1 1 447.545 5.050 50 0 IKAAMO CC(=O)Nc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000055166251 556736362 /nfs/dbraw/zinc/73/63/62/556736362.db2.gz GNEYUFAQVQXLDT-QFIPXVFZSA-N 1 1 447.545 5.050 50 0 IKAAMO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c(C)c1 ZINC000055537535 556741976 /nfs/dbraw/zinc/74/19/76/556741976.db2.gz VZNBGPVWSFFBMO-UHFFFAOYSA-N 1 1 433.983 5.531 50 0 IKAAMO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4ccc5ccccc5c4)CC3)ccc21 ZINC000019369765 556747397 /nfs/dbraw/zinc/74/73/97/556747397.db2.gz VNPXOFVVKBCCDJ-UHFFFAOYSA-N 1 1 433.599 6.285 50 0 IKAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000058160428 556764342 /nfs/dbraw/zinc/76/43/42/556764342.db2.gz ASIJORRVWBKIIA-VWLOTQADSA-N 1 1 427.548 5.026 50 0 IKAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058164487 556766490 /nfs/dbraw/zinc/76/64/90/556766490.db2.gz KDHVDEPHRNYAJC-DEOSSOPVSA-N 1 1 445.563 5.995 50 0 IKAAMO CC(C)[C@H](NC(=O)C1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1ccc(F)cc1 ZINC000058172375 556768611 /nfs/dbraw/zinc/76/86/11/556768611.db2.gz DAOYOJBNQHCLHK-DEOSSOPVSA-N 1 1 435.543 5.206 50 0 IKAAMO C[N@H+](Cc1cccc(Cl)c1Cl)Cn1ccc(=O)c2cccc(Br)c21 ZINC000058377550 556783726 /nfs/dbraw/zinc/78/37/26/556783726.db2.gz FWJRFWNZJHLRBP-UHFFFAOYSA-N 1 1 426.141 5.160 50 0 IKAAMO CCCCCc1ccc(OCCCC[N@H+]2CCc3c(ncn3C)C2)c(CCCCC)c1 ZINC000005397764 556793288 /nfs/dbraw/zinc/79/32/88/556793288.db2.gz BEBYTTNNHUSWQF-UHFFFAOYSA-N 1 1 425.661 6.103 50 0 IKAAMO c1cnn(-c2cccc(CN(Cc3cccnc3)C[C@@H]3CCC[N@H+](C4CCCCC4)C3)c2)c1 ZINC000067846710 556847375 /nfs/dbraw/zinc/84/73/75/556847375.db2.gz DNYQGOODPLIZLG-SANMLTNESA-N 1 1 443.639 5.314 50 0 IKAAMO Cc1cccc(NC(=O)CCC2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000067955537 556848061 /nfs/dbraw/zinc/84/80/61/556848061.db2.gz IPPCUTBJEDDYCB-UHFFFAOYSA-N 1 1 438.959 5.329 50 0 IKAAMO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1C ZINC000033077520 556854536 /nfs/dbraw/zinc/85/45/36/556854536.db2.gz WGGNRBZCBJSLOH-UHFFFAOYSA-N 1 1 433.602 5.882 50 0 IKAAMO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1C ZINC000033077520 556854539 /nfs/dbraw/zinc/85/45/39/556854539.db2.gz WGGNRBZCBJSLOH-UHFFFAOYSA-N 1 1 433.602 5.882 50 0 IKAAMO O=C(Cc1c2ccccc2[nH]c1Sc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033116285 556862082 /nfs/dbraw/zinc/86/20/82/556862082.db2.gz PSEIDZCYCBWGND-UHFFFAOYSA-N 1 1 441.600 5.206 50 0 IKAAMO Cc1cccc(-c2cc(Nc3cccc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)c3)ncn2)c1 ZINC000033260950 556897635 /nfs/dbraw/zinc/89/76/35/556897635.db2.gz IOLGBRKLLUWMDL-OAQYLSRUSA-N 1 1 443.595 5.190 50 0 IKAAMO Cc1ccc(CSCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019800362 556917450 /nfs/dbraw/zinc/91/74/50/556917450.db2.gz BWBPBZDKXWVZSS-UHFFFAOYSA-N 1 1 430.617 5.217 50 0 IKAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019823596 556925135 /nfs/dbraw/zinc/92/51/35/556925135.db2.gz YFANGJUYIWPDDQ-UHFFFAOYSA-N 1 1 448.994 5.431 50 0 IKAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cc4c(cc3Cl)OCO4)C2)c(F)c1 ZINC000019838968 556929124 /nfs/dbraw/zinc/92/91/24/556929124.db2.gz NSGANBICGBUAJI-CYBMUJFWSA-N 1 1 431.870 5.117 50 0 IKAAMO O=C(c1ccc(-c2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019849727 556930429 /nfs/dbraw/zinc/93/04/29/556930429.db2.gz XLKVMADPKSYFGR-UHFFFAOYSA-N 1 1 432.567 5.901 50 0 IKAAMO CCc1cc([C@H](c2cccc(F)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880698 556937068 /nfs/dbraw/zinc/93/70/68/556937068.db2.gz MJAQOJALZGXRLN-QHCPKHFHSA-N 1 1 437.584 5.039 50 0 IKAAMO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3Cl)CC2)cc1Cl ZINC000019908860 556942740 /nfs/dbraw/zinc/94/27/40/556942740.db2.gz BOTZTPZHUIUQLN-FQEVSTJZSA-N 1 1 445.390 5.017 50 0 IKAAMO Cc1ccccc1CSCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020036837 556970548 /nfs/dbraw/zinc/97/05/48/556970548.db2.gz IJGLKMSKVDPCAD-UHFFFAOYSA-N 1 1 430.617 5.217 50 0 IKAAMO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc1CC2 ZINC000033266760 556978042 /nfs/dbraw/zinc/97/80/42/556978042.db2.gz JTSXWFJUTIWCKJ-SFHVURJKSA-N 1 1 448.636 5.002 50 0 IKAAMO CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020065107 556978191 /nfs/dbraw/zinc/97/81/91/556978191.db2.gz MHTFTVGVBRWNJU-UHFFFAOYSA-N 1 1 447.629 5.426 50 0 IKAAMO CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[N@H+](Cc1ccccc1)C3 ZINC000020065107 556978194 /nfs/dbraw/zinc/97/81/94/556978194.db2.gz MHTFTVGVBRWNJU-UHFFFAOYSA-N 1 1 447.629 5.426 50 0 IKAAMO Cc1c(C)n(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000020103007 556980744 /nfs/dbraw/zinc/98/07/44/556980744.db2.gz SXRWXQKSDZTXCD-UHFFFAOYSA-N 1 1 437.587 5.306 50 0 IKAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268806 556986139 /nfs/dbraw/zinc/98/61/39/556986139.db2.gz CBYAKKQEOXRGQK-UHFFFAOYSA-N 1 1 439.968 5.107 50 0 IKAAMO Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Br ZINC000020347250 557008721 /nfs/dbraw/zinc/00/87/21/557008721.db2.gz SYLKNNIABJGXSM-UHFFFAOYSA-N 1 1 449.392 5.305 50 0 IKAAMO CCCCCOc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347267 557009237 /nfs/dbraw/zinc/00/92/37/557009237.db2.gz MONQEJSEXVZTOD-UHFFFAOYSA-N 1 1 442.603 5.803 50 0 IKAAMO C[C@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020386545 557012413 /nfs/dbraw/zinc/01/24/13/557012413.db2.gz USEVJXUDAHBZHA-GAQQMNMRSA-N 1 1 430.342 5.150 50 0 IKAAMO C[C@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020386532 557012431 /nfs/dbraw/zinc/01/24/31/557012431.db2.gz USEVJXUDAHBZHA-JQOQJDEVSA-N 1 1 430.342 5.150 50 0 IKAAMO Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000020407638 557013843 /nfs/dbraw/zinc/01/38/43/557013843.db2.gz RWJZGZRBFTVMFV-UHFFFAOYSA-N 1 1 449.598 5.785 50 0 IKAAMO Cc1cc[nH+]c(N[C@H](c2cccs2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)c1 ZINC000043220772 557022817 /nfs/dbraw/zinc/02/28/17/557022817.db2.gz MMWUPEHSAJYZSN-JOCHJYFZSA-N 1 1 449.601 6.439 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2-c2nc3ccccc3s2)C1 ZINC000017288783 557045658 /nfs/dbraw/zinc/04/56/58/557045658.db2.gz PKZSJVYVXVNBIG-UHFFFAOYSA-N 1 1 447.629 6.272 50 0 IKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2-c2nc3ccccc3s2)C1 ZINC000017288783 557045664 /nfs/dbraw/zinc/04/56/64/557045664.db2.gz PKZSJVYVXVNBIG-UHFFFAOYSA-N 1 1 447.629 6.272 50 0 IKAAMO Cc1cccc(C)c1OC1CC[NH+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 ZINC000048312250 557059166 /nfs/dbraw/zinc/05/91/66/557059166.db2.gz KKWZUPZRQNJSOE-UHFFFAOYSA-N 1 1 445.588 5.083 50 0 IKAAMO O=C(CC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023805872 557117385 /nfs/dbraw/zinc/11/73/85/557117385.db2.gz JBWFDLZWWLYFAJ-UHFFFAOYSA-N 1 1 428.620 5.527 50 0 IKAAMO Fc1ccc(OC2=CC[N@@H+](C[C@H]3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1 ZINC000095918258 557161574 /nfs/dbraw/zinc/16/15/74/557161574.db2.gz FYZQRYJEDDUFJB-SANMLTNESA-N 1 1 431.507 5.111 50 0 IKAAMO COc1ccccc1OC1=CC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000095918158 557161704 /nfs/dbraw/zinc/16/17/04/557161704.db2.gz NUKWXOMZOQQNJY-UHFFFAOYSA-N 1 1 449.541 6.554 50 0 IKAAMO c1coc(CNc2[nH+]cnc3c2c(-c2ccccc2)c(-c2ccccc2)n3Cc2ccco2)c1 ZINC000000728984 557162492 /nfs/dbraw/zinc/16/24/92/557162492.db2.gz UCYFSUCPWFWJKZ-UHFFFAOYSA-N 1 1 446.510 6.612 50 0 IKAAMO Fc1ccc(OCc2nc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)cs2)cc1 ZINC000024971438 557183923 /nfs/dbraw/zinc/18/39/23/557183923.db2.gz LBSGWBCBPSXUBA-INIZCTEOSA-N 1 1 439.581 5.851 50 0 IKAAMO Fc1ccc(OCc2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)cs2)cc1 ZINC000024971438 557183927 /nfs/dbraw/zinc/18/39/27/557183927.db2.gz LBSGWBCBPSXUBA-INIZCTEOSA-N 1 1 439.581 5.851 50 0 IKAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000096279964 557193816 /nfs/dbraw/zinc/19/38/16/557193816.db2.gz PVSXJQQYPSBHFU-RBUKOAKNSA-N 1 1 439.987 5.866 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000096279964 557193821 /nfs/dbraw/zinc/19/38/21/557193821.db2.gz PVSXJQQYPSBHFU-RBUKOAKNSA-N 1 1 439.987 5.866 50 0 IKAAMO CC(C)[C@H](C)[N@H+](Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000096279965 557193987 /nfs/dbraw/zinc/19/39/87/557193987.db2.gz PVSXJQQYPSBHFU-OALUTQOASA-N 1 1 439.987 5.866 50 0 IKAAMO CC(C)[C@H](C)[N@@H+](Cc1nc(C(=O)N[C@@H](C)c2ccccc2)co1)Cc1ccc(Cl)cc1 ZINC000096279965 557193990 /nfs/dbraw/zinc/19/39/90/557193990.db2.gz PVSXJQQYPSBHFU-OALUTQOASA-N 1 1 439.987 5.866 50 0 IKAAMO C[N@H+](CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000025393135 557207661 /nfs/dbraw/zinc/20/76/61/557207661.db2.gz GLLHTZZXMONJPB-MUUNZHRXSA-N 1 1 433.555 5.650 50 0 IKAAMO C[N@@H+](CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1)Cc1ccccc1 ZINC000025393135 557207664 /nfs/dbraw/zinc/20/76/64/557207664.db2.gz GLLHTZZXMONJPB-MUUNZHRXSA-N 1 1 433.555 5.650 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023316038 557214537 /nfs/dbraw/zinc/21/45/37/557214537.db2.gz AJTURDGWMCWAPP-SFHVURJKSA-N 1 1 436.987 5.391 50 0 IKAAMO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023316038 557214540 /nfs/dbraw/zinc/21/45/40/557214540.db2.gz AJTURDGWMCWAPP-SFHVURJKSA-N 1 1 436.987 5.391 50 0 IKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023316038 557214541 /nfs/dbraw/zinc/21/45/41/557214541.db2.gz AJTURDGWMCWAPP-SFHVURJKSA-N 1 1 436.987 5.391 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000023316035 557214592 /nfs/dbraw/zinc/21/45/92/557214592.db2.gz AJTURDGWMCWAPP-GOSISDBHSA-N 1 1 436.987 5.391 50 0 IKAAMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023316035 557214593 /nfs/dbraw/zinc/21/45/93/557214593.db2.gz AJTURDGWMCWAPP-GOSISDBHSA-N 1 1 436.987 5.391 50 0 IKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023316035 557214597 /nfs/dbraw/zinc/21/45/97/557214597.db2.gz AJTURDGWMCWAPP-GOSISDBHSA-N 1 1 436.987 5.391 50 0 IKAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000025575462 557215236 /nfs/dbraw/zinc/21/52/36/557215236.db2.gz LJSOACZAHXWTPC-XZOQPEGZSA-N 1 1 447.325 5.798 50 0 IKAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 ZINC000026121196 557235195 /nfs/dbraw/zinc/23/51/95/557235195.db2.gz MCYSPACNQPUAJB-UHFFFAOYSA-N 1 1 440.975 5.021 50 0 IKAAMO COc1ccc(Cl)cc1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000072265270 557250421 /nfs/dbraw/zinc/25/04/21/557250421.db2.gz XKYMLGBFFVIOKD-SANMLTNESA-N 1 1 448.994 5.513 50 0 IKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc12)CC1CC1 ZINC000023322609 557276219 /nfs/dbraw/zinc/27/62/19/557276219.db2.gz OYFRPFMLXNRADM-UHFFFAOYSA-N 1 1 444.406 6.392 50 0 IKAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023329326 557339060 /nfs/dbraw/zinc/33/90/60/557339060.db2.gz JPOIPNLXNVALCT-GOSISDBHSA-N 1 1 443.378 5.265 50 0 IKAAMO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023329326 557339064 /nfs/dbraw/zinc/33/90/64/557339064.db2.gz JPOIPNLXNVALCT-GOSISDBHSA-N 1 1 443.378 5.265 50 0 IKAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000023329326 557339069 /nfs/dbraw/zinc/33/90/69/557339069.db2.gz JPOIPNLXNVALCT-GOSISDBHSA-N 1 1 443.378 5.265 50 0 IKAAMO COc1cccc(-c2cc(-c3ccc(C(=O)NC4CC(C)(C)[NH+](C)C(C)(C)C4)cc3)n[nH]2)c1 ZINC000023331871 557343955 /nfs/dbraw/zinc/34/39/55/557343955.db2.gz CGMCKFPUICNDPC-UHFFFAOYSA-N 1 1 446.595 5.134 50 0 IKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000023332388 557344611 /nfs/dbraw/zinc/34/46/11/557344611.db2.gz FSSXBKMMLFPUPQ-DEOSSOPVSA-N 1 1 439.386 5.849 50 0 IKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cc1 ZINC000023333229 557347078 /nfs/dbraw/zinc/34/70/78/557347078.db2.gz VESXKSBGMBVWDL-XMMPIXPASA-N 1 1 439.481 5.351 50 0 IKAAMO CC(C)C[N@H+](CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1ccccc1F ZINC000004951501 557414816 /nfs/dbraw/zinc/41/48/16/557414816.db2.gz OXXNNHAYRGBGES-UHFFFAOYSA-N 1 1 426.507 5.245 50 0 IKAAMO CC(C)C[N@@H+](CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)Cc1ccccc1F ZINC000004951501 557414818 /nfs/dbraw/zinc/41/48/18/557414818.db2.gz OXXNNHAYRGBGES-UHFFFAOYSA-N 1 1 426.507 5.245 50 0 IKAAMO CC(=O)N(Cc1ccc(F)cc1)C[C@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000105042919 557459187 /nfs/dbraw/zinc/45/91/87/557459187.db2.gz AGZRYJRNGBYATC-XRKRLSELSA-N 1 1 444.594 5.707 50 0 IKAAMO CC(=O)N(Cc1ccc(F)cc1)C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000169677835 557460600 /nfs/dbraw/zinc/46/06/00/557460600.db2.gz AGZRYJRNGBYATC-LMSSTIIKSA-N 1 1 444.594 5.707 50 0 IKAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000104961403 557469437 /nfs/dbraw/zinc/46/94/37/557469437.db2.gz VBAFMKZWDHNJIH-WOJBJXKFSA-N 1 1 435.568 5.221 50 0 IKAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)N[C@H](C)c3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000104961403 557469441 /nfs/dbraw/zinc/46/94/41/557469441.db2.gz VBAFMKZWDHNJIH-WOJBJXKFSA-N 1 1 435.568 5.221 50 0 IKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NC4CC4)cc3[C@H]2c2ccccc2)c1 ZINC000105022697 557473106 /nfs/dbraw/zinc/47/31/06/557473106.db2.gz ACMDUCRFEHHFLQ-LYZGTLIUSA-N 1 1 440.587 5.189 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042022 557473514 /nfs/dbraw/zinc/47/35/14/557473514.db2.gz XPMZOHXHEZSRQC-NVQXNPDNSA-N 1 1 433.571 5.229 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccsc2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105041770 557473532 /nfs/dbraw/zinc/47/35/32/557473532.db2.gz JTQNFLGWCQNANH-AHWVRZQESA-N 1 1 432.633 5.823 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccccc3)C(C)C)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000105042536 557473579 /nfs/dbraw/zinc/47/35/79/557473579.db2.gz GKXFADCWXQLVNI-FQLXRVMXSA-N 1 1 440.631 6.070 50 0 IKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccco2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042014 557473637 /nfs/dbraw/zinc/47/36/37/557473637.db2.gz RYCIYFBAXZVXOO-NVQXNPDNSA-N 1 1 434.555 5.494 50 0 IKAAMO O=C(Nc1ccc(C(=O)OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1)c1ccc(Cl)cc1 ZINC000224056263 557552694 /nfs/dbraw/zinc/55/26/94/557552694.db2.gz ASTJQGWCDYKJKV-KNQAVFIVSA-N 1 1 426.944 5.014 50 0 IKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(OC)c2)c(NC(=O)c2ccco2)s1 ZINC000038547107 557591916 /nfs/dbraw/zinc/59/19/16/557591916.db2.gz YUOLVDSBNIMCHU-QHCPKHFHSA-N 1 1 447.560 6.069 50 0 IKAAMO O=C(Nc1cccc(CNC[C@H](c2cccs2)[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000024981473 557822241 /nfs/dbraw/zinc/82/22/41/557822241.db2.gz RFLKNHGOPZVHLK-JOCHJYFZSA-N 1 1 440.012 5.581 50 0 IKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC ZINC000013517308 557836294 /nfs/dbraw/zinc/83/62/94/557836294.db2.gz INXGAHHQCIHNOR-SHHHLKPLSA-N 1 1 443.631 6.897 50 0 IKAAMO C[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)C[N@@H+](C2CCCCC2)[C@@H]1c1ccccc1 ZINC000013763698 557836583 /nfs/dbraw/zinc/83/65/83/557836583.db2.gz BPODYCZWRPAIBO-LSUPZWPOSA-N 1 1 437.627 7.295 50 0 IKAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc(OC)c1OC ZINC000002330753 560186797 /nfs/dbraw/zinc/18/67/97/560186797.db2.gz FHCDSSAQYVTDRX-DNVKUUNQSA-N 1 1 445.987 5.234 50 0 biogenic,in-vitro IKAAMO Cc1cc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)ccc1Cl ZINC000003662371 562937594 /nfs/dbraw/zinc/93/75/94/562937594.db2.gz NJXDLUXRNDQKLM-QGZVFWFLSA-N 1 1 436.090 6.031 50 0 IKAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 ZINC000008606712 562957121 /nfs/dbraw/zinc/95/71/21/562957121.db2.gz ANTXJKXXWZYQQK-UHFFFAOYSA-N 1 1 448.611 5.491 50 0 IKAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)c(C)n1 ZINC000012072995 562980711 /nfs/dbraw/zinc/98/07/11/562980711.db2.gz RTFURTSIKJGZHS-QFIPXVFZSA-N 1 1 441.579 5.210 50 0 IKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000017113384 563021357 /nfs/dbraw/zinc/02/13/57/563021357.db2.gz CSWIFIAYQBCLTD-UHFFFAOYSA-N 1 1 439.650 6.310 50 0 IKAAMO O[C@H](C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2F)=NO1)c1ccccc1 ZINC000104982982 568623872 /nfs/dbraw/zinc/62/38/72/568623872.db2.gz IFAYMVSPTMFJPH-PXDATVDWSA-N 1 1 438.930 5.208 50 0 IKAAMO C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000013100900 568624787 /nfs/dbraw/zinc/62/47/87/568624787.db2.gz YVMWNDCPJMVOFO-VQTJNVASSA-N 1 1 448.636 5.493 50 0 IKAAMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000003293192 568745349 /nfs/dbraw/zinc/74/53/49/568745349.db2.gz SPQAZJOZRLEVSG-NRFANRHFSA-N 1 1 429.303 5.192 50 0 IKAAMO Cc1cccc(N2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]2C)c1 ZINC000012551597 568745768 /nfs/dbraw/zinc/74/57/68/568745768.db2.gz JLYCXJWRLSBINT-PKTZIBPZSA-N 1 1 443.591 5.112 50 0 IKAAMO Cc1cccc(N2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]2C)c1 ZINC000012551597 568745770 /nfs/dbraw/zinc/74/57/70/568745770.db2.gz JLYCXJWRLSBINT-PKTZIBPZSA-N 1 1 443.591 5.112 50 0 IKAAMO COc1cccc(C[NH2+][C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c1 ZINC000003454218 568749884 /nfs/dbraw/zinc/74/98/84/568749884.db2.gz HDURPLSRIYOWNE-OAQYLSRUSA-N 1 1 448.872 5.837 50 0 IKAAMO Cc1nc(-c2cccc(NC(=O)NCc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c2)oc1C ZINC000084061818 568790855 /nfs/dbraw/zinc/79/08/55/568790855.db2.gz RFQHWHJURFGLCC-SFHVURJKSA-N 1 1 432.568 5.512 50 0 IKAAMO CCOC(=O)c1c2cc(OC)c(-c3cccnc3)cc2n(C2CCCCC2)c1C[NH+](C)C ZINC000085393762 568817068 /nfs/dbraw/zinc/81/70/68/568817068.db2.gz KEHSDXPNQAPAFM-UHFFFAOYSA-N 1 1 435.568 5.455 50 0 IKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1C ZINC000001448857 568817502 /nfs/dbraw/zinc/81/75/02/568817502.db2.gz OLXKBMWTPOHITG-OAQYLSRUSA-N 1 1 444.000 5.200 50 0 IKAAMO Cc1nn(-c2ccccc2)c2sc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)cc12 ZINC000015821583 568839844 /nfs/dbraw/zinc/83/98/44/568839844.db2.gz OCEUJAQJMUCOBF-UHFFFAOYSA-N 1 1 446.620 5.426 50 0 IKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 ZINC000015823469 568840163 /nfs/dbraw/zinc/84/01/63/568840163.db2.gz GFJCQNQOCYNWRD-UHFFFAOYSA-N 1 1 434.970 5.033 50 0 IKAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3cc(Cl)ccc3[nH]2)cc1OC ZINC000015862346 568848623 /nfs/dbraw/zinc/84/86/23/568848623.db2.gz UPBXHMBZBWLRKI-UHFFFAOYSA-N 1 1 448.950 5.401 50 0 IKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)N1CCCc3ccccc31)[C@H]2c1ccccc1 ZINC000015864854 568850288 /nfs/dbraw/zinc/85/02/88/568850288.db2.gz FTEOHRNJMDCPCH-SANMLTNESA-N 1 1 430.617 5.546 50 0 IKAAMO CC[C@H](C)[C@H]([NH3+])C(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1Cl)c2=O ZINC000026772129 568916732 /nfs/dbraw/zinc/91/67/32/568916732.db2.gz FRDOVDLKLQQWCJ-WLRWDXFRSA-N 1 1 436.291 5.171 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2)c1C ZINC000001890787 568917589 /nfs/dbraw/zinc/91/75/89/568917589.db2.gz VJQQROZUWQCSCJ-DEOSSOPVSA-N 1 1 427.573 6.522 50 0 IKAAMO CC(C)[C@@H](C)[N@H+](Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1ccc(Cl)cc1 ZINC000036069062 568945483 /nfs/dbraw/zinc/94/54/83/568945483.db2.gz JFMTYOVMAGHEHH-QGZVFWFLSA-N 1 1 443.950 5.444 50 0 IKAAMO CC(C)[C@@H](C)[N@@H+](Cc1nc(C(=O)NCc2ccc(F)cc2)co1)Cc1ccc(Cl)cc1 ZINC000036069062 568945484 /nfs/dbraw/zinc/94/54/84/568945484.db2.gz JFMTYOVMAGHEHH-QGZVFWFLSA-N 1 1 443.950 5.444 50 0 IKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)c(C)c1 ZINC000036099018 568951996 /nfs/dbraw/zinc/95/19/96/568951996.db2.gz RRJCIWRXKVJOTI-DEOSSOPVSA-N 1 1 427.947 5.538 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(C)c3C)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801307 568960962 /nfs/dbraw/zinc/96/09/62/568960962.db2.gz NUCJAIRMRPXDDT-UHFFFAOYSA-N 1 1 430.556 5.780 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801391 568960985 /nfs/dbraw/zinc/96/09/85/568960985.db2.gz TZVNNNGVPXAGOR-UHFFFAOYSA-N 1 1 430.556 6.226 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801478 568961014 /nfs/dbraw/zinc/96/10/14/568961014.db2.gz HQXWPZINPKPIEO-UHFFFAOYSA-N 1 1 438.535 5.926 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800862 568961213 /nfs/dbraw/zinc/96/12/13/568961213.db2.gz JTAXFENCTQBAEA-UHFFFAOYSA-N 1 1 442.350 5.688 50 0 IKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800898 568961232 /nfs/dbraw/zinc/96/12/32/568961232.db2.gz CXBCHJPSXKVLME-UHFFFAOYSA-N 1 1 425.895 5.174 50 0 IKAAMO COc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCCC3)n2)cc1 ZINC000064801486 568961439 /nfs/dbraw/zinc/96/14/39/568961439.db2.gz RHWMJWWHBKKADD-UHFFFAOYSA-N 1 1 432.528 5.172 50 0 IKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)c1 ZINC000064801664 568961491 /nfs/dbraw/zinc/96/14/91/568961491.db2.gz UQYAEUBCKLHUSX-UHFFFAOYSA-N 1 1 444.583 6.534 50 0 IKAAMO O[C@H](C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1)c1ccccc1 ZINC000036146312 568962252 /nfs/dbraw/zinc/96/22/52/568962252.db2.gz RXGRISKPTXXVQF-UKILVPOCSA-N 1 1 438.930 5.208 50 0 IKAAMO COCCC[N@@H+](Cc1ccc(C(O)(CC2CCC2)CC2CCC2)o1)Cc1cccs1 ZINC000036154670 568964688 /nfs/dbraw/zinc/96/46/88/568964688.db2.gz GQXLURLCZYSXCW-UHFFFAOYSA-N 1 1 431.642 5.948 50 0 IKAAMO Cc1ccsc1C[N@@H+]1C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000169679927 568990481 /nfs/dbraw/zinc/99/04/81/568990481.db2.gz QHFBKWCRDQTFGI-FYYLOGMGSA-N 1 1 430.633 5.552 50 0 IKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)C3CCCC3)C(C)C)[C@@H](c3ccc(F)cc3)C2)o1 ZINC000169679825 568991192 /nfs/dbraw/zinc/99/11/92/568991192.db2.gz UGQGMBVZTJYOJV-WIOPSUGQSA-N 1 1 426.576 5.370 50 0 IKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@H](C)O ZINC000036301883 568993960 /nfs/dbraw/zinc/99/39/60/568993960.db2.gz OPRGQAFSMZTEGP-KRWDZBQOSA-N 1 1 443.975 5.228 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1 ZINC000036303903 568994250 /nfs/dbraw/zinc/99/42/50/568994250.db2.gz HYDAXISBYPZFBV-JOCHJYFZSA-N 1 1 437.584 5.355 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036304785 568994655 /nfs/dbraw/zinc/99/46/55/568994655.db2.gz ZZKLITGBAFFVAD-DEOSSOPVSA-N 1 1 449.595 5.032 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@H](O)COC(C)C)C1CC1 ZINC000036304785 568994658 /nfs/dbraw/zinc/99/46/58/568994658.db2.gz ZZKLITGBAFFVAD-DEOSSOPVSA-N 1 1 449.595 5.032 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036304788 568994757 /nfs/dbraw/zinc/99/47/57/568994757.db2.gz ZZKLITGBAFFVAD-XMMPIXPASA-N 1 1 449.595 5.032 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@H+](C[C@@H](O)COC(C)C)C1CC1 ZINC000036304788 568994758 /nfs/dbraw/zinc/99/47/58/568994758.db2.gz ZZKLITGBAFFVAD-XMMPIXPASA-N 1 1 449.595 5.032 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)C(C)C ZINC000036306093 568995462 /nfs/dbraw/zinc/99/54/62/568995462.db2.gz CKEUJNXPJXTBFR-OAQYLSRUSA-N 1 1 437.584 5.259 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CC(C)C)C[C@@H](C)O ZINC000036316456 568999808 /nfs/dbraw/zinc/99/98/08/568999808.db2.gz IFWLKBGIXGIKNV-LJQANCHMSA-N 1 1 425.548 5.205 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](C)O)[C@@H](C)CC ZINC000036316395 568999878 /nfs/dbraw/zinc/99/98/78/568999878.db2.gz FMQIQCHCXLBRLV-PMACEKPBSA-N 1 1 437.584 5.217 50 0 IKAAMO Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036340906 569078684 /nfs/dbraw/zinc/07/86/84/569078684.db2.gz CVKMSWOKOSTYOS-VWLOTQADSA-N 1 1 431.967 5.458 50 0 IKAAMO Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036340906 569078686 /nfs/dbraw/zinc/07/86/86/569078686.db2.gz CVKMSWOKOSTYOS-VWLOTQADSA-N 1 1 431.967 5.458 50 0 IKAAMO COc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036341020 569079111 /nfs/dbraw/zinc/07/91/11/569079111.db2.gz JTQQXFWNVWBIPC-VWLOTQADSA-N 1 1 447.966 5.158 50 0 IKAAMO COc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000036341020 569079113 /nfs/dbraw/zinc/07/91/13/569079113.db2.gz JTQQXFWNVWBIPC-VWLOTQADSA-N 1 1 447.966 5.158 50 0 IKAAMO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2Cl)CC1 ZINC000036341000 569079128 /nfs/dbraw/zinc/07/91/28/569079128.db2.gz KDJUJWYPXKBBFA-QFIPXVFZSA-N 1 1 430.379 5.403 50 0 IKAAMO COc1cccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341060 569079155 /nfs/dbraw/zinc/07/91/55/569079155.db2.gz ZSSVTTOPTXXYJL-VWLOTQADSA-N 1 1 447.966 5.158 50 0 IKAAMO COc1cccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341060 569079156 /nfs/dbraw/zinc/07/91/56/569079156.db2.gz ZSSVTTOPTXXYJL-VWLOTQADSA-N 1 1 447.966 5.158 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340986 569079172 /nfs/dbraw/zinc/07/91/72/569079172.db2.gz LVGFNJWEEPEFFM-SANMLTNESA-N 1 1 445.994 5.767 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340986 569079173 /nfs/dbraw/zinc/07/91/73/569079173.db2.gz LVGFNJWEEPEFFM-SANMLTNESA-N 1 1 445.994 5.767 50 0 IKAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036341195 569079220 /nfs/dbraw/zinc/07/92/20/569079220.db2.gz LQBYMMUAWXIERS-RUZDIDTESA-N 1 1 447.966 5.158 50 0 IKAAMO COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036341195 569079222 /nfs/dbraw/zinc/07/92/22/569079222.db2.gz LQBYMMUAWXIERS-RUZDIDTESA-N 1 1 447.966 5.158 50 0 IKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC(C)C ZINC000036341967 569079607 /nfs/dbraw/zinc/07/96/07/569079607.db2.gz GBWGOVTZPUKORX-JOCHJYFZSA-N 1 1 437.584 5.211 50 0 IKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](CC(C)C)C[C@@H](C)O ZINC000036341948 569079691 /nfs/dbraw/zinc/07/96/91/569079691.db2.gz MXIHQBJMGYJUDK-GOSISDBHSA-N 1 1 427.976 5.465 50 0 IKAAMO CCOc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036344169 569080039 /nfs/dbraw/zinc/08/00/39/569080039.db2.gz HATRIGRXRWXCQJ-RUZDIDTESA-N 1 1 449.595 5.036 50 0 IKAAMO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000036343977 569080073 /nfs/dbraw/zinc/08/00/73/569080073.db2.gz OMDFQWQMQLRULD-VWLOTQADSA-N 1 1 437.559 5.167 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344781 569080182 /nfs/dbraw/zinc/08/01/82/569080182.db2.gz UNEBXUDDNWGOMX-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344781 569080184 /nfs/dbraw/zinc/08/01/84/569080184.db2.gz UNEBXUDDNWGOMX-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344802 569080298 /nfs/dbraw/zinc/08/02/98/569080298.db2.gz KLYFRWKUDRBMEY-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344802 569080299 /nfs/dbraw/zinc/08/02/99/569080299.db2.gz KLYFRWKUDRBMEY-SANMLTNESA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c1 ZINC000036345016 569080447 /nfs/dbraw/zinc/08/04/47/569080447.db2.gz PFAHHAGKLMFRMJ-HHHXNRCGSA-N 1 1 425.576 5.422 50 0 IKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3C)C2)c1 ZINC000036345016 569080448 /nfs/dbraw/zinc/08/04/48/569080448.db2.gz PFAHHAGKLMFRMJ-HHHXNRCGSA-N 1 1 425.576 5.422 50 0 IKAAMO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346085 569080774 /nfs/dbraw/zinc/08/07/74/569080774.db2.gz KSFFZJWNFKOAMB-QFIPXVFZSA-N 1 1 437.559 5.485 50 0 IKAAMO Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)c(C)c1 ZINC000036345744 569080921 /nfs/dbraw/zinc/08/09/21/569080921.db2.gz YTYFOMBPHYXQLU-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO Cc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[N@H+](C)Cc2ccccc2)c(C)c1 ZINC000036345744 569080923 /nfs/dbraw/zinc/08/09/23/569080923.db2.gz YTYFOMBPHYXQLU-AREMUKBSSA-N 1 1 429.539 5.252 50 0 IKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346327 569081049 /nfs/dbraw/zinc/08/10/49/569081049.db2.gz CGWWVPRBYLKCMS-QHCPKHFHSA-N 1 1 437.559 5.628 50 0 IKAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1 ZINC000036346375 569081064 /nfs/dbraw/zinc/08/10/64/569081064.db2.gz OZNZNXHBYYQKNB-JOCHJYFZSA-N 1 1 425.548 5.485 50 0 IKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346112 569081158 /nfs/dbraw/zinc/08/11/58/569081158.db2.gz ALQOWNIJEQASPP-RUZDIDTESA-N 1 1 449.639 6.291 50 0 IKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)CC)CC1CC1 ZINC000036346540 569081431 /nfs/dbraw/zinc/08/14/31/569081431.db2.gz GCMMMCAJGHFVJT-QHCPKHFHSA-N 1 1 433.596 5.518 50 0 IKAAMO CCOc1cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347386 569081459 /nfs/dbraw/zinc/08/14/59/569081459.db2.gz KKZZVXKAXSFUSS-QHCPKHFHSA-N 1 1 430.470 5.607 50 0 IKAAMO CCOc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347386 569081461 /nfs/dbraw/zinc/08/14/61/569081461.db2.gz KKZZVXKAXSFUSS-QHCPKHFHSA-N 1 1 430.470 5.607 50 0 IKAAMO Clc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347527 569081551 /nfs/dbraw/zinc/08/15/51/569081551.db2.gz QMXDRLKPZSVNKS-HHHXNRCGSA-N 1 1 428.963 6.929 50 0 IKAAMO Clc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347527 569081553 /nfs/dbraw/zinc/08/15/53/569081553.db2.gz QMXDRLKPZSVNKS-HHHXNRCGSA-N 1 1 428.963 6.929 50 0 IKAAMO Clc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347526 569081630 /nfs/dbraw/zinc/08/16/30/569081630.db2.gz QMXDRLKPZSVNKS-MHZLTWQESA-N 1 1 428.963 6.929 50 0 IKAAMO Clc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036347526 569081631 /nfs/dbraw/zinc/08/16/31/569081631.db2.gz QMXDRLKPZSVNKS-MHZLTWQESA-N 1 1 428.963 6.929 50 0 IKAAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(C(C)C)cc2)c(OC)c1OC ZINC000036348544 569081718 /nfs/dbraw/zinc/08/17/18/569081718.db2.gz CPXULEDKHLOAAH-VWLOTQADSA-N 1 1 434.580 5.633 50 0 IKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)c(OC)c1OC ZINC000036348544 569081720 /nfs/dbraw/zinc/08/17/20/569081720.db2.gz CPXULEDKHLOAAH-VWLOTQADSA-N 1 1 434.580 5.633 50 0 IKAAMO C[N@@H+](C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@@H]1CCCc2ccccc21 ZINC000006906556 569105823 /nfs/dbraw/zinc/10/58/23/569105823.db2.gz SWALGPRZWCNYDD-LBNVMWSVSA-N 1 1 429.604 5.762 50 0 IKAAMO Cc1ccc(NC(=O)Nc2ccc3[nH+]c(-c4ccccc4)cc(N4CCOCC4)c3c2)cc1 ZINC000065320921 569136394 /nfs/dbraw/zinc/13/63/94/569136394.db2.gz SNRGBRLVKAIKHD-UHFFFAOYSA-N 1 1 438.531 5.691 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662103 569161001 /nfs/dbraw/zinc/16/10/01/569161001.db2.gz GRHRAEJAGOWHKT-PMACEKPBSA-N 1 1 445.991 5.749 50 0 IKAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ncc(-c2ccccc2Cl)o1 ZINC000089662103 569161002 /nfs/dbraw/zinc/16/10/02/569161002.db2.gz GRHRAEJAGOWHKT-PMACEKPBSA-N 1 1 445.991 5.749 50 0 IKAAMO CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000016837197 569162681 /nfs/dbraw/zinc/16/26/81/569162681.db2.gz ZUKSCUBIYVYPOI-UHFFFAOYSA-N 1 1 433.602 5.932 50 0 IKAAMO CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2 ZINC000016837197 569162682 /nfs/dbraw/zinc/16/26/82/569162682.db2.gz ZUKSCUBIYVYPOI-UHFFFAOYSA-N 1 1 433.602 5.932 50 0 IKAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)[nH+]1 ZINC000017012383 569170686 /nfs/dbraw/zinc/17/06/86/569170686.db2.gz CRYNRWKUAZHCAP-UHFFFAOYSA-N 1 1 449.558 5.158 50 0 IKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 ZINC000000638175 569180316 /nfs/dbraw/zinc/18/03/16/569180316.db2.gz DWPXVRNTXHVQOB-BJKOFHAPSA-N 1 1 426.907 5.453 50 0 IKAAMO C[C@@H](N[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252486075 569186569 /nfs/dbraw/zinc/18/65/69/569186569.db2.gz DPHYODNXHRBPLX-UWVAXJGDSA-N 1 1 444.501 5.317 50 0 IKAAMO Cc1ccc(C(=O)N(c2ccc(C)cc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587939 569202039 /nfs/dbraw/zinc/20/20/39/569202039.db2.gz ALEHOIXFWJICOO-UHFFFAOYSA-N 1 1 434.530 5.893 50 0 IKAAMO O=C(c1cccs1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587916 569202053 /nfs/dbraw/zinc/20/20/53/569202053.db2.gz JFKIKWHNMLGBAH-UHFFFAOYSA-N 1 1 430.495 5.477 50 0 IKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 ZINC000002251798 569214104 /nfs/dbraw/zinc/21/41/04/569214104.db2.gz PLRPYOYQYJRQAL-YADHBBJMSA-N 1 1 432.936 5.514 50 0 IKAAMO Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002254024 569216683 /nfs/dbraw/zinc/21/66/83/569216683.db2.gz QPEYPTRPRMVWMZ-GOTSBHOMSA-N 1 1 448.860 5.422 50 0 IKAAMO Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002254026 569216727 /nfs/dbraw/zinc/21/67/27/569216727.db2.gz QPEYPTRPRMVWMZ-XZOQPEGZSA-N 1 1 448.860 5.422 50 0 IKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000002256139 569216952 /nfs/dbraw/zinc/21/69/52/569216952.db2.gz LVQQGWHHVQFJNP-DHIUTWEWSA-N 1 1 430.870 5.283 50 0 IKAAMO C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000239235612 569268648 /nfs/dbraw/zinc/26/86/48/569268648.db2.gz WHUDWKMLMXDFHW-HZPDHXFCSA-N 1 1 443.588 5.077 50 0 IKAAMO C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@H]3C)c2C(=O)Nc2ccccc2F)C1 ZINC000239235612 569268650 /nfs/dbraw/zinc/26/86/50/569268650.db2.gz WHUDWKMLMXDFHW-HZPDHXFCSA-N 1 1 443.588 5.077 50 0 IKAAMO COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)cc1 ZINC000239297058 569268767 /nfs/dbraw/zinc/26/87/67/569268767.db2.gz DRLQYRAHNGPDIT-NFQMXDRXSA-N 1 1 441.575 5.401 50 0 IKAAMO C[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@H]1CCCc2ccccc21 ZINC000239412568 569268926 /nfs/dbraw/zinc/26/89/26/569268926.db2.gz SWALGPRZWCNYDD-NAKRPHOHSA-N 1 1 429.604 5.762 50 0 IKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1OC ZINC000245231688 569269578 /nfs/dbraw/zinc/26/95/78/569269578.db2.gz INXGAHHQCIHNOR-BETQZWDCSA-N 1 1 443.631 6.897 50 0 IKAAMO C[C@H]1CC[C@@H]2[C@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)OC[N@H+]2C1 ZINC000253594900 569273243 /nfs/dbraw/zinc/27/32/43/569273243.db2.gz GRMUAQMHJKQVFL-JJTRHFOMSA-N 1 1 427.673 5.629 50 0 biogenic IKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 ZINC000002418775 569301782 /nfs/dbraw/zinc/30/17/82/569301782.db2.gz FFTGOCHPKNQAEV-UHFFFAOYSA-N 1 1 432.571 7.026 50 0 IKAAMO COc1ccccc1C[N@@H+]1CCOc2c(cc(-c3cc(Cl)ccc3OC)cc2OC)C1 ZINC000055325705 569304388 /nfs/dbraw/zinc/30/43/88/569304388.db2.gz FMOLAHWLALKXDE-UHFFFAOYSA-N 1 1 439.939 5.427 50 0 IKAAMO COc1ccccc1C[N@H+]1CCOc2c(cc(-c3cc(Cl)ccc3OC)cc2OC)C1 ZINC000055325705 569304389 /nfs/dbraw/zinc/30/43/89/569304389.db2.gz FMOLAHWLALKXDE-UHFFFAOYSA-N 1 1 439.939 5.427 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000013058741 569308522 /nfs/dbraw/zinc/30/85/22/569308522.db2.gz FMZHLCDGPJECMI-NXMSCROESA-N 1 1 434.605 5.816 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000013058741 569308523 /nfs/dbraw/zinc/30/85/23/569308523.db2.gz FMZHLCDGPJECMI-NXMSCROESA-N 1 1 434.605 5.816 50 0 IKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013369089 569314770 /nfs/dbraw/zinc/31/47/70/569314770.db2.gz BYOVIIVOXMJYPS-KDURUIRLSA-N 1 1 439.003 5.126 50 0 IKAAMO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000078969118 569320742 /nfs/dbraw/zinc/32/07/42/569320742.db2.gz LOVRTXUDUVRQHC-MRXNPFEDSA-N 1 1 449.505 5.269 50 0 IKAAMO CCO[C@H]1C[C@@H]([NH2+]Cc2csc(N(C(C)=O)c3ccc(Cl)cc3)n2)C12CCCCC2 ZINC000078989987 569321451 /nfs/dbraw/zinc/32/14/51/569321451.db2.gz IWTVFJOUHWPWNG-RTWAWAEBSA-N 1 1 448.032 5.699 50 0 IKAAMO Cc1cccc2c(=O)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]c12 ZINC000019793688 569329458 /nfs/dbraw/zinc/32/94/58/569329458.db2.gz RFYLPSLHBNRAPH-UHFFFAOYSA-N 1 1 437.587 5.052 50 0 IKAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000019880296 569331643 /nfs/dbraw/zinc/33/16/43/569331643.db2.gz NTZSYEBPJSABIX-NRFANRHFSA-N 1 1 425.623 5.016 50 0 IKAAMO Cc1ccccc1[C@@H]1[NH2+][C@H](c2ccccc2C)[C@@H](c2ccccc2)C(=O)[C@@H]1c1ccccc1 ZINC000020115251 569335002 /nfs/dbraw/zinc/33/50/02/569335002.db2.gz GLGDFPUNSJTPGO-CSBHBGLHSA-N 1 1 431.579 6.826 50 0 IKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000020240959 569357858 /nfs/dbraw/zinc/35/78/58/569357858.db2.gz LRNYIUKQDXTQOQ-FQEVSTJZSA-N 1 1 444.019 5.745 50 0 IKAAMO CC[C@@H](C)[C@@H]([NH3+])C(=O)Oc1ccc2c(c1)occ(Oc1ccc(Cl)cc1Cl)c2=O ZINC000020411935 569364077 /nfs/dbraw/zinc/36/40/77/569364077.db2.gz FRDOVDLKLQQWCJ-NSPYISDASA-N 1 1 436.291 5.171 50 0 biogenic IKAAMO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[N@H+]3CCCC[C@H]3CCO)cc(=O)oc2c1C ZINC000095473925 569372504 /nfs/dbraw/zinc/37/25/04/569372504.db2.gz LRQLXFRGJMDLSR-FQEVSTJZSA-N 1 1 446.547 5.263 50 0 IKAAMO Cn1cc(C(=O)c2ccccc2)cc1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095933045 569375225 /nfs/dbraw/zinc/37/52/25/569375225.db2.gz OWFKCRRLJZKCAQ-UHFFFAOYSA-N 1 1 449.598 5.163 50 0 IKAAMO Cc1ccc(Nc2nc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc3occc32)cc1Cl ZINC000096323722 569395342 /nfs/dbraw/zinc/39/53/42/569395342.db2.gz QSQSWGGVIWCMBP-MRXNPFEDSA-N 1 1 440.975 5.385 50 0 IKAAMO Cc1ccc(Nc2nc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc3occc32)cc1Cl ZINC000096323719 569395358 /nfs/dbraw/zinc/39/53/58/569395358.db2.gz WKMFGFAXCXAREO-INIZCTEOSA-N 1 1 426.948 5.137 50 0 IKAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225688964 569407055 /nfs/dbraw/zinc/40/70/55/569407055.db2.gz SADNZVVNMPDTOQ-UHFFFAOYSA-N 1 1 441.984 5.028 50 0 IKAAMO Fc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000002715128 569417928 /nfs/dbraw/zinc/41/79/28/569417928.db2.gz ZHOWPIJDKQDKAG-UHFFFAOYSA-N 1 1 428.898 6.492 50 0 IKAAMO Cc1nc(-c2ccc(C[NH2+][C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)s2)cs1 ZINC000057312433 569430826 /nfs/dbraw/zinc/43/08/26/569430826.db2.gz IETJKYJAJNQXBS-XMMPIXPASA-N 1 1 447.629 6.266 50 0 IKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCC2)Nc1ccccc1OC(F)F ZINC000057323211 569431108 /nfs/dbraw/zinc/43/11/08/569431108.db2.gz YRSUKUQBKVSPNK-QFIPXVFZSA-N 1 1 428.504 5.156 50 0 IKAAMO CCN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)C1CCCCC1 ZINC000002975043 569433524 /nfs/dbraw/zinc/43/35/24/569433524.db2.gz HVHJZXKVSGGQKU-UHFFFAOYSA-N 1 1 445.010 7.208 50 0 IKAAMO C[C@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000002974919 569433534 /nfs/dbraw/zinc/43/35/34/569433534.db2.gz GGYIHUAHJDCRLH-GHTZIAJQSA-N 1 1 445.010 7.368 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCCC2)cc1Cl ZINC000002974942 569433556 /nfs/dbraw/zinc/43/35/56/569433556.db2.gz REDPAOSERFWMJE-UHFFFAOYSA-N 1 1 430.983 7.184 50 0 IKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccs2)cc1Cl ZINC000002974740 569433573 /nfs/dbraw/zinc/43/35/73/569433573.db2.gz HJSFXDXDHCEUHD-UHFFFAOYSA-N 1 1 430.964 6.723 50 0 IKAAMO CCOc1ccc(-c2cc(C(=O)NCCC[N@@H+](C)C3CCCCC3)c3ccccc3n2)cc1 ZINC000003044931 569438560 /nfs/dbraw/zinc/43/85/60/569438560.db2.gz QSYMZWBYEBRYIL-UHFFFAOYSA-N 1 1 445.607 5.685 50 0 IKAAMO CCOc1ccc(-c2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1 ZINC000003044946 569438577 /nfs/dbraw/zinc/43/85/77/569438577.db2.gz CJAGKBRBMHETMY-HXUWFJFHSA-N 1 1 431.580 5.295 50 0 IKAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(C)C)cc21 ZINC000003047633 569438686 /nfs/dbraw/zinc/43/86/86/569438686.db2.gz CKRNCZDDLDQSPM-UHFFFAOYSA-N 1 1 447.623 5.886 50 0 IKAAMO Cc1ccc([C@H]2C[N@H+](Cc3cccs3)C[C@H]2CN(C(=O)c2ccccc2)C(C)C)cc1 ZINC000230155842 569439602 /nfs/dbraw/zinc/43/96/02/569439602.db2.gz DONBNZOENJWJPE-AZGAKELHSA-N 1 1 432.633 5.823 50 0 IKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000003064044 569439674 /nfs/dbraw/zinc/43/96/74/569439674.db2.gz XEIGKRNCXUHHBF-ULJHMMPZSA-N 1 1 449.620 5.156 50 0 IKAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003363793 569448039 /nfs/dbraw/zinc/44/80/39/569448039.db2.gz VBXGOCLGQQNJCE-MRXNPFEDSA-N 1 1 434.380 5.274 50 0 IKAAMO COc1cccc(C[NH2+][C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 ZINC000003476718 569452231 /nfs/dbraw/zinc/45/22/31/569452231.db2.gz AREIIBMOMBLEJN-NRFANRHFSA-N 1 1 448.872 5.837 50 0 IKAAMO CCc1cc([C@H](c2ccc3c(c2)OCO3)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545944 569463287 /nfs/dbraw/zinc/46/32/87/569463287.db2.gz XOICEHIOLZCCCC-QFIPXVFZSA-N 1 1 438.549 5.460 50 0 IKAAMO CCc1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545921 569463310 /nfs/dbraw/zinc/46/33/10/569463310.db2.gz QXSAZXPMSRJTAR-OAQYLSRUSA-N 1 1 428.985 6.385 50 0 IKAAMO CCc1cc([C@H](c2ccccc2Cl)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545926 569463343 /nfs/dbraw/zinc/46/33/43/569463343.db2.gz XDFOKYZBXFRMIB-NRFANRHFSA-N 1 1 428.985 6.385 50 0 IKAAMO Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc3c2CCCC3)N2CC[NH+](C)CC2)cc1 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